# CP2K BASIS_TB_UZH
# Generated by tools/generate_tb_basis.py on 2026-05-15 10:45:45 UTC
#
# Derived from BASIS_TB. Most static TB basis blocks are expanded
# over all available GTH q-values found in data/POTENTIAL_UZH.
# PTB vDZP entries are restricted to the valence charges implied by
# the PTB ECP/core partitioning.
#
# Use with:
#   BASIS_SET_FILE_NAME BASIS_TB_UZH
#   POTENTIAL_FILE_NAME POTENTIAL_UZH
#   POTENTIAL GTH-<XC>-qX, matching the basis -qX suffix
#
# Basis aliases end in CP2K-style -qX. The same basis alias can be
# paired with the corresponding GTH-PBE-qX, GTH-SCAN-qX, or
# GTH-PBE0-qX potential if that potential exists in POTENTIAL_UZH.
# PTB vDZP and vDZP auxiliary aliases are only present when X matches
# the PTB valence electron count: H-Be use no PTB ECP, B-Rn use the
# core partitioning from the PTB .ecp source file.
#
# Sources:
# - qvSZP:       https://github.com/grimme-lab/qvSZP @ cd334a8954d4
#
# - q-vSZPs:     https://github.com/grimme-lab/q-vSZPs @ cf4db5fa0968
#
# Marcel Müller, Andreas Hansen, and Stefan Grimme,
# "An Atom-in-Molecule Adaptive Polarized Valence Single-ζ Atomic Orbital Basis
# for Electronic Structure Calculations"
# J. Chem. Phys. 2023, 159, 164108, DOI: 10.1063/5.0172373
#
# Benedikt Bädorf, Marcel Müller, Thomas Froitzheim, and Stefan Grimme,
# ChemRxiv preprint 2026, DOI: 10.26434/chemrxiv.15003662/v1
#
# - PTB:         https://github.com/grimme-lab/ptb @ faf70291b5c2
#
# Stefan Grimme, Marcel Müller, and Andreas Hansen,
# "A Non-Self-Consistent Tight-Binding Electronic Structure Potential in a
# Polarized Double-ζ Basis Set for All spd-Block Elements up to Z = 86"
# J. Chem. Phys. 2023, 158, 124111, DOI: 10.1063/5.0137838
#
# Abylay Katbashev, Robert Schade, Michael Lass, Marcel Müller, Stefan Grimme,
# Andreas Hansen, and Thomas D. Kühne,
# "Submatrix and GPU-Accelerated Implementation of Density Matrix Tight-Binding"
# J. Chem. Phys. 2025, 163, 132501, DOI: 10.1063/5.0271379
#
# - tblite:      https://github.com/tblite/tblite @ 5b90becb07cc
#
# Abylay Katbashev, Marcel Stahn, Thomas Rose, Vahideh Alizadeh, Marvin Friede,
# Christoph Plett, Pit Steinbach, and Sebastian Ehlert,
# "Overview on Building Blocks and Applications of Efficient and Robust
# Extended Tight Binding"
# J. Phys. Chem. A 2025, 129, 10, 2667–2682, DOI: 10.1021/acs.jpca.4c08263
#
# - STO-NG:      CP2K src/aobasis/sto_ng.F
#
# Stefan Grimme, Christoph Bannwarth, and Philip Shushkov,
# "A Robust and Accurate Tight-Binding Quantum Chemical Method for Structures,
# Vibrational Frequencies, and Noncovalent Interactions of Large Molecular
# Systems Parametrized for All spd-Block Elements (Z = 1–86)"
# J. Chem. Theory Comput. 2017, 13, 5, 1989–2009, DOI: 10.1021/acs.jctc.7b00118
#
# Christoph Bannwarth, Sebastian Ehlert, and Stefan Grimme,
# "GFN2-xTB—An Accurate and Broadly Parametrized Self-Consistent Tight-Binding
# Quantum Chemical Method with Multipole Electrostatics and Density-Dependent
# Dispersion Contributions"
# J. Chem. Theory Comput. 2019, 15, 3, 1652–1671, DOI: 10.1021/acs.jctc.8b01176
#
# Limitations:
# - The q-vSZP and q-vSZPs source bases carry charge/environment coefficients.
#   CP2K BASIS_SET files are static, so these coefficients are not
#   represented here. The first contraction coefficient column is used.
# - qavg-vSZPs is the non-adaptive q-averaged q-vSZPs variant, included
#   here as static Gaussian contractions.
# - GFN1/GFN2 entries are static STO-6G expansions of tblite Slater exponents.
#   They are useful as Gaussian basis definitions, not as a replacement for
#   CP2K's native xTB/tblite Hamiltonian and parameter handling.
#
# UZH protocol reference:
#
# Marcella Iannuzzi, Jan Wilhelm, Frederick Stein, Augustin Bussy, Hossam Elgabarty,
# Dorothea Golze, Anna Hehn, Maximilian Graml, Stepan Marek, Beliz Sertcan Gökmen,
# Christoph Schran, Harald Forbert, Rustam Z. Khaliullin, Anton Kozhevnikov,
# Mathieu Taillefumier, Rocco Meli, Vladimir Rybkin, Martin Brehm, Robert Schade,
# Ole Schütt, Johann V. Pototschnig, Hossein Mirhosseini, Andreas Knüpfer,
# Dominik Marx, Matthias Krack, Jürg Hutter, and Thomas D. Kühne,
# "The CP2K Program Package Made Simple"
# J. Phys. Chem. B 2026, 130, 4, 1237–1310, DOI: 10.1021/acs.jpcb.5c05851

# ---- q-vSZP orbital basis for UZH GTH potentials ----
H qvSZP-GTH-q1 q-vSZP-GTH-q1 qvSZP-UZH-q1 q-vSZP-UZH-q1 qvSZP-q1 q-vSZP-q1
  2
   1 0 0   8 1
          337.00501221849999         0.00087979514000
           53.31053105150000         0.00691741652600
           12.20825348140000         0.03424540847600
            3.41882690980000         0.14338644278600
            1.10879012580000         0.38671918497200
            0.47871779830000         0.50504610020200
            0.21213708770000         0.65185428319600
            0.06905810860000         0.38559260555300
   2 1 1   3 1
            1.48358393610000         0.21377414440800
            0.33725889430000         0.51824282386000
            0.08641670110000         0.82808513493500
#
He qvSZP-GTH-q2 q-vSZP-GTH-q2 qvSZP-UZH-q2 q-vSZP-UZH-q2 qvSZP-q2 q-vSZP-q2
  2
   1 0 0   8 1
          372.14667332630000         0.00244735202100
           57.48171807730000         0.01845033944000
           13.20696520190000         0.09091957769900
            3.85611127510000         0.29322895164600
            1.20821563870000         0.60185998574000
            0.45737864320000         0.63321824399500
            0.23893751570000         0.02734856616300
            0.18680217670000         0.37610540638800
   2 1 1   2 1
            0.79265111520000         0.02836029705800
            0.17451123430000         0.99959776587900
#
Li qvSZP-GTH-q1 q-vSZP-GTH-q1 qvSZP-UZH-q1 q-vSZP-UZH-q1 qvSZP-q1 q-vSZP-q1
  3
   1 0 0   5 1
            3.49105976710000         0.00916016277200
            0.57270387340000        -0.16927289793200
            0.14196653720000         0.00779097253000
            0.07233625620000         0.40867456721000
            0.03048098740000         0.89676483891100
   2 1 1   5 1
            4.73793716060000         0.00212343030700
            1.50091298870000         0.03580000794400
            0.44719726920000         0.09845158644800
            0.15213930850000         0.37652692794100
            0.05778209030000         0.92046108453100
   3 2 2   2 1
            0.36594251450000         0.09415707552900
            0.09168746300000         0.99555735401200
#
Li qvSZP-GTH-q3 q-vSZP-GTH-q3 qvSZP-UZH-q3 q-vSZP-UZH-q3 qvSZP-q3 q-vSZP-q3
  3
   1 0 0   5 1
            3.49105976710000         0.00916016277200
            0.57270387340000        -0.16927289793200
            0.14196653720000         0.00779097253000
            0.07233625620000         0.40867456721000
            0.03048098740000         0.89676483891100
   2 1 1   5 1
            4.73793716060000         0.00212343030700
            1.50091298870000         0.03580000794400
            0.44719726920000         0.09845158644800
            0.15213930850000         0.37652692794100
            0.05778209030000         0.92046108453100
   3 2 2   2 1
            0.36594251450000         0.09415707552900
            0.09168746300000         0.99555735401200
#
Be qvSZP-GTH-q2 q-vSZP-GTH-q2 qvSZP-UZH-q2 q-vSZP-UZH-q2 qvSZP-q2 q-vSZP-q2
  3
   1 0 0   6 1
            7.29319065750000         0.01117245905900
            1.23611232260000        -0.25007949215200
            0.39996008730000         0.09113341246500
            0.17591263500000         0.61500534857600
            0.06527070360000         0.74194239862400
            0.01907424840000         0.01788919347500
   2 1 1   4 1
            2.75116439180000         0.04882420922200
            0.65363350640000         0.20752094553900
            0.21200073350000         0.49730823421000
            0.05904156280000         0.84097311130800
   3 2 2   2 1
            0.46490954950000         0.23138456362100
            0.08946232930000         0.97286236627700
#
Be qvSZP-GTH-q4 q-vSZP-GTH-q4 qvSZP-UZH-q4 q-vSZP-UZH-q4 qvSZP-q4 q-vSZP-q4
  3
   1 0 0   6 1
            7.29319065750000         0.01117245905900
            1.23611232260000        -0.25007949215200
            0.39996008730000         0.09113341246500
            0.17591263500000         0.61500534857600
            0.06527070360000         0.74194239862400
            0.01907424840000         0.01788919347500
   2 1 1   4 1
            2.75116439180000         0.04882420922200
            0.65363350640000         0.20752094553900
            0.21200073350000         0.49730823421000
            0.05904156280000         0.84097311130800
   3 2 2   2 1
            0.46490954950000         0.23138456362100
            0.08946232930000         0.97286236627700
#
B qvSZP-GTH-q3 q-vSZP-GTH-q3 qvSZP-UZH-q3 q-vSZP-UZH-q3 qvSZP-q3 q-vSZP-q3
  3
   1 0 0   6 1
            1.54405890400000        -0.54111678322900
            1.20897218820000         0.41870786096400
            0.30186699040000         0.52139859935000
            0.12079689200000         0.47859573351500
            0.11328218640000         0.11452145050100
            0.07769040340000         0.13360694557900
   2 1 1   5 1
            8.82089018660000         0.02125733194100
            2.30707299390000         0.11177237233000
            0.67855353160000         0.44042527898800
            0.24220727120000         0.53152294248100
            0.08322315080000         0.71453761123300
   3 2 2   2 1
            0.67853597290000         0.34405284135300
            0.17143850930000         0.93895028747900
#
C qvSZP-GTH-q4 q-vSZP-GTH-q4 qvSZP-UZH-q4 q-vSZP-UZH-q4 qvSZP-q4 q-vSZP-q4
  3
   1 0 0   6 1
            2.20862762910000        -0.62787306409900
            1.91795894900000         0.53397590850200
            0.49715303680000         0.38462390115200
            0.19218246730000         0.39398205648000
            0.15053118320000         0.03123045875300
            0.07818867730000         0.12850057120100
   2 1 1   6 1
           24.59733563570000         0.00769554343400
            6.48816086650000         0.06508447546400
            2.22635867440000         0.21845966155900
            0.77689700310000         0.55732926637800
            0.28342472140000         0.53543000055800
            0.09862825730000         0.59218153405600
   3 2 2   3 1
            3.24057388600000         0.07043383362600
            0.75791266870000         0.40959235636000
            0.17294290190000         0.90954558802300
#
N qvSZP-GTH-q5 q-vSZP-GTH-q5 qvSZP-UZH-q5 q-vSZP-UZH-q5 qvSZP-q5 q-vSZP-q5
  3
   1 0 0   6 1
            2.69507309610000        -0.62959871799900
            2.24947021280000         0.59518770764200
            0.61185169580000         0.39775296861400
            0.30372666560000         0.25696236884000
            0.17162827040000         0.13717391528200
            0.07154913430000         0.07939320431600
   2 1 1   6 1
           27.54764017200000         0.01651254088200
            7.12656627820000         0.11433192095600
            2.35805520400000         0.34488164596200
            0.84504726230000         0.65266104993900
            0.30106305790000         0.61618962548000
            0.09457452580000         0.24911061291400
   3 2 2   3 1
            2.20716752690000         0.16528580766000
            0.66344670320000         0.66753036312000
            0.18722649810000         0.72600538296900
#
O qvSZP-GTH-q6 q-vSZP-GTH-q6 qvSZP-UZH-q6 q-vSZP-UZH-q6 qvSZP-q6 q-vSZP-q6
  3
   1 0 0   6 1
            3.48359494310000        -0.61204972224400
            2.85986576440000         0.60276991736200
            0.74068102900000         0.43912965890000
            0.34492691920000         0.21500479755700
            0.26197853290000         0.12813692723700
            0.09461635040000         0.08113305001600
   2 1 1   6 1
           37.64147132550000         0.01767558736700
            9.71308856170000         0.11679928807600
            3.13717714760000         0.34978750542500
            1.12138051620000         0.61299203708900
            0.39807792650000         0.64385953921000
            0.12304777100000         0.27088716691400
   3 2 2   3 1
            3.70255394060000         0.12607321057800
            0.91904061640000         0.77854417226300
            0.28939746150000         0.61479632189000
#
F qvSZP-GTH-q7 q-vSZP-GTH-q7 qvSZP-UZH-q7 q-vSZP-UZH-q7 qvSZP-q7 q-vSZP-q7
  3
   1 0 0   6 1
            6.81883879310000        -0.48315746841900
            5.19340680720000         0.30501621009500
            1.34431602670000         0.54731439000100
            0.67895380850000         0.34205749843700
            0.42941765000000         0.48053296675000
            0.17402707210000         0.16141767690800
   2 1 1   6 1
           54.42579880650000         0.01715307021200
           15.06362004760000         0.10027065375100
            4.81700025900000         0.30302508507400
            1.72486522350000         0.57797771665700
            0.58688197380000         0.67608614822300
            0.19195280540000         0.32661390849600
   3 2 2   2 1
            1.91495319430000         0.31468275518300
            0.52205799640000         0.94919690454100
#
Ne qvSZP-GTH-q8 q-vSZP-GTH-q8 qvSZP-UZH-q8 q-vSZP-UZH-q8 qvSZP-q8 q-vSZP-q8
  3
   1 0 0   6 1
            8.89231604900000        -0.44570544585200
            7.66275939780000         0.28759531016300
            1.78423465970000         0.50369228906300
            0.69917675190000         0.66072196810900
            0.30831261390000         0.15475771248800
            0.21297644270000         0.06652971014200
   2 1 1   6 1
           73.49440411840000         0.01419131077600
           18.91021681180000         0.10199384196600
            6.18706697670000         0.30626045549300
            2.22099039310000         0.58399566353500
            0.75488343050000         0.67355267589400
            0.24488509680000         0.31761022349700
   3 2 2   2 1
            2.00918730280000         0.21047961110200
            0.40643110350000         0.97759824739500
#
Na qvSZP-GTH-q1 q-vSZP-GTH-q1 qvSZP-UZH-q1 q-vSZP-UZH-q1 qvSZP-q1 q-vSZP-q1
  3
   1 0 0   4 1
            2.12619692770000         0.01707816125500
            0.54052076060000        -0.23481909773100
            0.07311073330000         0.36596836826300
            0.02678226920000         0.90035297588200
   2 1 1   4 1
            0.43034617380000        -0.09879025365300
            0.25563680920000         0.08316574409300
            0.08609678440000         0.25972194460600
            0.02638820770000         0.95701016519300
   3 2 2   2 1
            0.39713466660000         0.11017181756800
            0.10082265650000         0.99391255682500
#
Na qvSZP-GTH-q9 q-vSZP-GTH-q9 qvSZP-UZH-q9 q-vSZP-UZH-q9 qvSZP-q9 q-vSZP-q9
  3
   1 0 0   4 1
            2.12619692770000         0.01707816125500
            0.54052076060000        -0.23481909773100
            0.07311073330000         0.36596836826300
            0.02678226920000         0.90035297588200
   2 1 1   4 1
            0.43034617380000        -0.09879025365300
            0.25563680920000         0.08316574409300
            0.08609678440000         0.25972194460600
            0.02638820770000         0.95701016519300
   3 2 2   2 1
            0.39713466660000         0.11017181756800
            0.10082265650000         0.99391255682500
#
Mg qvSZP-GTH-q2 q-vSZP-GTH-q2 qvSZP-UZH-q2 q-vSZP-UZH-q2 qvSZP-q2 q-vSZP-q2
  3
   1 0 0   4 1
            2.19072952710000         0.04882454433300
            0.84499532420000        -0.31305726770000
            0.12387236050000         0.61488973292900
            0.05042643800000         0.72216475083500
   2 1 1   3 1
            0.86189826160000        -0.01938332377300
            0.17331942530000         0.13170778559100
            0.05627013130000         0.99109905961700
   3 2 2   2 1
            0.47719841140000         0.02550754263400
            0.11720956130000         0.99967462970100
#
Mg qvSZP-GTH-q10 q-vSZP-GTH-q10 qvSZP-UZH-q10 q-vSZP-UZH-q10 qvSZP-q10 q-vSZP-q10
  3
   1 0 0   4 1
            2.19072952710000         0.04882454433300
            0.84499532420000        -0.31305726770000
            0.12387236050000         0.61488973292900
            0.05042643800000         0.72216475083500
   2 1 1   3 1
            0.86189826160000        -0.01938332377300
            0.17331942530000         0.13170778559100
            0.05627013130000         0.99109905961700
   3 2 2   2 1
            0.47719841140000         0.02550754263400
            0.11720956130000         0.99967462970100
#
Al qvSZP-GTH-q3 q-vSZP-GTH-q3 qvSZP-UZH-q3 q-vSZP-UZH-q3 qvSZP-q3 q-vSZP-q3
  3
   1 0 0   5 1
            3.19613161720000         0.04172377383100
            1.04702446690000        -0.35886484902000
            0.37709379880000         0.10654640724400
            0.16320891750000         0.69543316058300
            0.06407320910000         0.61196056172000
   2 1 1   4 1
            0.94494874910000        -0.12337469594600
            0.39839497380000         0.26912202815300
            0.15273501440000         0.55315754860500
            0.05923548250000         0.77869682469100
   3 2 2   2 1
            0.59706839980000         0.24589220769400
            0.17244266640000         0.96929717950400
#
Si qvSZP-GTH-q4 q-vSZP-GTH-q4 qvSZP-UZH-q4 q-vSZP-UZH-q4 qvSZP-q4 q-vSZP-q4
  3
   1 0 0   5 1
            4.48098946230000         0.04143457947100
            1.31183319040000        -0.39637510304000
            0.30492985020000         0.46068216463500
            0.20107489010000         0.40865999222200
            0.07695328860000         0.67966087665700
   2 1 1   4 1
            1.20369154050000        -0.10318737814800
            0.48845969950000         0.34158063384900
            0.18378010980000         0.73791072911200
            0.06504776550000         0.57285494798600
   3 2 2   2 1
            1.06253033760000         0.17800661470500
            0.28855975530000         0.98402929078400
#
P qvSZP-GTH-q5 q-vSZP-GTH-q5 qvSZP-UZH-q5 q-vSZP-UZH-q5 qvSZP-q5 q-vSZP-q5
  3
   1 0 0   5 1
            8.01753444090000         0.02846801120100
            1.44449635160000        -0.38990032693800
            0.45523630980000         0.46551491316900
            0.19353910860000         0.75536997691900
            0.06741432740000         0.24470261743200
   2 1 1   5 1
            1.17074619120000        -0.18841687353900
            0.77359846060000         0.37425504889500
            0.33107628160000         0.62742979122900
            0.16088530260000         0.55232882099100
            0.06713919370000         0.35453768590000
   3 2 2   2 1
            1.60347414740000         0.23485017606500
            0.36289878910000         0.97203158117500
#
S qvSZP-GTH-q6 q-vSZP-GTH-q6 qvSZP-UZH-q6 q-vSZP-UZH-q6 qvSZP-q6 q-vSZP-q6
  3
   1 0 0   5 1
            7.53644139850000         0.04066140474800
            1.92946894100000        -0.40252167079100
            0.52212221130000         0.51211172180100
            0.23052379940000         0.73628305737700
            0.08626150410000         0.17875066019500
   2 1 1   5 1
            1.64342597790000        -0.25662344557600
            1.15198701660000         0.38386285327600
            0.42741711110000         0.63474860280900
            0.19412367690000         0.56913897044400
            0.08612590800000         0.24488519883800
   3 2 2   2 1
            1.56833767340000         0.26502153020300
            0.35888729120000         0.96424249467100
#
Cl qvSZP-GTH-q7 q-vSZP-GTH-q7 qvSZP-UZH-q7 q-vSZP-UZH-q7 qvSZP-q7 q-vSZP-q7
  3
   1 0 0   5 1
           16.44015248670000         0.01912863170300
            2.12831975200000        -0.39381527836500
            0.70399223570000         0.48168747113900
            0.29333170220000         0.75128645699400
            0.11122098300000         0.21929309533200
   2 1 1   5 1
            2.67835693870000        -0.14547020847800
            1.67248354380000         0.17023390168400
            0.65205478790000         0.60087846323800
            0.26166777270000         0.69392229869400
            0.10314259290000         0.32752977414900
   3 2 2   2 1
            2.07266304500000         0.26283551917000
            0.47633944990000         0.96484065516700
#
Ar qvSZP-GTH-q8 q-vSZP-GTH-q8 qvSZP-UZH-q8 q-vSZP-UZH-q8 qvSZP-q8 q-vSZP-q8
  3
   1 0 0   5 1
           16.93110397440000         0.00915466122600
            2.29301145510000        -0.60199413384800
            1.77750617240000         0.44195912632600
            0.47352545510000         0.62069292373300
            0.17286441990000         0.23860360448900
   2 1 1   5 1
            3.24155470190000        -0.08164541548400
            1.12049524620000         0.49806432044100
            0.44044864620000         0.75567300658500
            0.23494392900000         0.26548663867000
            0.12549546830000         0.32208866891200
   3 2 2   2 1
            1.76705741300000         0.31513630689300
            0.37227393470000         0.94904642040200
#
K qvSZP-GTH-q1 q-vSZP-GTH-q1 qvSZP-UZH-q1 q-vSZP-UZH-q1 qvSZP-q1 q-vSZP-q1
  3
   1 0 0   4 1
            0.90962917750000         0.05623183035400
            0.30751535360000        -0.34673970636500
            0.04529323890000         0.41945118132900
            0.02023912050000         0.83706048990900
   2 1 1   3 1
            0.20975554950000        -0.05090167134600
            0.08171958610000         0.23932878245900
            0.02195222930000         0.96960340023200
   3 2 2   2 1
            0.61604769650000         0.33655905630200
            0.13537533890000         0.94166236073300
#
K qvSZP-GTH-q9 q-vSZP-GTH-q9 qvSZP-UZH-q9 q-vSZP-UZH-q9 qvSZP-q9 q-vSZP-q9
  3
   1 0 0   4 1
            0.90962917750000         0.05623183035400
            0.30751535360000        -0.34673970636500
            0.04529323890000         0.41945118132900
            0.02023912050000         0.83706048990900
   2 1 1   3 1
            0.20975554950000        -0.05090167134600
            0.08171958610000         0.23932878245900
            0.02195222930000         0.96960340023200
   3 2 2   2 1
            0.61604769650000         0.33655905630200
            0.13537533890000         0.94166236073300
#
Ca qvSZP-GTH-q2 q-vSZP-GTH-q2 qvSZP-UZH-q2 q-vSZP-UZH-q2 qvSZP-q2 q-vSZP-q2
  3
   1 0 0   4 1
            0.72076398050000         0.26025804290900
            0.52183666440000        -0.47172493946500
            0.05100963740000         0.84142985552900
            0.03651291390000         0.04167890129000
   2 1 1   3 1
            0.34544833920000        -0.07779827198800
            0.08449867230000         0.51188600396400
            0.02480975190000         0.85552331810500
   3 2 2   3 1
            1.57888826210000         0.25023711405200
            0.47573619090000         0.59006302410800
            0.12664914320000         0.76759821152200
#
Ca qvSZP-GTH-q10 q-vSZP-GTH-q10 qvSZP-UZH-q10 q-vSZP-UZH-q10 qvSZP-q10 q-vSZP-q10
  3
   1 0 0   4 1
            0.72076398050000         0.26025804290900
            0.52183666440000        -0.47172493946500
            0.05100963740000         0.84142985552900
            0.03651291390000         0.04167890129000
   2 1 1   3 1
            0.34544833920000        -0.07779827198800
            0.08449867230000         0.51188600396400
            0.02480975190000         0.85552331810500
   3 2 2   3 1
            1.57888826210000         0.25023711405200
            0.47573619090000         0.59006302410800
            0.12664914320000         0.76759821152200
#
Sc qvSZP-GTH-q3 q-vSZP-GTH-q3 qvSZP-UZH-q3 q-vSZP-UZH-q3 qvSZP-q3 q-vSZP-q3
  3
   1 0 0   5 1
            0.75493087570000         0.14919968415500
            0.50347809030000        -0.45929182892000
            0.09457659600000         0.45980340146600
            0.04253253880000         0.74519285919100
            0.01391285180000         0.00767494282600
   2 1 1   2 1
            0.51160879950000        -0.10088825018800
            0.08807480550000         0.99489776408100
   3 2 2   6 1
           25.66470775160000         0.01819472834300
            8.16978770390000         0.07912573578500
            3.06490545600000         0.24094621388200
            1.13213517120000         0.47029804568000
            0.38143665330000         0.61293377700600
            0.12123008880000         0.58179457289200
#
Sc qvSZP-GTH-q11 q-vSZP-GTH-q11 qvSZP-UZH-q11 q-vSZP-UZH-q11 qvSZP-q11 q-vSZP-q11
  3
   1 0 0   5 1
            0.75493087570000         0.14919968415500
            0.50347809030000        -0.45929182892000
            0.09457659600000         0.45980340146600
            0.04253253880000         0.74519285919100
            0.01391285180000         0.00767494282600
   2 1 1   2 1
            0.51160879950000        -0.10088825018800
            0.08807480550000         0.99489776408100
   3 2 2   6 1
           25.66470775160000         0.01819472834300
            8.16978770390000         0.07912573578500
            3.06490545600000         0.24094621388200
            1.13213517120000         0.47029804568000
            0.38143665330000         0.61293377700600
            0.12123008880000         0.58179457289200
#
Ti qvSZP-GTH-q4 q-vSZP-GTH-q4 qvSZP-UZH-q4 q-vSZP-UZH-q4 qvSZP-q4 q-vSZP-q4
  3
   1 0 0   5 1
            0.97144684610000         0.07776281304900
            0.53595925590000        -0.38785925585900
            0.22436529380000         0.00919894088300
            0.11002224790000         0.42205533510400
            0.04485979340000         0.81566096887700
   2 1 1   3 1
            0.57393527160000        -0.12138156397500
            0.12098536610000         0.44079799804400
            0.07044093570000         0.88936136685100
   3 2 2   6 1
           40.96968204600000         0.01321071929200
           10.95444896200000         0.09355995914500
            3.60489199250000         0.31124016213900
            1.29899502850000         0.55518591427100
            0.44096084240000         0.59894191301900
            0.14343461080000         0.47669566584700
#
Ti qvSZP-GTH-q12 q-vSZP-GTH-q12 qvSZP-UZH-q12 q-vSZP-UZH-q12 qvSZP-q12 q-vSZP-q12
  3
   1 0 0   5 1
            0.97144684610000         0.07776281304900
            0.53595925590000        -0.38785925585900
            0.22436529380000         0.00919894088300
            0.11002224790000         0.42205533510400
            0.04485979340000         0.81566096887700
   2 1 1   3 1
            0.57393527160000        -0.12138156397500
            0.12098536610000         0.44079799804400
            0.07044093570000         0.88936136685100
   3 2 2   6 1
           40.96968204600000         0.01321071929200
           10.95444896200000         0.09355995914500
            3.60489199250000         0.31124016213900
            1.29899502850000         0.55518591427100
            0.44096084240000         0.59894191301900
            0.14343461080000         0.47669566584700
#
V qvSZP-GTH-q5 q-vSZP-GTH-q5 qvSZP-UZH-q5 q-vSZP-UZH-q5 qvSZP-q5 q-vSZP-q5
  3
   1 0 0   5 1
            0.90287298980000         0.09861389306700
            0.56984477440000        -0.41748310508700
            0.30380128900000         0.02480209469900
            0.11342394080000         0.59516320662100
            0.03604911660000         0.67907935518900
   2 1 1   3 1
            0.76316839190000        -0.11090668785300
            0.12486135890000         0.56713804963300
            0.05611055800000         0.81612139982300
   3 2 2   6 1
           41.17039452140000         0.01835475687800
           11.79050495940000         0.10990010084100
            4.04517135060000         0.34857934075300
            1.49815381180000         0.59346059847900
            0.52751603510000         0.60130533848700
            0.17977039250000         0.39027416247400
#
V qvSZP-GTH-q13 q-vSZP-GTH-q13 qvSZP-UZH-q13 q-vSZP-UZH-q13 qvSZP-q13 q-vSZP-q13
  3
   1 0 0   5 1
            0.90287298980000         0.09861389306700
            0.56984477440000        -0.41748310508700
            0.30380128900000         0.02480209469900
            0.11342394080000         0.59516320662100
            0.03604911660000         0.67907935518900
   2 1 1   3 1
            0.76316839190000        -0.11090668785300
            0.12486135890000         0.56713804963300
            0.05611055800000         0.81612139982300
   3 2 2   6 1
           41.17039452140000         0.01835475687800
           11.79050495940000         0.10990010084100
            4.04517135060000         0.34857934075300
            1.49815381180000         0.59346059847900
            0.52751603510000         0.60130533848700
            0.17977039250000         0.39027416247400
#
Cr qvSZP-GTH-q6 q-vSZP-GTH-q6 qvSZP-UZH-q6 q-vSZP-UZH-q6 qvSZP-q6 q-vSZP-q6
  3
   1 0 0   5 1
            1.09513828080000         0.00344157150800
            0.29081028720000         0.12722330589700
            0.47099886620000        -0.38790905514500
            0.11172397660000         0.55088828927000
            0.03104745250000         0.72790867813500
   2 1 1   3 1
            0.77937767410000        -0.07610403282700
            0.12522131070000         0.40728061214600
            0.02282035140000         0.91012673796400
   3 2 2   6 1
           49.63148519570000         0.01696705557000
           13.82266671530000         0.10807591270700
            4.79197219350000         0.33767741664100
            1.81111201930000         0.57967101863300
            0.64616758070000         0.62859078109400
            0.21614660760000         0.37796933538300
#
Cr qvSZP-GTH-q14 q-vSZP-GTH-q14 qvSZP-UZH-q14 q-vSZP-UZH-q14 qvSZP-q14 q-vSZP-q14
  3
   1 0 0   5 1
            1.09513828080000         0.00344157150800
            0.29081028720000         0.12722330589700
            0.47099886620000        -0.38790905514500
            0.11172397660000         0.55088828927000
            0.03104745250000         0.72790867813500
   2 1 1   3 1
            0.77937767410000        -0.07610403282700
            0.12522131070000         0.40728061214600
            0.02282035140000         0.91012673796400
   3 2 2   6 1
           49.63148519570000         0.01696705557000
           13.82266671530000         0.10807591270700
            4.79197219350000         0.33767741664100
            1.81111201930000         0.57967101863300
            0.64616758070000         0.62859078109400
            0.21614660760000         0.37796933538300
#
Mn qvSZP-GTH-q7 q-vSZP-GTH-q7 qvSZP-UZH-q7 q-vSZP-UZH-q7 qvSZP-q7 q-vSZP-q7
  3
   1 0 0   5 1
            1.39396255080000         0.03377714620700
            0.68920945770000        -0.32087386974900
            0.25823437200000         0.00418873256400
            0.13105855910000         0.48401916188200
            0.05510497390000         0.81339226057100
   2 1 1   3 1
            0.80338043640000        -0.08355880675800
            0.16479549470000         0.55575223369100
            0.04698795200000         0.82713806620200
   3 2 2   6 1
           53.43743844200000         0.01887372999500
           15.62201227190000         0.10933875541900
            5.56218231000000         0.34499049939900
            2.09083797810000         0.60799617467400
            0.74050201190000         0.60598185997700
            0.24873584310000         0.36303858082100
#
Mn qvSZP-GTH-q15 q-vSZP-GTH-q15 qvSZP-UZH-q15 q-vSZP-UZH-q15 qvSZP-q15 q-vSZP-q15
  3
   1 0 0   5 1
            1.39396255080000         0.03377714620700
            0.68920945770000        -0.32087386974900
            0.25823437200000         0.00418873256400
            0.13105855910000         0.48401916188200
            0.05510497390000         0.81339226057100
   2 1 1   3 1
            0.80338043640000        -0.08355880675800
            0.16479549470000         0.55575223369100
            0.04698795200000         0.82713806620200
   3 2 2   6 1
           53.43743844200000         0.01887372999500
           15.62201227190000         0.10933875541900
            5.56218231000000         0.34499049939900
            2.09083797810000         0.60799617467400
            0.74050201190000         0.60598185997700
            0.24873584310000         0.36303858082100
#
Fe qvSZP-GTH-q8 q-vSZP-GTH-q8 qvSZP-UZH-q8 q-vSZP-UZH-q8 qvSZP-q8 q-vSZP-q8
  3
   1 0 0   5 1
            1.65721541760000         0.04894009129000
            0.81313492740000        -0.30589885634100
            0.41257005900000         0.00331105287500
            0.10431837050000         0.87355748570300
            0.01854083950000         0.37538928228700
   2 1 1   3 1
            0.88175307660000        -0.13283054574900
            0.15240267410000         0.62965580175400
            0.04093119330000         0.76543426721900
   3 2 2   6 1
           53.68733176310000         0.02274512763900
           15.65630298790000         0.12703047384900
            5.57282844060000         0.37484685734500
            2.09531652110000         0.60083415488200
            0.74107906290000         0.59450065010200
            0.24568777650000         0.35833370868000
#
Fe qvSZP-GTH-q16 q-vSZP-GTH-q16 qvSZP-UZH-q16 q-vSZP-UZH-q16 qvSZP-q16 q-vSZP-q16
  3
   1 0 0   5 1
            1.65721541760000         0.04894009129000
            0.81313492740000        -0.30589885634100
            0.41257005900000         0.00331105287500
            0.10431837050000         0.87355748570300
            0.01854083950000         0.37538928228700
   2 1 1   3 1
            0.88175307660000        -0.13283054574900
            0.15240267410000         0.62965580175400
            0.04093119330000         0.76543426721900
   3 2 2   6 1
           53.68733176310000         0.02274512763900
           15.65630298790000         0.12703047384900
            5.57282844060000         0.37484685734500
            2.09531652110000         0.60083415488200
            0.74107906290000         0.59450065010200
            0.24568777650000         0.35833370868000
#
Co qvSZP-GTH-q9 q-vSZP-GTH-q9 qvSZP-UZH-q9 q-vSZP-UZH-q9 qvSZP-q9 q-vSZP-q9
  3
   1 0 0   5 1
            1.49740292200000         0.05892295006200
            0.83062745450000        -0.33021132177000
            0.40523112560000         0.00338424910600
            0.11781959730000         0.83451795312900
            0.02806798840000         0.43710056245100
   2 1 1   3 1
            0.99556202490000        -0.08942537303300
            0.16362732970000         0.40624306420200
            0.05687607500000         0.90937873047800
   3 2 2   6 1
           59.74289560250000         0.02243799438700
           18.07064949740000         0.12166144289200
            6.52613627090000         0.36487987960400
            2.48012178330000         0.59629026631000
            0.89328387190000         0.59586938321500
            0.29629768770000         0.37541350486100
#
Co qvSZP-GTH-q17 q-vSZP-GTH-q17 qvSZP-UZH-q17 q-vSZP-UZH-q17 qvSZP-q17 q-vSZP-q17
  3
   1 0 0   5 1
            1.49740292200000         0.05892295006200
            0.83062745450000        -0.33021132177000
            0.40523112560000         0.00338424910600
            0.11781959730000         0.83451795312900
            0.02806798840000         0.43710056245100
   2 1 1   3 1
            0.99556202490000        -0.08942537303300
            0.16362732970000         0.40624306420200
            0.05687607500000         0.90937873047800
   3 2 2   6 1
           59.74289560250000         0.02243799438700
           18.07064949740000         0.12166144289200
            6.52613627090000         0.36487987960400
            2.48012178330000         0.59629026631000
            0.89328387190000         0.59586938321500
            0.29629768770000         0.37541350486100
#
Ni qvSZP-GTH-q10 q-vSZP-GTH-q10 qvSZP-UZH-q10 q-vSZP-UZH-q10 qvSZP-q10 q-vSZP-q10
  3
   1 0 0   5 1
            1.43095100920000         0.15902614465600
            1.02169758710000        -0.38985443702900
            0.29037245040000         0.02013607220300
            0.10100088910000         0.89363965029500
            0.02266486410000         0.15403544157200
   2 1 1   3 1
            1.13938002360000        -0.13527803337700
            0.16702533520000         0.75051741510200
            0.06267219450000         0.64685660181700
   3 2 2   6 1
           65.29797657710000         0.02370959513700
           18.49458146470000         0.14455918888900
            6.45189921090000         0.41628584628100
            2.36826948690000         0.62777138139300
            0.80917177980000         0.58513686391000
            0.23710721300000         0.26222992466500
#
Ni qvSZP-GTH-q18 q-vSZP-GTH-q18 qvSZP-UZH-q18 q-vSZP-UZH-q18 qvSZP-q18 q-vSZP-q18
  3
   1 0 0   5 1
            1.43095100920000         0.15902614465600
            1.02169758710000        -0.38985443702900
            0.29037245040000         0.02013607220300
            0.10100088910000         0.89363965029500
            0.02266486410000         0.15403544157200
   2 1 1   3 1
            1.13938002360000        -0.13527803337700
            0.16702533520000         0.75051741510200
            0.06267219450000         0.64685660181700
   3 2 2   6 1
           65.29797657710000         0.02370959513700
           18.49458146470000         0.14455918888900
            6.45189921090000         0.41628584628100
            2.36826948690000         0.62777138139300
            0.80917177980000         0.58513686391000
            0.23710721300000         0.26222992466500
#
Cu qvSZP-GTH-q1 q-vSZP-GTH-q1 qvSZP-UZH-q1 q-vSZP-UZH-q1 qvSZP-q1 q-vSZP-q1
  3
   1 0 0   5 1
            1.45758284430000         0.09603950563500
            0.93329915600000        -0.42161826960300
            0.32947329050000         0.02456071632800
            0.14808673430000         0.70656171305300
            0.05332268050000         0.55962645126500
   2 1 1   3 1
            0.98271710300000        -0.13704211734300
            0.19070374050000         0.72778375162200
            0.06989516490000         0.67197490202300
   3 2 2   6 1
           68.38796085440001         0.02540448266200
           20.46231316880000         0.13774672134900
            7.43998319380000         0.39082510280600
            2.82899984260000         0.60240473982100
            1.01101010640000         0.57667329302400
            0.31217796470000         0.36358305046900
#
Cu qvSZP-GTH-q11 q-vSZP-GTH-q11 qvSZP-UZH-q11 q-vSZP-UZH-q11 qvSZP-q11 q-vSZP-q11
  3
   1 0 0   5 1
            1.45758284430000         0.09603950563500
            0.93329915600000        -0.42161826960300
            0.32947329050000         0.02456071632800
            0.14808673430000         0.70656171305300
            0.05332268050000         0.55962645126500
   2 1 1   3 1
            0.98271710300000        -0.13704211734300
            0.19070374050000         0.72778375162200
            0.06989516490000         0.67197490202300
   3 2 2   6 1
           68.38796085440001         0.02540448266200
           20.46231316880000         0.13774672134900
            7.43998319380000         0.39082510280600
            2.82899984260000         0.60240473982100
            1.01101010640000         0.57667329302400
            0.31217796470000         0.36358305046900
#
Cu qvSZP-GTH-q19 q-vSZP-GTH-q19 qvSZP-UZH-q19 q-vSZP-UZH-q19 qvSZP-q19 q-vSZP-q19
  3
   1 0 0   5 1
            1.45758284430000         0.09603950563500
            0.93329915600000        -0.42161826960300
            0.32947329050000         0.02456071632800
            0.14808673430000         0.70656171305300
            0.05332268050000         0.55962645126500
   2 1 1   3 1
            0.98271710300000        -0.13704211734300
            0.19070374050000         0.72778375162200
            0.06989516490000         0.67197490202300
   3 2 2   6 1
           68.38796085440001         0.02540448266200
           20.46231316880000         0.13774672134900
            7.43998319380000         0.39082510280600
            2.82899984260000         0.60240473982100
            1.01101010640000         0.57667329302400
            0.31217796470000         0.36358305046900
#
Zn qvSZP-GTH-q2 q-vSZP-GTH-q2 qvSZP-UZH-q2 q-vSZP-UZH-q2 qvSZP-q2 q-vSZP-q2
  3
   1 0 0   5 1
            1.82046632240000         0.15774245947000
            1.13274582070000        -0.41186264340400
            0.31504600490000         0.01760257304700
            0.14861727720000         0.71883773322800
            0.05129314220000         0.53707442888100
   2 1 1   3 1
            1.22375302100000        -0.05244651306700
            0.18364011180000         0.48827098612100
            0.04740596480000         0.87111469243700
   3 2 2   2 1
            0.18950480400000         0.11091506614200
            0.06265572640000         0.99382988891600
#
Zn qvSZP-GTH-q12 q-vSZP-GTH-q12 qvSZP-UZH-q12 q-vSZP-UZH-q12 qvSZP-q12 q-vSZP-q12
  3
   1 0 0   5 1
            1.82046632240000         0.15774245947000
            1.13274582070000        -0.41186264340400
            0.31504600490000         0.01760257304700
            0.14861727720000         0.71883773322800
            0.05129314220000         0.53707442888100
   2 1 1   3 1
            1.22375302100000        -0.05244651306700
            0.18364011180000         0.48827098612100
            0.04740596480000         0.87111469243700
   3 2 2   2 1
            0.18950480400000         0.11091506614200
            0.06265572640000         0.99382988891600
#
Zn qvSZP-GTH-q20 q-vSZP-GTH-q20 qvSZP-UZH-q20 q-vSZP-UZH-q20 qvSZP-q20 q-vSZP-q20
  3
   1 0 0   5 1
            1.82046632240000         0.15774245947000
            1.13274582070000        -0.41186264340400
            0.31504600490000         0.01760257304700
            0.14861727720000         0.71883773322800
            0.05129314220000         0.53707442888100
   2 1 1   3 1
            1.22375302100000        -0.05244651306700
            0.18364011180000         0.48827098612100
            0.04740596480000         0.87111469243700
   3 2 2   2 1
            0.18950480400000         0.11091506614200
            0.06265572640000         0.99382988891600
#
Ga qvSZP-GTH-q3 q-vSZP-GTH-q3 qvSZP-UZH-q3 q-vSZP-UZH-q3 qvSZP-q3 q-vSZP-q3
  3
   1 0 0   5 1
            3.21145922940000         0.18847356154000
            1.74379249290000        -0.50145224301200
            0.17947099860000         0.23015293940700
            0.20029249870000         0.58054293159000
            0.06788946450000         0.56835103029900
   2 1 1   4 1
            1.08708963140000        -0.30486043941300
            0.80201922290000         0.28785022763800
            0.20221210010000         0.43781968992400
            0.06909929840000         0.79530891988300
   3 2 2   2 1
            0.37473013390000         0.02108853820400
            0.10460588350000         0.99977761205000
#
Ga qvSZP-GTH-q13 q-vSZP-GTH-q13 qvSZP-UZH-q13 q-vSZP-UZH-q13 qvSZP-q13 q-vSZP-q13
  3
   1 0 0   5 1
            3.21145922940000         0.18847356154000
            1.74379249290000        -0.50145224301200
            0.17947099860000         0.23015293940700
            0.20029249870000         0.58054293159000
            0.06788946450000         0.56835103029900
   2 1 1   4 1
            1.08708963140000        -0.30486043941300
            0.80201922290000         0.28785022763800
            0.20221210010000         0.43781968992400
            0.06909929840000         0.79530891988300
   3 2 2   2 1
            0.37473013390000         0.02108853820400
            0.10460588350000         0.99977761205000
#
Ga qvSZP-GTH-q21 q-vSZP-GTH-q21 qvSZP-UZH-q21 q-vSZP-UZH-q21 qvSZP-q21 q-vSZP-q21
  3
   1 0 0   5 1
            3.21145922940000         0.18847356154000
            1.74379249290000        -0.50145224301200
            0.17947099860000         0.23015293940700
            0.20029249870000         0.58054293159000
            0.06788946450000         0.56835103029900
   2 1 1   4 1
            1.08708963140000        -0.30486043941300
            0.80201922290000         0.28785022763800
            0.20221210010000         0.43781968992400
            0.06909929840000         0.79530891988300
   3 2 2   2 1
            0.37473013390000         0.02108853820400
            0.10460588350000         0.99977761205000
#
Ge qvSZP-GTH-q4 q-vSZP-GTH-q4 qvSZP-UZH-q4 q-vSZP-UZH-q4 qvSZP-q4 q-vSZP-q4
  3
   1 0 0   6 1
            3.22675024770000         0.23628707872200
            1.90632188170000        -0.56181601553700
            0.28535273180000         0.23296666731000
            0.19436434790000         0.70205491571100
            0.07210499840000         0.13724870288200
            0.06034009510000         0.25007879142600
   2 1 1   5 1
            1.20929997560000        -0.34523794980200
            0.80405678350000         0.32339440159100
            0.22902178710000         0.67185107414600
            0.07971274710000         0.45007706015000
            0.07370947460000         0.34967641203200
   3 2 2   2 1
            0.38376338640000         0.28824605037100
            0.13769251600000         0.95755637664100
#
Ge qvSZP-GTH-q14 q-vSZP-GTH-q14 qvSZP-UZH-q14 q-vSZP-UZH-q14 qvSZP-q14 q-vSZP-q14
  3
   1 0 0   6 1
            3.22675024770000         0.23628707872200
            1.90632188170000        -0.56181601553700
            0.28535273180000         0.23296666731000
            0.19436434790000         0.70205491571100
            0.07210499840000         0.13724870288200
            0.06034009510000         0.25007879142600
   2 1 1   5 1
            1.20929997560000        -0.34523794980200
            0.80405678350000         0.32339440159100
            0.22902178710000         0.67185107414600
            0.07971274710000         0.45007706015000
            0.07370947460000         0.34967641203200
   3 2 2   2 1
            0.38376338640000         0.28824605037100
            0.13769251600000         0.95755637664100
#
Ge qvSZP-GTH-q22 q-vSZP-GTH-q22 qvSZP-UZH-q22 q-vSZP-UZH-q22 qvSZP-q22 q-vSZP-q22
  3
   1 0 0   6 1
            3.22675024770000         0.23628707872200
            1.90632188170000        -0.56181601553700
            0.28535273180000         0.23296666731000
            0.19436434790000         0.70205491571100
            0.07210499840000         0.13724870288200
            0.06034009510000         0.25007879142600
   2 1 1   5 1
            1.20929997560000        -0.34523794980200
            0.80405678350000         0.32339440159100
            0.22902178710000         0.67185107414600
            0.07971274710000         0.45007706015000
            0.07370947460000         0.34967641203200
   3 2 2   2 1
            0.38376338640000         0.28824605037100
            0.13769251600000         0.95755637664100
#
As qvSZP-GTH-q5 q-vSZP-GTH-q5 qvSZP-UZH-q5 q-vSZP-UZH-q5 qvSZP-q5 q-vSZP-q5
  3
   1 0 0   6 1
            3.41992692060000         0.18104175281600
            1.88408968040000        -0.54521317081900
            0.36444200760000         0.34699625388600
            0.22155504650000         0.68744766410800
            0.12796428770000         0.09517998368200
            0.07069253170000         0.26060806148500
   2 1 1   5 1
            1.34213397640000        -0.44366721323600
            0.96079644550000         0.40255101106500
            0.33348292270000         0.47987429433400
            0.17020277670000         0.55188841191000
            0.06597501130000         0.32596308046600
   3 2 2   2 1
            0.28613829570000         0.92321010788800
            0.08028413150000         0.38429558505600
#
As qvSZP-GTH-q15 q-vSZP-GTH-q15 qvSZP-UZH-q15 q-vSZP-UZH-q15 qvSZP-q15 q-vSZP-q15
  3
   1 0 0   6 1
            3.41992692060000         0.18104175281600
            1.88408968040000        -0.54521317081900
            0.36444200760000         0.34699625388600
            0.22155504650000         0.68744766410800
            0.12796428770000         0.09517998368200
            0.07069253170000         0.26060806148500
   2 1 1   5 1
            1.34213397640000        -0.44366721323600
            0.96079644550000         0.40255101106500
            0.33348292270000         0.47987429433400
            0.17020277670000         0.55188841191000
            0.06597501130000         0.32596308046600
   3 2 2   2 1
            0.28613829570000         0.92321010788800
            0.08028413150000         0.38429558505600
#
As qvSZP-GTH-q23 q-vSZP-GTH-q23 qvSZP-UZH-q23 q-vSZP-UZH-q23 qvSZP-q23 q-vSZP-q23
  3
   1 0 0   6 1
            3.41992692060000         0.18104175281600
            1.88408968040000        -0.54521317081900
            0.36444200760000         0.34699625388600
            0.22155504650000         0.68744766410800
            0.12796428770000         0.09517998368200
            0.07069253170000         0.26060806148500
   2 1 1   5 1
            1.34213397640000        -0.44366721323600
            0.96079644550000         0.40255101106500
            0.33348292270000         0.47987429433400
            0.17020277670000         0.55188841191000
            0.06597501130000         0.32596308046600
   3 2 2   2 1
            0.28613829570000         0.92321010788800
            0.08028413150000         0.38429558505600
#
Se qvSZP-GTH-q6 q-vSZP-GTH-q6 qvSZP-UZH-q6 q-vSZP-UZH-q6 qvSZP-q6 q-vSZP-q6
  3
   1 0 0   6 1
            3.70053595760000         0.23070379028500
            2.18818255460000        -0.58722903290600
            0.35689049230000         0.67542395295100
            0.18960101000000         0.33887197410200
            0.12925091700000         0.14808520858600
            0.06875528530000         0.09474631395000
   2 1 1   5 1
            1.46204974300000        -0.36768889971900
            1.03007925240000         0.36964854218300
            0.36828205950000         0.57338550609100
            0.18510167860000         0.55889309680700
            0.08024330620000         0.29501253538300
   3 2 2   2 1
            0.31539791360000         0.95558890318300
            0.11127998940000         0.29470298287200
#
Se qvSZP-GTH-q16 q-vSZP-GTH-q16 qvSZP-UZH-q16 q-vSZP-UZH-q16 qvSZP-q16 q-vSZP-q16
  3
   1 0 0   6 1
            3.70053595760000         0.23070379028500
            2.18818255460000        -0.58722903290600
            0.35689049230000         0.67542395295100
            0.18960101000000         0.33887197410200
            0.12925091700000         0.14808520858600
            0.06875528530000         0.09474631395000
   2 1 1   5 1
            1.46204974300000        -0.36768889971900
            1.03007925240000         0.36964854218300
            0.36828205950000         0.57338550609100
            0.18510167860000         0.55889309680700
            0.08024330620000         0.29501253538300
   3 2 2   2 1
            0.31539791360000         0.95558890318300
            0.11127998940000         0.29470298287200
#
Se qvSZP-GTH-q24 q-vSZP-GTH-q24 qvSZP-UZH-q24 q-vSZP-UZH-q24 qvSZP-q24 q-vSZP-q24
  3
   1 0 0   6 1
            3.70053595760000         0.23070379028500
            2.18818255460000        -0.58722903290600
            0.35689049230000         0.67542395295100
            0.18960101000000         0.33887197410200
            0.12925091700000         0.14808520858600
            0.06875528530000         0.09474631395000
   2 1 1   5 1
            1.46204974300000        -0.36768889971900
            1.03007925240000         0.36964854218300
            0.36828205950000         0.57338550609100
            0.18510167860000         0.55889309680700
            0.08024330620000         0.29501253538300
   3 2 2   2 1
            0.31539791360000         0.95558890318300
            0.11127998940000         0.29470298287200
#
Br qvSZP-GTH-q7 q-vSZP-GTH-q7 qvSZP-UZH-q7 q-vSZP-UZH-q7 qvSZP-q7 q-vSZP-q7
  3
   1 0 0   6 1
            4.60189818170000         0.14010688443400
            2.26959130830000        -0.53075749474900
            0.42951414190000         0.69494803351600
            0.24344077900000         0.38332362401300
            0.14234781570000         0.25208790864900
            0.07666277770000         0.07230808392800
   2 1 1   5 1
            1.76797755630000        -0.39877879755900
            1.31867159210000         0.35167293915300
            0.46875699250000         0.55209836952400
            0.20873381130000         0.57721110440300
            0.09013065570000         0.28163157814400
   3 2 2   2 1
            0.45244375370000         0.72095570451600
            0.18097419520000         0.69298114846300
#
Br qvSZP-GTH-q17 q-vSZP-GTH-q17 qvSZP-UZH-q17 q-vSZP-UZH-q17 qvSZP-q17 q-vSZP-q17
  3
   1 0 0   6 1
            4.60189818170000         0.14010688443400
            2.26959130830000        -0.53075749474900
            0.42951414190000         0.69494803351600
            0.24344077900000         0.38332362401300
            0.14234781570000         0.25208790864900
            0.07666277770000         0.07230808392800
   2 1 1   5 1
            1.76797755630000        -0.39877879755900
            1.31867159210000         0.35167293915300
            0.46875699250000         0.55209836952400
            0.20873381130000         0.57721110440300
            0.09013065570000         0.28163157814400
   3 2 2   2 1
            0.45244375370000         0.72095570451600
            0.18097419520000         0.69298114846300
#
Br qvSZP-GTH-q25 q-vSZP-GTH-q25 qvSZP-UZH-q25 q-vSZP-UZH-q25 qvSZP-q25 q-vSZP-q25
  3
   1 0 0   6 1
            4.60189818170000         0.14010688443400
            2.26959130830000        -0.53075749474900
            0.42951414190000         0.69494803351600
            0.24344077900000         0.38332362401300
            0.14234781570000         0.25208790864900
            0.07666277770000         0.07230808392800
   2 1 1   5 1
            1.76797755630000        -0.39877879755900
            1.31867159210000         0.35167293915300
            0.46875699250000         0.55209836952400
            0.20873381130000         0.57721110440300
            0.09013065570000         0.28163157814400
   3 2 2   2 1
            0.45244375370000         0.72095570451600
            0.18097419520000         0.69298114846300
#
Kr qvSZP-GTH-q8 q-vSZP-GTH-q8 qvSZP-UZH-q8 q-vSZP-UZH-q8 qvSZP-q8 q-vSZP-q8
  3
   1 0 0   6 1
            4.15491294770000         0.29041619810100
            2.81685503500000        -0.61209991972800
            0.46216168220000         0.66728574221500
            0.22023126560000         0.28668774594100
            0.16748834600000         0.11264911356000
            0.06846113740000         0.02902019859500
   2 1 1   5 1
            2.07873781570000        -0.34954703015600
            1.48416754970000         0.29439732877800
            0.56308221220000         0.55384647890100
            0.25193559940000         0.63198515337500
            0.10377806490000         0.29154061507700
   3 2 2   2 1
            0.48830894800000         0.60058612081600
            0.17378947560000         0.79956007371700
#
Kr qvSZP-GTH-q18 q-vSZP-GTH-q18 qvSZP-UZH-q18 q-vSZP-UZH-q18 qvSZP-q18 q-vSZP-q18
  3
   1 0 0   6 1
            4.15491294770000         0.29041619810100
            2.81685503500000        -0.61209991972800
            0.46216168220000         0.66728574221500
            0.22023126560000         0.28668774594100
            0.16748834600000         0.11264911356000
            0.06846113740000         0.02902019859500
   2 1 1   5 1
            2.07873781570000        -0.34954703015600
            1.48416754970000         0.29439732877800
            0.56308221220000         0.55384647890100
            0.25193559940000         0.63198515337500
            0.10377806490000         0.29154061507700
   3 2 2   2 1
            0.48830894800000         0.60058612081600
            0.17378947560000         0.79956007371700
#
Kr qvSZP-GTH-q26 q-vSZP-GTH-q26 qvSZP-UZH-q26 q-vSZP-UZH-q26 qvSZP-q26 q-vSZP-q26
  3
   1 0 0   6 1
            4.15491294770000         0.29041619810100
            2.81685503500000        -0.61209991972800
            0.46216168220000         0.66728574221500
            0.22023126560000         0.28668774594100
            0.16748834600000         0.11264911356000
            0.06846113740000         0.02902019859500
   2 1 1   5 1
            2.07873781570000        -0.34954703015600
            1.48416754970000         0.29439732877800
            0.56308221220000         0.55384647890100
            0.25193559940000         0.63198515337500
            0.10377806490000         0.29154061507700
   3 2 2   2 1
            0.48830894800000         0.60058612081600
            0.17378947560000         0.79956007371700
#
Rb qvSZP-GTH-q1 q-vSZP-GTH-q1 qvSZP-UZH-q1 q-vSZP-UZH-q1 qvSZP-q1 q-vSZP-q1
  3
   1 0 0   4 1
            0.55706135980000         0.26035713530800
            0.34839237680000        -0.53010596325500
            0.03080450420000         0.59276278417700
            0.01667366000000         0.54757110178500
   2 1 1   3 1
            0.16369205770000        -0.16102478576800
            0.07495790660000         0.15587982177600
            0.02242424360000         0.97456272221500
   3 2 2   2 1
            0.34446611070000         0.35637524454000
            0.09094650590000         0.93434291621400
#
Rb qvSZP-GTH-q9 q-vSZP-GTH-q9 qvSZP-UZH-q9 q-vSZP-UZH-q9 qvSZP-q9 q-vSZP-q9
  3
   1 0 0   4 1
            0.55706135980000         0.26035713530800
            0.34839237680000        -0.53010596325500
            0.03080450420000         0.59276278417700
            0.01667366000000         0.54757110178500
   2 1 1   3 1
            0.16369205770000        -0.16102478576800
            0.07495790660000         0.15587982177600
            0.02242424360000         0.97456272221500
   3 2 2   2 1
            0.34446611070000         0.35637524454000
            0.09094650590000         0.93434291621400
#
Sr qvSZP-GTH-q2 q-vSZP-GTH-q2 qvSZP-UZH-q2 q-vSZP-UZH-q2 qvSZP-q2 q-vSZP-q2
  3
   1 0 0   4 1
            0.63477289470000         0.22165738891000
            0.38220665460000        -0.54098373321700
            0.05409543430000         0.71393356550000
            0.02854686190000         0.38536147496600
   2 1 1   3 1
            0.19525976660000        -0.25551374704500
            0.10426984030000         0.47191413099200
            0.03420879880000         0.84380671841400
   3 2 2   3 1
            0.80769585700000         0.17459541116100
            0.27508380600000         0.46328451439200
            0.08701091860000         0.86884054988600
#
Sr qvSZP-GTH-q10 q-vSZP-GTH-q10 qvSZP-UZH-q10 q-vSZP-UZH-q10 qvSZP-q10 q-vSZP-q10
  3
   1 0 0   4 1
            0.63477289470000         0.22165738891000
            0.38220665460000        -0.54098373321700
            0.05409543430000         0.71393356550000
            0.02854686190000         0.38536147496600
   2 1 1   3 1
            0.19525976660000        -0.25551374704500
            0.10426984030000         0.47191413099200
            0.03420879880000         0.84380671841400
   3 2 2   3 1
            0.80769585700000         0.17459541116100
            0.27508380600000         0.46328451439200
            0.08701091860000         0.86884054988600
#
Y qvSZP-GTH-q3 q-vSZP-GTH-q3 qvSZP-UZH-q3 q-vSZP-UZH-q3 qvSZP-q3 q-vSZP-q3
  3
   1 0 0   5 1
            0.96128069650000         0.03555431025800
            0.32189927790000        -0.42490072030100
            0.10166671620000         0.41508084910500
            0.02831812420000         0.03862579416200
            0.03590720140000         0.80275226916000
   2 1 1   2 1
            0.33790830420000        -0.16838636323800
            0.07472540920000         0.98572107245200
   3 2 2   6 1
            8.54313738530000        -0.01102726348900
            2.04798093870000         0.04228799850100
            0.92803721460000         0.28711408171100
            0.38333391400000         0.57406434496700
            0.15750313260000         0.48200200878900
            0.07000546140000         0.59479393077500
#
Y qvSZP-GTH-q11 q-vSZP-GTH-q11 qvSZP-UZH-q11 q-vSZP-UZH-q11 qvSZP-q11 q-vSZP-q11
  3
   1 0 0   5 1
            0.96128069650000         0.03555431025800
            0.32189927790000        -0.42490072030100
            0.10166671620000         0.41508084910500
            0.02831812420000         0.03862579416200
            0.03590720140000         0.80275226916000
   2 1 1   2 1
            0.33790830420000        -0.16838636323800
            0.07472540920000         0.98572107245200
   3 2 2   6 1
            8.54313738530000        -0.01102726348900
            2.04798093870000         0.04228799850100
            0.92803721460000         0.28711408171100
            0.38333391400000         0.57406434496700
            0.15750313260000         0.48200200878900
            0.07000546140000         0.59479393077500
#
Zr qvSZP-GTH-q4 q-vSZP-GTH-q4 qvSZP-UZH-q4 q-vSZP-UZH-q4 qvSZP-q4 q-vSZP-q4
  3
   1 0 0   5 1
            0.50978798630000         0.11893094153300
            0.34071631260000        -0.54695198679700
            0.32247151620000         0.05671300939400
            0.15647674090000         0.27752734611400
            0.04848229880000         0.77875616338500
   2 1 1   3 1
            0.32159974080000        -0.14834285834800
            0.13670384850000         0.21627570640100
            0.05888689840000         0.96499700268900
   3 2 2   6 1
            9.94456667260000        -0.01218753919600
            2.28206493810000         0.06870873574200
            0.93519626650000         0.43976349430100
            0.37798626490000         0.67628300267700
            0.15569267000000         0.46881489933200
            0.06333566170000         0.35297667494600
#
Zr qvSZP-GTH-q12 q-vSZP-GTH-q12 qvSZP-UZH-q12 q-vSZP-UZH-q12 qvSZP-q12 q-vSZP-q12
  3
   1 0 0   5 1
            0.50978798630000         0.11893094153300
            0.34071631260000        -0.54695198679700
            0.32247151620000         0.05671300939400
            0.15647674090000         0.27752734611400
            0.04848229880000         0.77875616338500
   2 1 1   3 1
            0.32159974080000        -0.14834285834800
            0.13670384850000         0.21627570640100
            0.05888689840000         0.96499700268900
   3 2 2   6 1
            9.94456667260000        -0.01218753919600
            2.28206493810000         0.06870873574200
            0.93519626650000         0.43976349430100
            0.37798626490000         0.67628300267700
            0.15569267000000         0.46881489933200
            0.06333566170000         0.35297667494600
#
Nb qvSZP-GTH-q5 q-vSZP-GTH-q5 qvSZP-UZH-q5 q-vSZP-UZH-q5 qvSZP-q5 q-vSZP-q5
  3
   1 0 0   5 1
            0.76521060680000         0.09109531476700
            0.42621515860000        -0.47477191139600
            0.22015786000000         0.06299745401600
            0.11076633180000         0.40528840967000
            0.04760795280000         0.77334720633900
   2 1 1   3 1
            0.37595766250000        -0.17759068918300
            0.13216966390000         0.31941120013500
            0.06047005510000         0.93082653182200
   3 2 2   6 1
           10.18659339070000        -0.01572988800200
            1.87244782400000         0.17400982339000
            0.89791175770000         0.50603487141200
            0.39383492960000         0.69967338717500
            0.16252578960000         0.41462867442900
            0.07368495750000         0.22790803961900
#
Nb qvSZP-GTH-q13 q-vSZP-GTH-q13 qvSZP-UZH-q13 q-vSZP-UZH-q13 qvSZP-q13 q-vSZP-q13
  3
   1 0 0   5 1
            0.76521060680000         0.09109531476700
            0.42621515860000        -0.47477191139600
            0.22015786000000         0.06299745401600
            0.11076633180000         0.40528840967000
            0.04760795280000         0.77334720633900
   2 1 1   3 1
            0.37595766250000        -0.17759068918300
            0.13216966390000         0.31941120013500
            0.06047005510000         0.93082653182200
   3 2 2   6 1
           10.18659339070000        -0.01572988800200
            1.87244782400000         0.17400982339000
            0.89791175770000         0.50603487141200
            0.39383492960000         0.69967338717500
            0.16252578960000         0.41462867442900
            0.07368495750000         0.22790803961900
#
Mo qvSZP-GTH-q6 q-vSZP-GTH-q6 qvSZP-UZH-q6 q-vSZP-UZH-q6 qvSZP-q6 q-vSZP-q6
  3
   1 0 0   5 1
            0.72095076280000         0.15871837111200
            0.46310581080000        -0.57809422954200
            0.12945408500000         0.62270095704500
            0.04561078390000         0.28411478872100
            0.03617012690000         0.41489498113000
   2 1 1   3 1
            0.32712469270000        -0.39617007793800
            0.21026617670000         0.49978139824800
            0.06151972680000         0.77023880927400
   3 2 2   6 1
           11.44131051950000        -0.01790724800200
            3.26683591460000         0.05758477570600
            1.30996535060000         0.48775279964900
            0.55602994720000         0.68555839226900
            0.24248540110000         0.46960571994700
            0.11005528280000         0.26065434792600
#
Mo qvSZP-GTH-q14 q-vSZP-GTH-q14 qvSZP-UZH-q14 q-vSZP-UZH-q14 qvSZP-q14 q-vSZP-q14
  3
   1 0 0   5 1
            0.72095076280000         0.15871837111200
            0.46310581080000        -0.57809422954200
            0.12945408500000         0.62270095704500
            0.04561078390000         0.28411478872100
            0.03617012690000         0.41489498113000
   2 1 1   3 1
            0.32712469270000        -0.39617007793800
            0.21026617670000         0.49978139824800
            0.06151972680000         0.77023880927400
   3 2 2   6 1
           11.44131051950000        -0.01790724800200
            3.26683591460000         0.05758477570600
            1.30996535060000         0.48775279964900
            0.55602994720000         0.68555839226900
            0.24248540110000         0.46960571994700
            0.11005528280000         0.26065434792600
#
Tc qvSZP-GTH-q7 q-vSZP-GTH-q7 qvSZP-UZH-q7 q-vSZP-UZH-q7 qvSZP-q7 q-vSZP-q7
  3
   1 0 0   5 1
            0.97991539960000         0.05327958807500
            0.45747736390000        -0.48812242882400
            0.11361853340000         0.63266794967500
            0.32784162910000         0.07981371300200
            0.04804759800000         0.59351395657100
   2 1 1   2 1
            0.51009520750000        -0.13893625948900
            0.10214507120000         0.99030132575900
   3 2 2   6 1
           13.29333231570000        -0.01831640116300
            4.52034802480000         0.03830080756400
            1.64218504070000         0.42409271769000
            0.76706977160000         0.64684947117900
            0.34654460030000         0.56451244885300
            0.14094027820000         0.28505154115700
#
Tc qvSZP-GTH-q15 q-vSZP-GTH-q15 qvSZP-UZH-q15 q-vSZP-UZH-q15 qvSZP-q15 q-vSZP-q15
  3
   1 0 0   5 1
            0.97991539960000         0.05327958807500
            0.45747736390000        -0.48812242882400
            0.11361853340000         0.63266794967500
            0.32784162910000         0.07981371300200
            0.04804759800000         0.59351395657100
   2 1 1   2 1
            0.51009520750000        -0.13893625948900
            0.10214507120000         0.99030132575900
   3 2 2   6 1
           13.29333231570000        -0.01831640116300
            4.52034802480000         0.03830080756400
            1.64218504070000         0.42409271769000
            0.76706977160000         0.64684947117900
            0.34654460030000         0.56451244885300
            0.14094027820000         0.28505154115700
#
Ru qvSZP-GTH-q8 q-vSZP-GTH-q8 qvSZP-UZH-q8 q-vSZP-UZH-q8 qvSZP-q8 q-vSZP-q8
  3
   1 0 0   5 1
            1.04905282100000         0.11585923860300
            0.60009981770000        -0.44380370917200
            0.11696048820000         0.58211573855500
            0.08308875610000         0.04354404044300
            0.03909443650000         0.66997021428100
   2 1 1   3 1
            0.52817216820000        -0.14035630645100
            0.13499468250000         0.47571229238100
            0.04189144200000         0.86833053736300
   3 2 2   6 1
           14.15704444630000        -0.01866875768500
            3.86245224000000         0.05273599539800
            1.72058437200000         0.45273210901200
            0.80929938080000         0.63488236647600
            0.35417392760000         0.55922736160500
            0.13582710500000         0.27584990214800
#
Ru qvSZP-GTH-q16 q-vSZP-GTH-q16 qvSZP-UZH-q16 q-vSZP-UZH-q16 qvSZP-q16 q-vSZP-q16
  3
   1 0 0   5 1
            1.04905282100000         0.11585923860300
            0.60009981770000        -0.44380370917200
            0.11696048820000         0.58211573855500
            0.08308875610000         0.04354404044300
            0.03909443650000         0.66997021428100
   2 1 1   3 1
            0.52817216820000        -0.14035630645100
            0.13499468250000         0.47571229238100
            0.04189144200000         0.86833053736300
   3 2 2   6 1
           14.15704444630000        -0.01866875768500
            3.86245224000000         0.05273599539800
            1.72058437200000         0.45273210901200
            0.80929938080000         0.63488236647600
            0.35417392760000         0.55922736160500
            0.13582710500000         0.27584990214800
#
Rh qvSZP-GTH-q9 q-vSZP-GTH-q9 qvSZP-UZH-q9 q-vSZP-UZH-q9 qvSZP-q9 q-vSZP-q9
  3
   1 0 0   5 1
            1.06384391710000         0.19867424346300
            0.70143099050000        -0.53014328894400
            0.13565985550000         0.53244565058700
            0.07075131450000         0.11491517152500
            0.04631147450000         0.61868632657900
   2 1 1   3 1
            0.51903475030000        -0.19040531789100
            0.14222182680000         0.55824411447300
            0.04822432120000         0.80753286222600
   3 2 2   6 1
           17.29247754120000        -0.01769077582200
            5.22100687790000         0.05034947341600
            1.80651584740000         0.54170902167900
            0.79134788870000         0.66987979190300
            0.33822337750000         0.47596965909400
            0.13169721920000         0.16857417011800
#
Rh qvSZP-GTH-q17 q-vSZP-GTH-q17 qvSZP-UZH-q17 q-vSZP-UZH-q17 qvSZP-q17 q-vSZP-q17
  3
   1 0 0   5 1
            1.06384391710000         0.19867424346300
            0.70143099050000        -0.53014328894400
            0.13565985550000         0.53244565058700
            0.07075131450000         0.11491517152500
            0.04631147450000         0.61868632657900
   2 1 1   3 1
            0.51903475030000        -0.19040531789100
            0.14222182680000         0.55824411447300
            0.04822432120000         0.80753286222600
   3 2 2   6 1
           17.29247754120000        -0.01769077582200
            5.22100687790000         0.05034947341600
            1.80651584740000         0.54170902167900
            0.79134788870000         0.66987979190300
            0.33822337750000         0.47596965909400
            0.13169721920000         0.16857417011800
#
Pd qvSZP-GTH-q10 q-vSZP-GTH-q10 qvSZP-UZH-q10 q-vSZP-UZH-q10 qvSZP-q10 q-vSZP-q10
  3
   1 0 0   5 1
            1.03071434890000         0.16026553617600
            0.65585016060000        -0.53458201277600
            0.14754637870000         0.47897268023300
            0.06792380160000         0.65867393692100
            0.02379632540000         0.15896806579400
   2 1 1   3 1
            0.62190428130000        -0.19806575732000
            0.13467043370000         0.79194053328400
            0.05213313750000         0.57758129083200
   3 2 2   6 1
           18.21226873550000        -0.01603495817900
            3.48154730370000         0.12487456369300
            1.75476538310000         0.55163018966400
            0.81459760290000         0.62738743853400
            0.36258092860000         0.49546818104800
            0.13683858980000         0.20186540280500
#
Pd qvSZP-GTH-q18 q-vSZP-GTH-q18 qvSZP-UZH-q18 q-vSZP-UZH-q18 qvSZP-q18 q-vSZP-q18
  3
   1 0 0   5 1
            1.03071434890000         0.16026553617600
            0.65585016060000        -0.53458201277600
            0.14754637870000         0.47897268023300
            0.06792380160000         0.65867393692100
            0.02379632540000         0.15896806579400
   2 1 1   3 1
            0.62190428130000        -0.19806575732000
            0.13467043370000         0.79194053328400
            0.05213313750000         0.57758129083200
   3 2 2   6 1
           18.21226873550000        -0.01603495817900
            3.48154730370000         0.12487456369300
            1.75476538310000         0.55163018966400
            0.81459760290000         0.62738743853400
            0.36258092860000         0.49546818104800
            0.13683858980000         0.20186540280500
#
Ag qvSZP-GTH-q1 q-vSZP-GTH-q1 qvSZP-UZH-q1 q-vSZP-UZH-q1 qvSZP-q1 q-vSZP-q1
  3
   1 0 0   5 1
            1.41482684030000         0.05701984049200
            0.65891369610000        -0.39389323872400
            0.13052178940000         0.62295473519200
            0.07371454290000         0.07688717599000
            0.04169805040000         0.66903857463400
   2 1 1   3 1
            0.57363213080000        -0.24033613996000
            0.16107386470000         0.67087560059200
            0.07423280990000         0.70154434525500
   3 2 2   6 1
           17.55856777820000        -0.01966728013800
            4.49028654100000         0.05098646148600
            2.29732095920000         0.46018866841300
            1.06773580960000         0.67531367333700
            0.44200185940000         0.53651563731300
            0.16825425090000         0.20332826125300
#
Ag qvSZP-GTH-q11 q-vSZP-GTH-q11 qvSZP-UZH-q11 q-vSZP-UZH-q11 qvSZP-q11 q-vSZP-q11
  3
   1 0 0   5 1
            1.41482684030000         0.05701984049200
            0.65891369610000        -0.39389323872400
            0.13052178940000         0.62295473519200
            0.07371454290000         0.07688717599000
            0.04169805040000         0.66903857463400
   2 1 1   3 1
            0.57363213080000        -0.24033613996000
            0.16107386470000         0.67087560059200
            0.07423280990000         0.70154434525500
   3 2 2   6 1
           17.55856777820000        -0.01966728013800
            4.49028654100000         0.05098646148600
            2.29732095920000         0.46018866841300
            1.06773580960000         0.67531367333700
            0.44200185940000         0.53651563731300
            0.16825425090000         0.20332826125300
#
Ag qvSZP-GTH-q19 q-vSZP-GTH-q19 qvSZP-UZH-q19 q-vSZP-UZH-q19 qvSZP-q19 q-vSZP-q19
  3
   1 0 0   5 1
            1.41482684030000         0.05701984049200
            0.65891369610000        -0.39389323872400
            0.13052178940000         0.62295473519200
            0.07371454290000         0.07688717599000
            0.04169805040000         0.66903857463400
   2 1 1   3 1
            0.57363213080000        -0.24033613996000
            0.16107386470000         0.67087560059200
            0.07423280990000         0.70154434525500
   3 2 2   6 1
           17.55856777820000        -0.01966728013800
            4.49028654100000         0.05098646148600
            2.29732095920000         0.46018866841300
            1.06773580960000         0.67531367333700
            0.44200185940000         0.53651563731300
            0.16825425090000         0.20332826125300
#
Cd qvSZP-GTH-q2 q-vSZP-GTH-q2 qvSZP-UZH-q2 q-vSZP-UZH-q2 qvSZP-q2 q-vSZP-q2
  3
   1 0 0   5 1
            1.61100732080000         0.12007364978800
            0.79787542220000        -0.44116059128200
            0.21825509210000         0.04027521194100
            0.12810622230000         0.71529941859400
            0.04591954020000         0.52695758879500
   2 1 1   3 1
            0.75536532170000        -0.10563619387100
            0.16139807770000         0.44357135393000
            0.04430422340000         0.88999182497200
   3 2 2   2 1
            0.09561112970000         0.06660063233400
            0.04704583280000         0.99777971304900
#
Cd qvSZP-GTH-q12 q-vSZP-GTH-q12 qvSZP-UZH-q12 q-vSZP-UZH-q12 qvSZP-q12 q-vSZP-q12
  3
   1 0 0   5 1
            1.61100732080000         0.12007364978800
            0.79787542220000        -0.44116059128200
            0.21825509210000         0.04027521194100
            0.12810622230000         0.71529941859400
            0.04591954020000         0.52695758879500
   2 1 1   3 1
            0.75536532170000        -0.10563619387100
            0.16139807770000         0.44357135393000
            0.04430422340000         0.88999182497200
   3 2 2   2 1
            0.09561112970000         0.06660063233400
            0.04704583280000         0.99777971304900
#
Cd qvSZP-GTH-q20 q-vSZP-GTH-q20 qvSZP-UZH-q20 q-vSZP-UZH-q20 qvSZP-q20 q-vSZP-q20
  3
   1 0 0   5 1
            1.61100732080000         0.12007364978800
            0.79787542220000        -0.44116059128200
            0.21825509210000         0.04027521194100
            0.12810622230000         0.71529941859400
            0.04591954020000         0.52695758879500
   2 1 1   3 1
            0.75536532170000        -0.10563619387100
            0.16139807770000         0.44357135393000
            0.04430422340000         0.88999182497200
   3 2 2   2 1
            0.09561112970000         0.06660063233400
            0.04704583280000         0.99777971304900
#
In qvSZP-GTH-q3 q-vSZP-GTH-q3 qvSZP-UZH-q3 q-vSZP-UZH-q3 qvSZP-q3 q-vSZP-q3
  3
   1 0 0   5 1
            1.33129621510000         0.37007622395700
            0.95316690450000        -0.69858983734800
            0.31933246930000         0.16533505175100
            0.14377391730000         0.44494351698000
            0.06123043300000         0.38691784008300
   2 1 1   4 1
            1.44278430030000         0.24808283727800
            1.20932969300000        -0.36256192547100
            0.19218678270000         0.39525021499800
            0.06112387380000         0.80670999968400
   3 2 2   2 1
            0.10366810140000         0.26898218613700
            0.08021565660000         0.96314515185500
#
In qvSZP-GTH-q13 q-vSZP-GTH-q13 qvSZP-UZH-q13 q-vSZP-UZH-q13 qvSZP-q13 q-vSZP-q13
  3
   1 0 0   5 1
            1.33129621510000         0.37007622395700
            0.95316690450000        -0.69858983734800
            0.31933246930000         0.16533505175100
            0.14377391730000         0.44494351698000
            0.06123043300000         0.38691784008300
   2 1 1   4 1
            1.44278430030000         0.24808283727800
            1.20932969300000        -0.36256192547100
            0.19218678270000         0.39525021499800
            0.06112387380000         0.80670999968400
   3 2 2   2 1
            0.10366810140000         0.26898218613700
            0.08021565660000         0.96314515185500
#
In qvSZP-GTH-q21 q-vSZP-GTH-q21 qvSZP-UZH-q21 q-vSZP-UZH-q21 qvSZP-q21 q-vSZP-q21
  3
   1 0 0   5 1
            1.33129621510000         0.37007622395700
            0.95316690450000        -0.69858983734800
            0.31933246930000         0.16533505175100
            0.14377391730000         0.44494351698000
            0.06123043300000         0.38691784008300
   2 1 1   4 1
            1.44278430030000         0.24808283727800
            1.20932969300000        -0.36256192547100
            0.19218678270000         0.39525021499800
            0.06112387380000         0.80670999968400
   3 2 2   2 1
            0.10366810140000         0.26898218613700
            0.08021565660000         0.96314515185500
#
Sn qvSZP-GTH-q4 q-vSZP-GTH-q4 qvSZP-UZH-q4 q-vSZP-UZH-q4 qvSZP-q4 q-vSZP-q4
  3
   1 0 0   6 1
            2.27273274620000         0.21727954957600
            1.20114512350000        -0.63399592493600
            0.42135171330000         0.12154961760600
            0.18088634450000         0.55182759671000
            0.13353725260000         0.36162940608300
            0.04881792940000         0.31745067510700
   2 1 1   5 1
            2.31081810350000         0.12615499450400
            1.60148288420000        -0.27817392706800
            0.21808519010000         0.73648206240200
            0.08056280990000         0.49048283406200
            0.05932887950000         0.35174556843200
   3 2 2   2 1
            0.19299553270000         0.56360947513500
            0.08905280380000         0.82604137882900
#
Sn qvSZP-GTH-q14 q-vSZP-GTH-q14 qvSZP-UZH-q14 q-vSZP-UZH-q14 qvSZP-q14 q-vSZP-q14
  3
   1 0 0   6 1
            2.27273274620000         0.21727954957600
            1.20114512350000        -0.63399592493600
            0.42135171330000         0.12154961760600
            0.18088634450000         0.55182759671000
            0.13353725260000         0.36162940608300
            0.04881792940000         0.31745067510700
   2 1 1   5 1
            2.31081810350000         0.12615499450400
            1.60148288420000        -0.27817392706800
            0.21808519010000         0.73648206240200
            0.08056280990000         0.49048283406200
            0.05932887950000         0.35174556843200
   3 2 2   2 1
            0.19299553270000         0.56360947513500
            0.08905280380000         0.82604137882900
#
Sn qvSZP-GTH-q22 q-vSZP-GTH-q22 qvSZP-UZH-q22 q-vSZP-UZH-q22 qvSZP-q22 q-vSZP-q22
  3
   1 0 0   6 1
            2.27273274620000         0.21727954957600
            1.20114512350000        -0.63399592493600
            0.42135171330000         0.12154961760600
            0.18088634450000         0.55182759671000
            0.13353725260000         0.36162940608300
            0.04881792940000         0.31745067510700
   2 1 1   5 1
            2.31081810350000         0.12615499450400
            1.60148288420000        -0.27817392706800
            0.21808519010000         0.73648206240200
            0.08056280990000         0.49048283406200
            0.05932887950000         0.35174556843200
   3 2 2   2 1
            0.19299553270000         0.56360947513500
            0.08905280380000         0.82604137882900
#
Sb qvSZP-GTH-q5 q-vSZP-GTH-q5 qvSZP-UZH-q5 q-vSZP-UZH-q5 qvSZP-q5 q-vSZP-q5
  3
   1 0 0   6 1
            1.95064582550000         0.41873337022400
            1.40101025280000        -0.73539747096500
            0.33814462260000         0.15365944722900
            0.22328078390000         0.25375117753500
            0.14647522070000         0.41971961191200
            0.05118286200000         0.14031210180600
   2 1 1   5 1
            2.06860516250000         0.16983966809900
            1.38776705280000        -0.39529118738800
            0.27841283000000         0.60340591801000
            0.13257258180000         0.57903991463000
            0.05593475140000         0.33987268158700
   3 2 2   2 1
            0.18577226730000         0.96499540004400
            0.15652799070000         0.26226680669500
#
Sb qvSZP-GTH-q15 q-vSZP-GTH-q15 qvSZP-UZH-q15 q-vSZP-UZH-q15 qvSZP-q15 q-vSZP-q15
  3
   1 0 0   6 1
            1.95064582550000         0.41873337022400
            1.40101025280000        -0.73539747096500
            0.33814462260000         0.15365944722900
            0.22328078390000         0.25375117753500
            0.14647522070000         0.41971961191200
            0.05118286200000         0.14031210180600
   2 1 1   5 1
            2.06860516250000         0.16983966809900
            1.38776705280000        -0.39529118738800
            0.27841283000000         0.60340591801000
            0.13257258180000         0.57903991463000
            0.05593475140000         0.33987268158700
   3 2 2   2 1
            0.18577226730000         0.96499540004400
            0.15652799070000         0.26226680669500
#
Sb qvSZP-GTH-q23 q-vSZP-GTH-q23 qvSZP-UZH-q23 q-vSZP-UZH-q23 qvSZP-q23 q-vSZP-q23
  3
   1 0 0   6 1
            1.95064582550000         0.41873337022400
            1.40101025280000        -0.73539747096500
            0.33814462260000         0.15365944722900
            0.22328078390000         0.25375117753500
            0.14647522070000         0.41971961191200
            0.05118286200000         0.14031210180600
   2 1 1   5 1
            2.06860516250000         0.16983966809900
            1.38776705280000        -0.39529118738800
            0.27841283000000         0.60340591801000
            0.13257258180000         0.57903991463000
            0.05593475140000         0.33987268158700
   3 2 2   2 1
            0.18577226730000         0.96499540004400
            0.15652799070000         0.26226680669500
#
Te qvSZP-GTH-q6 q-vSZP-GTH-q6 qvSZP-UZH-q6 q-vSZP-UZH-q6 qvSZP-q6 q-vSZP-q6
  3
   1 0 0   6 1
            2.26791419210000         0.33157135841200
            1.59307083110000        -0.63327588136900
            0.33559322220000         0.09740148266700
            0.21890370430000         0.65559075620300
            0.18045505150000         0.03471709317600
            0.07846020880000         0.22029645333800
   2 1 1   5 1
            2.32086984140000         0.19451719720300
            1.55204462110000        -0.43496446212100
            0.35961008400000         0.46252488499200
            0.16583445060000         0.67617092942900
            0.06520143900000         0.31911217720800
   3 2 2   2 1
            0.18819483760000         0.95672068134500
            0.04129662870000         0.29100779695300
#
Te qvSZP-GTH-q16 q-vSZP-GTH-q16 qvSZP-UZH-q16 q-vSZP-UZH-q16 qvSZP-q16 q-vSZP-q16
  3
   1 0 0   6 1
            2.26791419210000         0.33157135841200
            1.59307083110000        -0.63327588136900
            0.33559322220000         0.09740148266700
            0.21890370430000         0.65559075620300
            0.18045505150000         0.03471709317600
            0.07846020880000         0.22029645333800
   2 1 1   5 1
            2.32086984140000         0.19451719720300
            1.55204462110000        -0.43496446212100
            0.35961008400000         0.46252488499200
            0.16583445060000         0.67617092942900
            0.06520143900000         0.31911217720800
   3 2 2   2 1
            0.18819483760000         0.95672068134500
            0.04129662870000         0.29100779695300
#
Te qvSZP-GTH-q24 q-vSZP-GTH-q24 qvSZP-UZH-q24 q-vSZP-UZH-q24 qvSZP-q24 q-vSZP-q24
  3
   1 0 0   6 1
            2.26791419210000         0.33157135841200
            1.59307083110000        -0.63327588136900
            0.33559322220000         0.09740148266700
            0.21890370430000         0.65559075620300
            0.18045505150000         0.03471709317600
            0.07846020880000         0.22029645333800
   2 1 1   5 1
            2.32086984140000         0.19451719720300
            1.55204462110000        -0.43496446212100
            0.35961008400000         0.46252488499200
            0.16583445060000         0.67617092942900
            0.06520143900000         0.31911217720800
   3 2 2   2 1
            0.18819483760000         0.95672068134500
            0.04129662870000         0.29100779695300
#
I qvSZP-GTH-q7 q-vSZP-GTH-q7 qvSZP-UZH-q7 q-vSZP-UZH-q7 qvSZP-q7 q-vSZP-q7
  3
   1 0 0   6 1
            2.58297860250000         0.33316379355700
            1.63520480030000        -0.73248616370800
            0.33397890840000         0.36588772001500
            0.27197302340000         0.25163796180600
            0.20802333180000         0.27984283007200
            0.09959373450000         0.27741378771700
   2 1 1   5 1
            0.93714581790000        -0.54361851659700
            0.66474562290000         0.60819424925900
            0.21482311350000         0.48773181533600
            0.18879705120000         0.10441212583700
            0.08270589850000         0.29290689283100
   3 2 2   2 1
            0.24740290370000         0.88846901945100
            0.12400238100000         0.45893659853700
#
I qvSZP-GTH-q17 q-vSZP-GTH-q17 qvSZP-UZH-q17 q-vSZP-UZH-q17 qvSZP-q17 q-vSZP-q17
  3
   1 0 0   6 1
            2.58297860250000         0.33316379355700
            1.63520480030000        -0.73248616370800
            0.33397890840000         0.36588772001500
            0.27197302340000         0.25163796180600
            0.20802333180000         0.27984283007200
            0.09959373450000         0.27741378771700
   2 1 1   5 1
            0.93714581790000        -0.54361851659700
            0.66474562290000         0.60819424925900
            0.21482311350000         0.48773181533600
            0.18879705120000         0.10441212583700
            0.08270589850000         0.29290689283100
   3 2 2   2 1
            0.24740290370000         0.88846901945100
            0.12400238100000         0.45893659853700
#
I qvSZP-GTH-q25 q-vSZP-GTH-q25 qvSZP-UZH-q25 q-vSZP-UZH-q25 qvSZP-q25 q-vSZP-q25
  3
   1 0 0   6 1
            2.58297860250000         0.33316379355700
            1.63520480030000        -0.73248616370800
            0.33397890840000         0.36588772001500
            0.27197302340000         0.25163796180600
            0.20802333180000         0.27984283007200
            0.09959373450000         0.27741378771700
   2 1 1   5 1
            0.93714581790000        -0.54361851659700
            0.66474562290000         0.60819424925900
            0.21482311350000         0.48773181533600
            0.18879705120000         0.10441212583700
            0.08270589850000         0.29290689283100
   3 2 2   2 1
            0.24740290370000         0.88846901945100
            0.12400238100000         0.45893659853700
#
Xe qvSZP-GTH-q8 q-vSZP-GTH-q8 qvSZP-UZH-q8 q-vSZP-UZH-q8 qvSZP-q8 q-vSZP-q8
  3
   1 0 0   6 1
            2.66560851300000         0.36055692147100
            1.76428518690000        -0.72436746143900
            0.38762723080000         0.43825959243800
            0.33629487820000         0.08195592434200
            0.18023140330000         0.37580810280600
            0.07156656730000         0.07259829994400
   2 1 1   5 1
            1.03668644860000        -0.58230507943400
            0.77269655150000         0.64021625493300
            0.27530713690000         0.31854449822800
            0.18539561280000         0.33619602159100
            0.07747131380000         0.19116898048700
   3 2 2   2 1
            0.20575640600000         0.59693366675600
            0.06586354730000         0.80229059417000
#
Xe qvSZP-GTH-q18 q-vSZP-GTH-q18 qvSZP-UZH-q18 q-vSZP-UZH-q18 qvSZP-q18 q-vSZP-q18
  3
   1 0 0   6 1
            2.66560851300000         0.36055692147100
            1.76428518690000        -0.72436746143900
            0.38762723080000         0.43825959243800
            0.33629487820000         0.08195592434200
            0.18023140330000         0.37580810280600
            0.07156656730000         0.07259829994400
   2 1 1   5 1
            1.03668644860000        -0.58230507943400
            0.77269655150000         0.64021625493300
            0.27530713690000         0.31854449822800
            0.18539561280000         0.33619602159100
            0.07747131380000         0.19116898048700
   3 2 2   2 1
            0.20575640600000         0.59693366675600
            0.06586354730000         0.80229059417000
#
Xe qvSZP-GTH-q26 q-vSZP-GTH-q26 qvSZP-UZH-q26 q-vSZP-UZH-q26 qvSZP-q26 q-vSZP-q26
  3
   1 0 0   6 1
            2.66560851300000         0.36055692147100
            1.76428518690000        -0.72436746143900
            0.38762723080000         0.43825959243800
            0.33629487820000         0.08195592434200
            0.18023140330000         0.37580810280600
            0.07156656730000         0.07259829994400
   2 1 1   5 1
            1.03668644860000        -0.58230507943400
            0.77269655150000         0.64021625493300
            0.27530713690000         0.31854449822800
            0.18539561280000         0.33619602159100
            0.07747131380000         0.19116898048700
   3 2 2   2 1
            0.20575640600000         0.59693366675600
            0.06586354730000         0.80229059417000
#
Cs qvSZP-GTH-q1 q-vSZP-GTH-q1 qvSZP-UZH-q1 q-vSZP-UZH-q1 qvSZP-q1 q-vSZP-q1
  3
   1 0 0   4 1
            0.34948615530000         0.54111653875900
            0.29221195020000        -0.70719094680400
            0.02318768960000         0.38894595022700
            0.01982694710000         0.23620944951900
   2 1 1   3 1
            0.12335304030000        -0.24095276934000
            0.09831265280000         0.17467387944900
            0.02145489930000         0.95468884919900
   3 2 2   2 1
            0.23747795220000         0.31207133175000
            0.07077643220000         0.95005867392500
#
Cs qvSZP-GTH-q9 q-vSZP-GTH-q9 qvSZP-UZH-q9 q-vSZP-UZH-q9 qvSZP-q9 q-vSZP-q9
  3
   1 0 0   4 1
            0.34948615530000         0.54111653875900
            0.29221195020000        -0.70719094680400
            0.02318768960000         0.38894595022700
            0.01982694710000         0.23620944951900
   2 1 1   3 1
            0.12335304030000        -0.24095276934000
            0.09831265280000         0.17467387944900
            0.02145489930000         0.95468884919900
   3 2 2   2 1
            0.23747795220000         0.31207133175000
            0.07077643220000         0.95005867392500
#
Ba qvSZP-GTH-q2 q-vSZP-GTH-q2 qvSZP-UZH-q2 q-vSZP-UZH-q2 qvSZP-q2 q-vSZP-q2
  3
   1 0 0   4 1
            0.41814108380000         0.45397812559700
            0.33391416540000        -0.65762922938100
            0.03598412030000         0.59615512184300
            0.02764292380000         0.07763200913700
   2 1 1   3 1
            0.13133647900000        -0.48164274402000
            0.10720391990000         0.62975023985600
            0.02690312190000         0.60945459431700
   3 2 2   3 1
            0.34537063330000        -0.02562284263500
            0.12353248610000         0.83920516680600
            0.03860381750000         0.54321097001200
#
Ba qvSZP-GTH-q10 q-vSZP-GTH-q10 qvSZP-UZH-q10 q-vSZP-UZH-q10 qvSZP-q10 q-vSZP-q10
  3
   1 0 0   4 1
            0.41814108380000         0.45397812559700
            0.33391416540000        -0.65762922938100
            0.03598412030000         0.59615512184300
            0.02764292380000         0.07763200913700
   2 1 1   3 1
            0.13133647900000        -0.48164274402000
            0.10720391990000         0.62975023985600
            0.02690312190000         0.60945459431700
   3 2 2   3 1
            0.34537063330000        -0.02562284263500
            0.12353248610000         0.83920516680600
            0.03860381750000         0.54321097001200
#
La qvSZP-GTH-q11 q-vSZP-GTH-q11 qvSZP-UZH-q11 q-vSZP-UZH-q11 qvSZP-q11 q-vSZP-q11
  3
   1 0 0   4 1
            0.44849148280000         0.06207841349800
            0.21721818640000        -0.48655957056300
            0.08473130620000         0.38879674817400
            0.03471983380000         0.77989944446700
   2 1 1   2 1
            0.19660012830000        -0.27376159155200
            0.06125132950000         0.96179758317000
   3 2 2   5 1
            2.99081010810000        -0.01671658367000
            0.46644264810000         0.43231461674500
            0.31530670140000        -0.01376855738300
            0.17347297400000         0.62131797894000
            0.06499550300000         0.65314548444600
#
Ce qvSZP-GTH-q12 q-vSZP-GTH-q12 qvSZP-UZH-q12 q-vSZP-UZH-q12 qvSZP-q12 q-vSZP-q12
  9
   1 0 0   8 1
          294.22416434799999        -0.00085949742500
          137.92186294030000         0.00866149190600
           70.82070716000000        -0.02978656771200
           25.89399190500000         0.18898992590700
           10.35136964010000        -0.67643321525100
            3.67196333340000         0.55523578047500
            1.88296597630000         0.44160538032000
            0.59449083600000         0.04955632724300
   1 0 0   8 1
           52.72941416350000         0.01298541009600
           33.74284083210000        -0.03816015413100
           21.25902416500000        -0.04158173959300
            9.66972013950000         0.36118752497500
            3.49390238190000        -0.49448107216800
            1.67294423770000        -0.37716427402200
            0.57144541690000         0.62169953401600
            0.25582296670000         0.30481958855700
   1 0 0   7 1
            7.62672985090000        -0.11990363311400
            3.84197331140000         0.17595100258100
            1.33754076380000         0.21481958923900
            0.46387225750000        -0.49359922734400
            0.28514680660000        -0.15818599294400
            0.04938232630000         0.77412658113100
            0.01663950570000         0.20144959251500
   2 1 1   8 1
          329.18466379559999         0.00017401306200
           42.70683210110000        -0.00596243981000
           30.89299150290000         0.04587320464800
           11.36510948350000        -0.38121974739700
            4.89506463520000         0.55849447617900
            2.33152919530000         0.72104678144400
            1.01381665110000         0.14331818157600
            0.50938084240000        -0.01292014696500
   2 1 1   7 1
           35.84485702060000        -0.01019111628400
           10.79988309120000         0.17600487445600
            5.23738354180000        -0.29025775712000
            2.38655209350000        -0.42529314963800
            0.99862013410000         0.18717061455600
            0.46996452170000         0.74257334559400
            0.19017746680000         0.34255887680800
   2 1 1   4 1
            2.70324627120000         0.10804109583300
            0.82682940260000        -0.08528435227400
            0.32417836120000        -0.20215842675200
            0.03232167870000         0.96963171944900
   3 2 2   7 1
           36.31973552210000         0.01563188202200
           15.96536252860000        -0.09215094299300
            7.54710980130000         0.24544524738800
            3.81519284570000         0.74935106449000
            1.69695820100000         0.60045897910900
            0.64296259660000         0.09376436678700
            0.16858304030000        -0.01227674961200
   3 2 2   7 1
           14.77441856970000         0.01841417556600
            8.46373443750000        -0.04453615074400
            4.06727313720000        -0.20255495983900
            2.00167222060000        -0.07630226981900
            0.49582439350000         0.52734915380100
            0.15770752440000         0.77817787843000
            0.04155537820000         0.25916975284300
   4 3 3   7 1
           33.24542261690000         0.05894218938300
           11.56474905560000         0.25754208233500
            4.44332269370000         0.50426234382000
            1.74988186310000         0.57085647907500
            0.65204817050000         0.50153554930800
            0.24131527790000         0.24916160806600
            0.08154970490000         0.19084247138800
#
Ce qvSZP-GTH-q30 q-vSZP-GTH-q30 qvSZP-UZH-q30 q-vSZP-UZH-q30 qvSZP-q30 q-vSZP-q30
  9
   1 0 0   8 1
          294.22416434799999        -0.00085949742500
          137.92186294030000         0.00866149190600
           70.82070716000000        -0.02978656771200
           25.89399190500000         0.18898992590700
           10.35136964010000        -0.67643321525100
            3.67196333340000         0.55523578047500
            1.88296597630000         0.44160538032000
            0.59449083600000         0.04955632724300
   1 0 0   8 1
           52.72941416350000         0.01298541009600
           33.74284083210000        -0.03816015413100
           21.25902416500000        -0.04158173959300
            9.66972013950000         0.36118752497500
            3.49390238190000        -0.49448107216800
            1.67294423770000        -0.37716427402200
            0.57144541690000         0.62169953401600
            0.25582296670000         0.30481958855700
   1 0 0   7 1
            7.62672985090000        -0.11990363311400
            3.84197331140000         0.17595100258100
            1.33754076380000         0.21481958923900
            0.46387225750000        -0.49359922734400
            0.28514680660000        -0.15818599294400
            0.04938232630000         0.77412658113100
            0.01663950570000         0.20144959251500
   2 1 1   8 1
          329.18466379559999         0.00017401306200
           42.70683210110000        -0.00596243981000
           30.89299150290000         0.04587320464800
           11.36510948350000        -0.38121974739700
            4.89506463520000         0.55849447617900
            2.33152919530000         0.72104678144400
            1.01381665110000         0.14331818157600
            0.50938084240000        -0.01292014696500
   2 1 1   7 1
           35.84485702060000        -0.01019111628400
           10.79988309120000         0.17600487445600
            5.23738354180000        -0.29025775712000
            2.38655209350000        -0.42529314963800
            0.99862013410000         0.18717061455600
            0.46996452170000         0.74257334559400
            0.19017746680000         0.34255887680800
   2 1 1   4 1
            2.70324627120000         0.10804109583300
            0.82682940260000        -0.08528435227400
            0.32417836120000        -0.20215842675200
            0.03232167870000         0.96963171944900
   3 2 2   7 1
           36.31973552210000         0.01563188202200
           15.96536252860000        -0.09215094299300
            7.54710980130000         0.24544524738800
            3.81519284570000         0.74935106449000
            1.69695820100000         0.60045897910900
            0.64296259660000         0.09376436678700
            0.16858304030000        -0.01227674961200
   3 2 2   7 1
           14.77441856970000         0.01841417556600
            8.46373443750000        -0.04453615074400
            4.06727313720000        -0.20255495983900
            2.00167222060000        -0.07630226981900
            0.49582439350000         0.52734915380100
            0.15770752440000         0.77817787843000
            0.04155537820000         0.25916975284300
   4 3 3   7 1
           33.24542261690000         0.05894218938300
           11.56474905560000         0.25754208233500
            4.44332269370000         0.50426234382000
            1.74988186310000         0.57085647907500
            0.65204817050000         0.50153554930800
            0.24131527790000         0.24916160806600
            0.08154970490000         0.19084247138800
#
Pr qvSZP-GTH-q13 q-vSZP-GTH-q13 qvSZP-UZH-q13 q-vSZP-UZH-q13 qvSZP-q13 q-vSZP-q13
  9
   1 0 0   8 1
          278.42664237499997        -0.00081095181100
          131.20601815760000         0.01218254768600
           71.01709490899999        -0.03792020475000
           26.83922615740000         0.21069531096900
           11.23414330840000        -0.67716875965900
            3.71459521550000         0.56555139606200
            1.97804073880000         0.41614532256200
            0.90185420280000         0.04937237852700
   1 0 0   8 1
           54.55200655510000         0.01470131809400
           36.45569837690000        -0.03294122550500
           22.76542302450000        -0.04851071530400
           10.06436018600000         0.36664536311400
            3.92982644110000        -0.50386409990200
            1.60811247270000        -0.35413892807300
            0.59630544470000         0.62247936717600
            0.24940175520000         0.30845204004700
   1 0 0   7 1
            6.81526300440000        -0.16700027583900
            3.61767885710000         0.22315695349500
            1.82597152750000         0.25272603908200
            0.62521111360000        -0.46775237712300
            0.31116095090000        -0.18755345892200
            0.04971513450000         0.75603456383800
            0.01165590970000         0.18134106862700
   2 1 1   8 1
          344.17892579639999         0.00019115127700
           45.91778132750000        -0.00662440538300
           33.62467177530000         0.04525792654800
           11.97181571340000        -0.35168251072600
            4.71144446580000         0.63117478827200
            2.30941630390000         0.67539084683700
            0.97283904040000         0.13948941296600
            0.66695796050000        -0.01534623007600
   2 1 1   7 1
           37.04213879500000        -0.01030063241900
           10.94073272450000         0.18626580771800
            5.57946369190000        -0.31211272596600
            2.46772101720000        -0.41717518108600
            0.99926888980000         0.18282650002900
            0.49943900920000         0.72692582662800
            0.20088404970000         0.36318421481600
   2 1 1   4 1
            3.61326211710000         0.09503506301900
            1.08457840070000        -0.07326748713300
            0.20672848220000        -0.30183150769200
            0.04409682780000         0.94577901916400
   3 2 2   7 1
           44.55332141080000         0.01347051302300
           14.60091655990000        -0.08551564624600
            7.94603865280000         0.27993019078200
            3.91346570420000         0.76838335481600
            1.75300894320000         0.56148346264400
            0.76996870240000         0.09131917585100
            0.19158376370000        -0.01135152658400
   3 2 2   6 1
           11.52863722500000        -0.01583651048100
            4.53242253170000        -0.22820214164700
            1.81278491300000        -0.08265275948300
            0.53387768530000         0.55002842998700
            0.17747792330000         0.74715874003200
            0.05342401700000         0.28295591924100
   4 3 3   7 1
           38.38511868250000         0.05236438204500
           13.79510619250000         0.23976366948300
            5.16050077590000         0.53816356064200
            1.92089671280000         0.61258581429700
            0.69470165220000         0.47555970540600
            0.22496877430000         0.19527390135800
            0.08152357270000         0.10296128617100
#
Nd qvSZP-GTH-q14 q-vSZP-GTH-q14 qvSZP-UZH-q14 q-vSZP-UZH-q14 qvSZP-q14 q-vSZP-q14
  9
   1 0 0   8 1
          262.05214197210000        -0.00092789488000
          133.96206541170000         0.00968728663300
           60.41116058660000        -0.04654608974200
           27.90970506240000         0.23766257248100
           12.09703768940000        -0.67123566766000
            3.74513054840000         0.57626131282200
            2.00259916500000         0.39428239974400
            0.63045441360000         0.05623367067400
   1 0 0   8 1
           57.48962177410000         0.01276607446600
           33.95815403130000        -0.03951221821200
           24.81186468920000        -0.04608272161200
           10.90935365850000         0.37265272380000
            3.91885903910000        -0.48394223962200
            2.06203621350000        -0.36826838587800
            0.57850526280000         0.62944119227000
            0.27924598620000         0.30209970591700
   1 0 0   7 1
            7.63090279150000        -0.12820127486700
            3.81665995700000         0.18569191944300
            1.84625681120000         0.17329404998000
            0.48654471100000        -0.47856106787400
            0.26502004040000        -0.15641471765500
            0.05539449160000         0.78655551481400
            0.02079987520000         0.21655548700000
   2 1 1   8 1
          420.70349892230001         0.00016969144500
           42.50859134090000        -0.00714644358900
           35.35156381090000         0.04535489194200
           12.37539374440000        -0.34023564428300
            5.08234710500000         0.59384399405300
            2.47202124190000         0.71472298369300
            1.03462280200000         0.13569204699800
            0.58358315790000        -0.01547822259500
   2 1 1   7 1
           41.94919546460000        -0.00976131280600
           11.14546758040000         0.19040873451200
            6.47436794650000        -0.27281842594900
            2.77185027200000        -0.43278763451100
            1.06309857390000         0.20072423712400
            0.50253812060000         0.73326551525300
            0.21440374500000         0.35205917860900
   2 1 1   4 1
            2.65969273260000         0.12433474340500
            1.23012820560000        -0.12402162489000
            0.18659178830000        -0.27433563429200
            0.04224265980000         0.94546256821700
   3 2 2   7 1
           49.19257892560000         0.01539485394800
           13.77487097880000        -0.07995986495700
            8.63626187480000         0.27235673754000
            4.20668929070000         0.75727037412100
            1.87860366640000         0.57971814652500
            0.77262119170000         0.09731357615800
            0.18889248490000        -0.01377479390800
   3 2 2   6 1
            9.94850763550000        -0.01892195822000
            4.84900005710000        -0.20653928695400
            2.11383544220000        -0.08221236136100
            0.55011221460000         0.55084188972800
            0.16501678600000         0.73560417220700
            0.05967521950000         0.32509125554800
   4 3 3   7 1
           38.69660725950000         0.06390881185500
           14.02985656470000         0.26486560731800
            5.46816797220000         0.54038134030600
            2.09661463290000         0.62389379481000
            0.77525010740000         0.45502907338300
            0.27503907210000         0.18411528666900
            0.09138636650000         0.05963654302600
#
Pm qvSZP-GTH-q15 q-vSZP-GTH-q15 qvSZP-UZH-q15 q-vSZP-UZH-q15 qvSZP-q15 q-vSZP-q15
  9
   1 0 0   8 1
          326.24417803569997        -0.00077985945500
          152.09681436090000         0.00917810202000
           64.06425303310000        -0.04568170763600
           29.35288150480000         0.23568257596000
           12.82419241590000        -0.65229251002400
            3.67551035090000         0.65047025284800
            1.93117909520000         0.30199702957000
            0.88566410020000         0.04982755158000
   1 0 0   8 1
           50.93796697150000         0.01759986827600
           35.83362931830000        -0.04024468018500
           25.30503892070000        -0.05353463406200
           11.45843870660000         0.37262662212700
            4.11794746670000        -0.49256883133500
            2.06640310710000        -0.35754915112400
            0.60271517990000         0.62947954363300
            0.30037022230000         0.29940626056800
   1 0 0   7 1
            8.37331479500000        -0.12760889318000
            3.97841055490000         0.20360647951200
            1.83641871670000         0.17419520513200
            0.54664301050000        -0.49239450935200
            0.29166814840000        -0.14393528250800
            0.06008094860000         0.78025830974500
            0.01628897930000         0.19985908554700
   2 1 1   8 1
          494.49207754050002         0.00038943733100
           38.68152410700000        -0.00606191279300
           38.31952311760000         0.03902063226400
           12.43774075990000        -0.33813461630500
            5.24327912610000         0.64882093395400
            2.48807088860000         0.66850664758100
            1.05249103680000         0.12641696998100
            0.72396505010000        -0.01595244714700
   2 1 1   7 1
           41.76485336870000        -0.01223761811300
           11.90400820680000         0.18773537614200
            6.56900394380000        -0.28059486584100
            2.94239425980000        -0.44267786507600
            0.99112479940000         0.20237040329400
            0.52047357570000         0.73198249054200
            0.20450429340000         0.33638720500800
   2 1 1   4 1
            3.40681051530000         0.09130004030700
            1.01739932230000        -0.07998342420000
            0.23543231140000        -0.27026636856700
            0.04383891710000         0.95510368259900
   3 2 2   7 1
           51.92580402200000         0.02067415468000
           10.81077234130000        -0.08730617665100
            8.71976536820000         0.31994735294100
            4.33296492490000         0.74310960196800
            1.92821712690000         0.57393176516600
            0.76404144800000         0.08870771001400
            0.22562290660000        -0.01026122673500
   3 2 2   7 1
           11.04105520200000        -0.03354089314000
            8.19520630800000         0.02513834573800
            5.15268059550000        -0.21176585678400
            1.67317432590000        -0.08254658009700
            0.54687651620000         0.50331256732000
            0.19022467250000         0.78017428624100
            0.04634675610000         0.29084170736400
   4 3 3   7 1
           40.99240076530000         0.06814464372000
           14.68483837480000         0.28583404436400
            5.65413006060000         0.55478738893200
            2.21212257910000         0.60649053238400
            0.84010584780000         0.44618088291600
            0.31233768710000         0.18207415680400
            0.08528915690000         0.07620377267500
#
Sm qvSZP-GTH-q16 q-vSZP-GTH-q16 qvSZP-UZH-q16 q-vSZP-UZH-q16 qvSZP-q16 q-vSZP-q16
  9
   1 0 0   8 1
          358.70333625759997        -0.00084933730000
          163.37706015670000         0.01021643113900
           71.36350322750000        -0.03394436494700
           27.82109186390000         0.25454525257800
           13.87451691220000        -0.63917551535900
            3.48280434700000         0.69877387380600
            1.88935719810000         0.18370125094700
            0.79441530910000         0.05807737849000
   1 0 0   8 1
           42.69614185050000         0.01461777089500
           33.78834017390000        -0.02922469870000
           27.79810160700000        -0.05890406453200
           12.27590369210000         0.33984336721100
            4.02889662800000        -0.47773150343300
            2.17661818340000        -0.34635153956200
            0.60806065700000         0.69311643968800
            0.34058581720000         0.22665360665500
   1 0 0   7 1
            9.96936757440000        -0.07346400206400
            3.18450901940000         0.14455739014700
            2.57565562420000         0.11536136259200
            0.41838873640000        -0.51612764593500
            0.52671287920000        -0.10255142002700
            0.07814472120000         0.82259973193200
            0.02189120750000         0.08260204448000
   2 1 1   7 1
          495.46112852850001         0.00022669270900
           43.77700752650000         0.03163038030600
           13.17083557750000        -0.28799087896800
            4.84597810450000         0.78569698309100
            2.28750861410000         0.53748700150000
            1.06993133450000         0.09891676235700
            0.46019083200000        -0.00801057975500
   2 1 1   7 1
           52.11302837000000        -0.01145210290100
           12.72042781690000         0.14511178151300
            5.74832805150000        -0.36084105025700
            2.94088612070000        -0.41974068965500
            1.20026944640000         0.17647425940600
            0.64805366710000         0.73037441443700
            0.32025859160000         0.32837929381400
   2 1 1   4 1
            3.90124941390000         0.29997210590100
            1.06432965400000        -0.45942343678900
            0.25721842160000        -0.20723035991600
            0.14384222980000         0.80993976278500
   3 2 2   6 1
           52.79343465210000         0.02746521997800
            9.34096656710000         0.20915954728900
            4.69058792150000         0.76934175095800
            2.04769836760000         0.59577461806800
            0.81175918170000         0.09245938044900
            0.35302868100000        -0.01072768073100
   3 2 2   6 1
           11.33169521820000        -0.05223142397600
            5.26384122270000        -0.21412328269600
            3.01888487450000        -0.07751989399000
            0.61971130130000         0.54967784485800
            0.21583381570000         0.79517088580200
            0.05668893450000         0.10474394225400
   4 3 3   7 1
           45.50913861400000         0.06631589858100
           16.34956673500000         0.29211156989400
            6.29926332820000         0.57640086076200
            2.46823285500000         0.61579912334400
            0.96197664330000         0.42390389676100
            0.35783517340000         0.13586807993500
            0.05361952820000         0.02592047254800
#
Eu qvSZP-GTH-q17 q-vSZP-GTH-q17 qvSZP-UZH-q17 q-vSZP-UZH-q17 qvSZP-q17 q-vSZP-q17
  9
   1 0 0   8 1
          311.08902970309998        -0.00091669714700
          201.26991345650001         0.01041598946900
           70.86347563840000        -0.04272111526700
           31.31169762660000         0.23917881011300
           13.84299636540000        -0.66713185294500
            4.24893481660000         0.56958976743600
            2.18937850760000         0.40980292228100
            0.56521071480000         0.05850831087900
   1 0 0   8 1
           60.92564074330000         0.01738840400200
           47.67343624040000        -0.03698122953900
           18.47042176140000        -0.03985020452200
           11.23393735280000         0.33919003553200
            5.12380050050000        -0.42080477176000
            2.06426813840000        -0.38624463597700
            0.68021896160000         0.67819769012600
            0.30050135460000         0.30899584368300
   1 0 0   7 1
            9.37514381820000        -0.13669347525400
            4.64525276760000         0.18922654532500
            2.18631171420000         0.20860287767800
            0.61427490700000        -0.50126534984700
            0.33213650300000        -0.11246605331500
            0.05622821210000         0.75820002756100
            0.01575223770000         0.25141639145900
   2 1 1   7 1
          347.57431542059999         0.00339051061300
           53.85187609960000         0.02702368620100
           12.87142675270000        -0.27887504038100
            5.23767044610000         0.74240951339400
            2.40192100070000         0.60247006211400
            0.92001493430000         0.08416113082700
            0.86940881160000        -0.01617959859600
   2 1 1   7 1
           48.03845334680000        -0.01049731129800
           12.39420933360000         0.17838513242100
            8.58847321570000        -0.23645452269500
            3.37523006480000        -0.35530953158900
            1.20486729710000         0.20268033968300
            0.58817432880000         0.75966738949200
            0.25044938320000         0.40955962165900
   2 1 1   4 1
            2.14846604880000         0.08579591973900
            0.87720740680000        -0.08892199795000
            0.21943291340000        -0.30559902060300
            0.05196057820000         0.94410866802700
   3 2 2   6 1
           54.81225547310000         0.03051893571200
           10.63073890770000         0.18361815840200
            5.05065784610000         0.77066111559400
            2.19212684450000         0.60045065610200
            0.92412756620000         0.10409592776500
            0.26509027660000        -0.00758015751600
   3 2 2   6 1
           13.44740166990000        -0.04166167654800
            4.91551465900000        -0.19733876431300
            0.95262275160000        -0.08979083168100
            0.56838942500000         0.59265953959100
            0.17047004550000         0.74273407833000
            0.04193483640000         0.21990925940500
   4 3 3   7 1
           46.26477396510000         0.06766086502500
           16.72407091270000         0.29310840899800
            6.53165813380000         0.54968309216100
            2.58358778940000         0.60513675079700
            0.96673856130000         0.45712348865400
            0.32340774220000         0.17014297784800
            0.05777719110000         0.05706980073300
#
Gd qvSZP-GTH-q18 q-vSZP-GTH-q18 qvSZP-UZH-q18 q-vSZP-UZH-q18 qvSZP-q18 q-vSZP-q18
  9
   1 0 0   8 1
          319.40357547330001        -0.00053916583600
          194.28600532909999         0.00871341762400
           82.08783478719999        -0.02439536260000
           27.61931123770000         0.29888502843100
           15.57052382720000        -0.67961257396000
            4.01151250760000         0.62145706451000
            2.03843781530000         0.24735531152300
            0.90420707770000         0.02701125441400
   1 0 0   8 1
           43.89098052060000         0.01930791814100
           38.30173021940000        -0.04209008808400
           24.66548779050000        -0.06030245918400
           12.94358501730000         0.36788931020000
            4.76408363910000        -0.47343636639000
            2.22076486690000        -0.36564312484500
            0.69181825270000         0.63715415576600
            0.32661001340000         0.30834135574500
   1 0 0   7 1
            9.33544512100000        -0.11548298577200
            4.40822799660000         0.18079056842100
            1.95580222990000         0.19600310840200
            0.64197047070000        -0.45741815758800
            0.39096322990000        -0.13897178579900
            0.05072367090000         0.80673522951000
            0.01675016200000         0.19024976529100
   2 1 1   7 1
          349.36196179439997         0.00384496018600
           59.59704939230000         0.02341351577000
           11.42281785320000        -0.37881420988400
            6.60466928630000         0.64798554250000
            2.81919374190000         0.65151480164000
            1.14467179040000         0.10696822943300
            1.02308238480000        -0.01173949734200
   2 1 1   7 1
           69.28542757810000        -0.00826953269000
           11.93831691910000         0.17464650148900
            8.75568564290000        -0.24156813932200
            3.52333233670000        -0.30971464104800
            1.17329587770000         0.22650062745500
            0.59004609350000         0.78307478420800
            0.23170282600000         0.38812786247900
   2 1 1   4 1
            2.83305206280000         0.07383040008200
            1.08608438530000        -0.08113882449600
            0.19514186530000        -0.21748551697700
            0.03565331560000         0.96987917447900
   3 2 2   7 1
           57.18579101040000         0.03586191033200
           12.71765022720000         0.24884074909600
           11.33119620310000        -0.11550659839800
            5.59949341150000         0.74562972827500
            2.33392736020000         0.59916839228900
            0.93533454210000         0.09145016555000
            0.19866581650000        -0.01099290307400
   3 2 2   6 1
           16.38997021270000        -0.03361253919000
            5.14807537500000        -0.20275919582200
            1.07664267750000        -0.08397832027700
            0.63562835060000         0.56395890181400
            0.17422101480000         0.76293592938600
            0.04574070540000         0.22491258781800
   4 3 3   7 1
           50.24493770900000         0.06716321287000
           18.39218428140000         0.28951673462400
            7.23364737460000         0.55298110364800
            2.87992158480000         0.60601907188400
            1.11108278570000         0.44863508269100
            0.38871704890000         0.18688530040800
            0.08863701350000         0.04921781995600
#
Tb qvSZP-GTH-q19 q-vSZP-GTH-q19 qvSZP-UZH-q19 q-vSZP-UZH-q19 qvSZP-q19 q-vSZP-q19
  9
   1 0 0   8 1
          256.10875602470003        -0.00035482125400
          160.34412405059999         0.01257739973100
           90.70019167820000        -0.02836415307300
           27.78455529800000         0.29650104853700
           15.78055980680000        -0.66104228010000
            3.89400172250000         0.65747708658300
            1.55719436160000         0.20375699125800
            0.34534624430000         0.01882443113700
   1 0 0   8 1
           62.06187854740000         0.01819640492500
           43.39382028060000        -0.03476777451300
           29.47032430630000        -0.05979338656800
           14.00522495490000         0.31341019634100
            4.31589381920000        -0.46431160553700
            2.35957934600000        -0.29942033710400
            0.62135151890000         0.72888236374000
            0.31952857580000         0.24525820470900
   1 0 0   7 1
            8.76548534130000        -0.09924106848700
            3.77878561540000         0.17455220715200
            2.28427168140000         0.12312329199100
            0.53268789580000        -0.45436118086900
            0.33868536030000        -0.10632370519000
            0.05456877430000         0.83476462770900
            0.01371343360000         0.17303928927700
   2 1 1   7 1
          306.16599408439998         0.00559197092000
           53.78193333990000         0.03475840236100
           39.29196156960000        -0.00527230110500
           12.90494654680000        -0.29569577740300
            6.04292588170000         0.73236578498000
            2.52434010030000         0.60956245800500
            0.66711486710000         0.05805824812500
   2 1 1   7 1
           91.97808772560001        -0.01059173576700
           11.81509939790000         0.17642853410600
            7.53774553490000        -0.33156435265200
            3.45833615090000        -0.32394503276900
            1.14927397620000         0.20257347625600
            0.62400927280000         0.75908645595700
            0.24846161760000         0.36964472454200
   2 1 1   4 1
            3.47316332410000         0.08299466075600
            1.09803713620000        -0.08653826202200
            0.22331087240000        -0.30694267815700
            0.05614495340000         0.94414469644100
   3 2 2   7 1
           63.02051435010000         0.04090821950000
           15.44582431290000         0.24117557149200
           13.12943186690000        -0.11630116933300
            6.07361620880000         0.72609983792800
            2.46724460990000         0.62451401400700
            0.90294070560000         0.09658406758800
            0.22067192860000        -0.00822732413100
   3 2 2   7 1
           18.42573762050000        -0.04682712037500
            7.85274788550000         0.01858412264700
            5.64172340480000        -0.22458631984300
            1.44154458160000        -0.06676497340500
            0.69895224060000         0.51317955112900
            0.19123586180000         0.78159076742800
            0.04296416590000         0.26139605012800
   4 3 3   7 1
           50.89236752440000         0.07207505600000
           18.48490320970000         0.31111400069200
            7.13446262260000         0.57537641283500
            2.74574064310000         0.60906976723900
            1.01873312570000         0.41467678144100
            0.35644678970000         0.14637697218500
            0.07831362990000         0.05105111176000
#
Dy qvSZP-GTH-q20 q-vSZP-GTH-q20 qvSZP-UZH-q20 q-vSZP-UZH-q20 qvSZP-q20 q-vSZP-q20
  9
   1 0 0   8 1
          378.62719176109999        -0.00019840902900
          180.12070668929999         0.00970032406200
           89.64564185739999        -0.02589435623500
           29.04587461510000         0.31348555712500
           16.99248149660000        -0.66633278291100
            4.08298982760000         0.64420774407000
            1.64392758290000         0.20419709187700
            0.15448877510000         0.01620816777400
   1 0 0   8 1
           45.33062274170000         0.01929561365300
           35.78446640390000        -0.05081094793600
           30.38377336260000        -0.04830272388100
           14.84640919950000         0.31307153751300
            4.64251993880000        -0.43134007261500
            2.62799245100000        -0.32325304686600
            0.66606079870000         0.73142233389600
            0.29345768240000         0.26678374211200
   1 0 0   7 1
            9.91306138060000        -0.10311810640800
            4.64154891280000         0.16539448114000
            2.41663918060000         0.12270703218200
            0.54859679970000        -0.41410259226200
            0.33655218300000        -0.15622541466400
            0.05828709880000         0.86014792738900
            0.01531316310000         0.10588914909100
   2 1 1   8 1
          312.54192394799998         0.00787779642200
           61.83587962860000         0.03739041008200
           55.72751620030000        -0.00402192090600
           11.75695108340000        -0.35492158247000
            6.97699913140000         0.68165767446100
            2.90693948480000         0.63200410516200
            0.99124575600000         0.08827575519300
            0.66673630500000        -0.02598863132000
   2 1 1   7 1
          112.95610986130001        -0.00703459100900
           11.41873620020000         0.18824430221200
            9.64240533230000        -0.26540282323500
            3.98211489950000        -0.20702253807100
            1.39724885760000         0.21850246263400
            0.67223057870000         0.78496236101600
            0.26464934660000         0.43279137349900
   2 1 1   4 1
            4.04580139750000         0.07061906103100
            0.92226517410000        -0.09838826303700
            0.18734893410000        -0.26790920170300
            0.05095510570000         0.95580194473500
   3 2 2   7 1
           72.87418823870000         0.03969409882500
           19.31721743820000         0.22161012330400
           16.79253945060000        -0.09268427715500
            6.70889656810000         0.69385964554300
            2.71438265150000         0.66680905953400
            0.99925654000000         0.12068576263900
            0.27406631050000        -0.00907599261800
   3 2 2   6 1
           28.77015357290000        -0.03583109537200
            6.69236606660000        -0.21582397146700
            2.50466394550000        -0.04644436629700
            0.65990770840000         0.51013285840200
            0.22462004490000         0.65851344003600
            0.06233594010000         0.50606677707100
   4 3 3   7 1
           57.47116751120000         0.06314435442200
           21.20814249070000         0.28820173253100
            8.38321510020000         0.53736552173700
            3.34033074450000         0.61062755892300
            1.25937037040000         0.46384400213800
            0.43540470880000         0.18315416594800
            0.14355925110000         0.05126524532900
#
Ho qvSZP-GTH-q21 q-vSZP-GTH-q21 qvSZP-UZH-q21 q-vSZP-UZH-q21 qvSZP-q21 q-vSZP-q21
  9
   1 0 0   8 1
          550.83266380320003        -0.00017072031900
          146.90243805259999         0.01404718663300
           96.18384173370001        -0.03257463401800
           32.03510072250000         0.29178097641600
           18.07120769110000        -0.64470370766200
            4.21276469580000         0.68476275938100
            1.73837587300000         0.16968403032800
            0.11632687550000         0.01642634976800
   1 0 0   8 1
           69.63368638970000         0.00613412383000
           37.96223197770000        -0.03799116598800
           28.60056370840000        -0.03995613317500
           15.96597371330000         0.26989275858900
            5.02857052520000        -0.40834016435300
            2.73082502980000        -0.26921074300300
            0.69250933690000         0.79581385393600
            0.29353098980000         0.22703445999600
   1 0 0   7 1
           10.12095798950000        -0.11930662667700
            5.36110148630000         0.16816215140300
            2.82211685510000         0.12745205500600
            0.58638575480000        -0.44886516522200
            0.28353960600000        -0.12402325341700
            0.06326094090000         0.83654221524100
            0.01862685620000         0.15677631046400
   2 1 1   7 1
          322.90418072649999         0.00719713605100
           63.22352975620000         0.03102658706000
           11.32998980660000        -0.50228645349600
            8.80881338580000         0.65583564760000
            3.34107782270000         0.55530666282500
            1.06581280180000         0.08699914787100
            0.64322669150000        -0.02528107179600
   2 1 1   7 1
          130.30332823129999        -0.00535804745800
           11.73105012550000         0.15852007700600
           10.49282172930000        -0.22711754827000
            3.97070059920000        -0.17134125273400
            1.78308506650000         0.25222708039700
            0.68867875430000         0.81023467955600
            0.28919665020000         0.41689775107600
   2 1 1   4 1
            3.74190416410000         0.09282668910300
            1.01830658180000        -0.13750966454000
            0.18263120990000        -0.29375055783500
            0.06261300220000         0.94137394680300
   3 2 2   7 1
           92.07990154940001         0.03432412468500
           26.13570555190000         0.23136032473700
           25.18339676980000        -0.09337064707800
            7.85090998050000         0.60475161810700
            3.29350076960000         0.72502390713200
            1.32351569940000         0.21236034455900
            0.21475665310000        -0.00975066198100
   3 2 2   6 1
           29.92460072120000        -0.03852941939200
            6.63780398660000        -0.19329084154700
            1.41939650550000        -0.06028101297600
            0.68846000640000         0.50028442333400
            0.19042441320000         0.75851373147400
            0.04931142800000         0.36317041292400
   4 3 3   7 1
           62.58696377120000         0.05678189906500
           23.12370995150000         0.27760857973300
            9.12769944040000         0.53160250955100
            3.62430163440000         0.61009199630000
            1.37818387950000         0.46863588483500
            0.47702249590000         0.20646416789600
            0.13105179790000         0.05146625211400
#
Er qvSZP-GTH-q22 q-vSZP-GTH-q22 qvSZP-UZH-q22 q-vSZP-UZH-q22 qvSZP-q22 q-vSZP-q22
  9
   1 0 0   8 1
          340.26501206199998        -0.00034131005000
          174.55341066500000         0.00808045031200
           87.29612066480000        -0.03143380438700
           33.43735460070000         0.31414269501500
           19.27211792000000        -0.65154237123400
            4.38071257180000         0.66952199363200
            1.77653830100000         0.16503532778800
            0.14217449110000         0.01603284296600
   1 0 0   8 1
           51.78365442970000         0.01430192985200
           39.20454366140000        -0.04014169601000
           33.48363365840000        -0.04447283221900
           16.67562061900000         0.27236153144500
            5.32443939480000        -0.40461009872600
            2.64330111990000        -0.30481767836600
            0.75840173410000         0.77671762159600
            0.31841095100000         0.24922289159000
   1 0 0   7 1
           11.70490123160000        -0.09612768097400
            4.84912776340000         0.17795495319000
            2.72687847860000         0.11376663888300
            0.63694202600000        -0.44220547091400
            0.44511893980000        -0.11671184279700
            0.06117961720000         0.84545333824600
            0.01644935220000         0.14896300063000
   2 1 1   8 1
          345.95168489219998         0.00841948787700
           83.37231726150000        -0.00416516847500
           72.56649253170001         0.03916486648200
           11.37769945810000        -0.42908763119300
            7.96620170690000         0.71025133264600
            3.20325777810000         0.54842855333700
            1.11493338750000         0.07702026173700
            0.62316257530000        -0.05566621261600
   2 1 1   7 1
          139.22425613429999        -0.00509741952700
           11.96238662880000         0.14069811084500
           10.50100164310000        -0.22185902614000
            3.88096315820000        -0.12994357285700
            1.80692212910000         0.23758449722800
            0.71846956130000         0.84136561475700
            0.26720765170000         0.38694806795400
   2 1 1   4 1
            2.55409885960000         0.13094970152600
            1.10214631580000        -0.18278135867100
            0.21118505820000        -0.24388206672300
            0.05717941370000         0.94337939776300
   3 2 2   7 1
          104.13930474830001         0.03731354590800
           28.40080781850000         0.30567431744800
           26.62040399860000        -0.14317471252800
            8.90701157440000         0.52707123170900
            3.63477650770000         0.73886192262500
            1.46091365490000         0.24639712503000
            0.17712062960000        -0.01547079227900
   3 2 2   6 1
           39.16346384040000        -0.03625832236700
            8.49478104890000        -0.15686459340700
            3.31648974330000        -0.07092971241300
            0.67188316160000         0.51460787915800
            0.18211917830000         0.75223363563600
            0.04414262480000         0.37198265741500
   4 3 3   7 1
           63.34299965240000         0.05593667907500
           23.50073811720000         0.28011983581300
            9.43214132030000         0.53994485780800
            3.74048862510000         0.61243551372000
            1.45044319700000         0.44549358995700
            0.51963056010000         0.22439609602300
            0.14320446080000         0.05448037238700
#
Tm qvSZP-GTH-q23 q-vSZP-GTH-q23 qvSZP-UZH-q23 q-vSZP-UZH-q23 qvSZP-q23 q-vSZP-q23
  9
   1 0 0   8 1
          312.54607763780001        -0.00043457542300
           67.42399965600001        -0.02502066532100
           47.63972041230000         0.01479139067600
           33.26737216560000         0.29167289072700
           19.18146246100000        -0.67374680110000
            4.87586834520000         0.63634370816200
            2.22786268670000         0.23446664769500
            0.36111817550000         0.01546742503500
   1 0 0   8 1
           38.13982409200000        -0.04583835345700
           26.62391347140000         0.02220368976700
           18.44334414590000        -0.06325426935800
           15.70461625880000         0.29329341538700
            5.91708800700000        -0.36911624646200
            2.83273891170000        -0.31959497900100
            0.77904828160000         0.77597981833900
            0.30672967560000         0.25855614271900
   1 0 0   7 1
           10.99349774410000        -0.10126309797700
            4.38003244750000         0.23143891609400
            1.81490110300000         0.16208358225700
            0.86318189420000        -0.45020848911300
            0.37613046790000        -0.18142073128800
            0.05742036550000         0.80098079144700
            0.01791147630000         0.18094013316700
   2 1 1   8 1
          456.93422583680001         0.00058278772600
           92.13711771990000        -0.00368710164400
           84.60860411290000         0.02227859521000
           10.01054061880000        -0.36020534685900
            7.84381013290000         0.48713801025600
            2.34069960410000         0.40499833925200
            0.57801893140000         0.68427529974900
            0.51089337630000        -0.01349282218800
   2 1 1   7 1
          392.18765170939997        -0.00506577276500
           12.12215196400000        -0.21401317996800
           11.48589051390000         0.22890135939700
            8.85401946680000        -0.11743050150200
            1.81786575600000         0.38267911586900
            0.62406166320000         0.69436423986500
            0.49448895350000         0.50931516608500
   2 1 1   4 1
            3.42481174230000         0.07683540270600
            1.06807240400000        -0.07772233506600
            0.29865939430000        -0.28671659749900
            0.07146622660000         0.95176107939000
   3 2 2   6 1
          114.56732424610000         0.03717775899800
           33.28008456020000         0.17159591465600
           10.04546649570000         0.49397146807500
            4.07905638430000         0.79366626994800
            1.61105743240000         0.30824697863600
            0.16482385190000        -0.01557231982400
   3 2 2   6 1
           34.17016603750000        -0.04319230538700
            7.19424035400000        -0.17951351283800
            0.99936882150000        -0.05648228311300
            0.70832664940000         0.45998608511600
            0.21558724620000         0.72278669598500
            0.05749718600000         0.47823766974700
   4 3 3   7 1
           64.16513691780000         0.06268436134000
           23.80303202580000         0.29776385990700
            9.48856877920000         0.54268146365300
            3.77366759120000         0.60619190219800
            1.41185158850000         0.45479932002000
            0.47683392570000         0.18953372047700
            0.13706811460000         0.05167309363200
#
Yb qvSZP-GTH-q24 q-vSZP-GTH-q24 qvSZP-UZH-q24 q-vSZP-UZH-q24 qvSZP-q24 q-vSZP-q24
  9
   1 0 0   8 1
          251.42951641089999        -0.00052465721000
          158.48810937530001         0.01224227082900
           92.78472408860000        -0.04080370846700
           37.56847424930000         0.29165507189600
           20.57362532670000        -0.61815051582100
            4.46703445870000         0.71457247955200
            1.22775668270000         0.14183860677300
            0.12716492560000         0.01673764732800
   1 0 0   8 1
           58.52589272890000         0.01578026548500
           45.03852478300000        -0.05317496101000
           20.82985180620000        -0.03753148792600
           16.46411632270000         0.28161215681800
            6.00165710540000        -0.38747959131000
            2.95487068660000        -0.26933185813000
            0.73885057960000         0.81353788106300
            0.27217017340000         0.17800398837800
   1 0 0   7 1
           10.89555629180000        -0.14566816809800
            5.69155314740000         0.23844204643000
            2.42359458040000         0.13670884242900
            0.74137499840000        -0.45692421861400
            0.40206832550000        -0.14773657258700
            0.06867231580000         0.78945947182800
            0.01982636410000         0.22222685167100
   2 1 1   7 1
          383.92813413689998         0.00615307503100
           82.48411458200000         0.02480003201700
           10.01066103200000        -0.57859804131500
            8.65635989360000         0.76035340670300
            3.16725672430000         0.28636183023800
            0.82315308800000         0.06108173511600
            0.74539142750000        -0.02645799311700
   2 1 1   7 1
           31.97149536420000        -0.00589471741200
           13.65423251590000         0.15737061206900
           12.55082285520000        -0.22270259363800
            3.64372292550000        -0.07638925769100
            2.38512449090000         0.27474238338400
            0.81200504820000         0.81769368092400
            0.30604106280000         0.41912008518900
   2 1 1   4 1
            3.22044353250000         0.06083291619200
            0.96201254880000        -0.07911314875200
            0.21767734440000        -0.27877056313400
            0.05567192030000         0.95515833197000
   3 2 2   7 1
          113.00644488070000         0.04644534060800
           32.35711954370000         0.20998531817700
            8.16571947610000        -0.07875347731100
            9.61868855460000         0.58164602886000
            3.80466491820000         0.74299364060800
            1.42905416690000         0.23901793518100
            0.30797883210000        -0.00810309116700
   3 2 2   6 1
           36.88446428020000        -0.05367015316900
            7.89187357230000        -0.18474419164600
            1.33136713980000        -0.05848340423400
            0.69376692570000         0.53069784643200
            0.19204210780000         0.67904400454100
            0.05245935560000         0.46564774822800
   4 3 3   7 1
           65.10884196390001         0.06129654868800
           23.98913869110000         0.30775017043200
            9.64422234480000         0.55254166778900
            3.82712857860000         0.59996136177800
            1.43628620690000         0.44325312755900
            0.48179607030000         0.19393422972000
            0.12806185630000         0.04682750153600
#
Lu qvSZP-GTH-q25 q-vSZP-GTH-q25 qvSZP-UZH-q25 q-vSZP-UZH-q25 qvSZP-q25 q-vSZP-q25
  9
   1 0 0   8 1
          195.93439907780001        -0.00049222365400
           72.75686814520000        -0.03605265216700
           52.78233452910000         0.02116901701900
           37.43680736470000         0.31313286533900
           22.18593477780000        -0.65050574674300
            4.90887342450000         0.67569032251100
            1.67976239530000         0.14180699371000
            0.14556759220000         0.01937223286400
   1 0 0   8 1
          111.13409546379999         0.00480864611200
           45.97929824070000        -0.05584800729400
           25.82802104420000        -0.04431090964800
           19.58664188480000         0.29264379133000
            5.41829255830000        -0.50796722279500
            2.29571611310000        -0.22406036270000
            0.91347197870000         0.72176211966600
            0.38511573950000         0.28298361919700
   1 0 0   7 1
           11.91196754030000        -0.11641666050200
            5.74450699520000         0.22274202594200
            1.82619103300000         0.17628739155800
            0.93534641460000        -0.46697698050200
            0.34839364870000        -0.18281932507000
            0.07370072820000         0.79500604133300
            0.01557484210000         0.14910028477700
   2 1 1   8 1
          377.74742860790002         0.01231423290800
           81.67310408930000         0.04775891489600
           16.10339731740000        -0.00406796380200
           12.11251006260000        -0.36737249019600
            8.18816505790000         0.72505798094100
            3.33269692620000         0.57400323924500
            1.02927011300000         0.08292902003900
            0.82717869770000        -0.02285462926800
   2 1 1   6 1
           16.21268651330000        -0.00724962217800
           11.20554730070000        -0.06287283812800
            3.28184009770000        -0.09415359891800
            2.43845518860000         0.31118645948800
            0.85334744640000         0.82028871192500
            0.32746724790000         0.46628206649400
   2 1 1   4 1
            3.22824519820000         0.06299199016100
            1.29626693930000        -0.06966880005100
            0.22607111550000        -0.25602928494700
            0.04997983050000         0.96209525137800
   3 2 2   7 1
          135.05900042430000         0.04152762172600
           39.29379839720000         0.20306481196800
           12.44982205480000         0.50069967635100
           10.74321597060000        -0.07835702379700
            4.71238454240000         0.75831918281500
            1.79120574970000         0.35369338823800
            0.50687205830000        -0.00729066451600
   3 2 2   6 1
           37.71684228260000        -0.05900501765700
            8.36369164190000        -0.15921904899500
            2.04315275490000        -0.05002271651600
            0.69254416760000         0.51468492790500
            0.18717235020000         0.74336210771500
            0.05196592540000         0.38881567864700
   4 3 3   7 1
           70.88244050839999         0.06032906830100
           26.04706872420000         0.29948647261800
           10.41600901700000         0.54828705051200
            4.14979911970000         0.60303076868800
            1.56996131860000         0.45026639729700
            0.52727968990000         0.19800582466400
            0.04639662970000         0.02138512000300
#
Hf qvSZP-GTH-q12 q-vSZP-GTH-q12 qvSZP-UZH-q12 q-vSZP-UZH-q12 qvSZP-q12 q-vSZP-q12
  3
   1 0 0   4 1
            0.65567535200000         0.21071715289300
            0.46559284030000        -0.55345483104800
            0.11194228380000         0.57105533785500
            0.03516645880000         0.56849083772200
   2 1 1   3 1
            0.35604922930000        -0.19767756815300
            0.14376556810000         0.32937593824000
            0.05490540730000         0.92327410358900
   3 2 2   5 1
            6.55515995730000        -0.01483830898400
            0.98888744880000         0.37289063263300
            0.39876526420000         0.64633394349200
            0.16334442200000         0.50249966321500
            0.06243936380000         0.43643891054700
#
Ta qvSZP-GTH-q5 q-vSZP-GTH-q5 qvSZP-UZH-q5 q-vSZP-UZH-q5 qvSZP-q5 q-vSZP-q5
  3
   1 0 0   5 1
            0.66073582200000         0.20368163846700
            0.44029495130000        -0.72991494572600
            0.25777292080000         0.43102024890100
            0.09641947140000         0.31097898445700
            0.03929736320000         0.37848590254000
   2 1 1   3 1
            0.37414850440000        -0.22340185610300
            0.15390673610000         0.40557317065400
            0.06394804930000         0.88634192834100
   3 2 2   5 1
            6.08166686910000        -0.02218406313400
            1.07277260600000         0.39847195773700
            0.43994629630000         0.65392477984600
            0.18009868020000         0.51507781527900
            0.06982970150000         0.38445440919600
#
Ta qvSZP-GTH-q13 q-vSZP-GTH-q13 qvSZP-UZH-q13 q-vSZP-UZH-q13 qvSZP-q13 q-vSZP-q13
  3
   1 0 0   5 1
            0.66073582200000         0.20368163846700
            0.44029495130000        -0.72991494572600
            0.25777292080000         0.43102024890100
            0.09641947140000         0.31097898445700
            0.03929736320000         0.37848590254000
   2 1 1   3 1
            0.37414850440000        -0.22340185610300
            0.15390673610000         0.40557317065400
            0.06394804930000         0.88634192834100
   3 2 2   5 1
            6.08166686910000        -0.02218406313400
            1.07277260600000         0.39847195773700
            0.43994629630000         0.65392477984600
            0.18009868020000         0.51507781527900
            0.06982970150000         0.38445440919600
#
W qvSZP-GTH-q6 q-vSZP-GTH-q6 qvSZP-UZH-q6 q-vSZP-UZH-q6 qvSZP-q6 q-vSZP-q6
  3
   1 0 0   5 1
            1.10033566440000         0.13884481398400
            0.58696604750000        -0.54373542690800
            0.14348234070000         0.57896009572600
            0.06599329440000         0.25089879181800
            0.03808471470000         0.53565745302000
   2 1 1   3 1
            0.45369635530000        -0.19191770247600
            0.14873487780000         0.38860804062200
            0.06405121780000         0.90119442199800
   3 2 2   5 1
            7.41797246760000        -0.01743730706400
            1.10420849860000         0.48556664758200
            0.44705307790000         0.71273972838200
            0.18058802040000         0.44147717911200
            0.08282956170000         0.24702419110000
#
W qvSZP-GTH-q14 q-vSZP-GTH-q14 qvSZP-UZH-q14 q-vSZP-UZH-q14 qvSZP-q14 q-vSZP-q14
  3
   1 0 0   5 1
            1.10033566440000         0.13884481398400
            0.58696604750000        -0.54373542690800
            0.14348234070000         0.57896009572600
            0.06599329440000         0.25089879181800
            0.03808471470000         0.53565745302000
   2 1 1   3 1
            0.45369635530000        -0.19191770247600
            0.14873487780000         0.38860804062200
            0.06405121780000         0.90119442199800
   3 2 2   5 1
            7.41797246760000        -0.01743730706400
            1.10420849860000         0.48556664758200
            0.44705307790000         0.71273972838200
            0.18058802040000         0.44147717911200
            0.08282956170000         0.24702419110000
#
Re qvSZP-GTH-q7 q-vSZP-GTH-q7 qvSZP-UZH-q7 q-vSZP-UZH-q7 qvSZP-q7 q-vSZP-q7
  3
   1 0 0   5 1
            1.02582844750000         0.18683295116800
            0.63703380640000        -0.56599184453800
            0.13887562760000         0.62681878466300
            0.05428069950000         0.18096955608200
            0.04818640540000         0.46807575374000
   2 1 1   3 1
            0.40994598520000        -0.27450066235400
            0.22605275390000         0.29141752669600
            0.08984412260000         0.91636521731300
   3 2 2   5 1
            6.98277309320000        -0.02404191768800
            1.57956595960000         0.03799392861100
            1.12451380530000         0.52578734455000
            0.45102186720000         0.71408360402800
            0.16125058190000         0.46001165458200
#
Re qvSZP-GTH-q15 q-vSZP-GTH-q15 qvSZP-UZH-q15 q-vSZP-UZH-q15 qvSZP-q15 q-vSZP-q15
  3
   1 0 0   5 1
            1.02582844750000         0.18683295116800
            0.63703380640000        -0.56599184453800
            0.13887562760000         0.62681878466300
            0.05428069950000         0.18096955608200
            0.04818640540000         0.46807575374000
   2 1 1   3 1
            0.40994598520000        -0.27450066235400
            0.22605275390000         0.29141752669600
            0.08984412260000         0.91636521731300
   3 2 2   5 1
            6.98277309320000        -0.02404191768800
            1.57956595960000         0.03799392861100
            1.12451380530000         0.52578734455000
            0.45102186720000         0.71408360402800
            0.16125058190000         0.46001165458200
#
Os qvSZP-GTH-q8 q-vSZP-GTH-q8 qvSZP-UZH-q8 q-vSZP-UZH-q8 qvSZP-q8 q-vSZP-q8
  3
   1 0 0   5 1
            1.00310843760000         0.20325607409700
            0.66276656110000        -0.56897652938100
            0.14145988060000         0.66747720809100
            0.05727144150000         0.32812363306900
            0.02495725010000         0.28594009067900
   2 1 1   3 1
            0.50800638200000        -0.30261805219900
            0.14736022710000         0.76679612638300
            0.05681064580000         0.56607951300800
   3 2 2   5 1
            6.82027610380000        -0.03027782885600
            1.29491059390000         0.52923351609400
            0.55316474350000         0.68393140023400
            0.24268760050000         0.43574678886500
            0.10304522810000         0.24770489355300
#
Os qvSZP-GTH-q16 q-vSZP-GTH-q16 qvSZP-UZH-q16 q-vSZP-UZH-q16 qvSZP-q16 q-vSZP-q16
  3
   1 0 0   5 1
            1.00310843760000         0.20325607409700
            0.66276656110000        -0.56897652938100
            0.14145988060000         0.66747720809100
            0.05727144150000         0.32812363306900
            0.02495725010000         0.28594009067900
   2 1 1   3 1
            0.50800638200000        -0.30261805219900
            0.14736022710000         0.76679612638300
            0.05681064580000         0.56607951300800
   3 2 2   5 1
            6.82027610380000        -0.03027782885600
            1.29491059390000         0.52923351609400
            0.55316474350000         0.68393140023400
            0.24268760050000         0.43574678886500
            0.10304522810000         0.24770489355300
#
Ir qvSZP-GTH-q9 q-vSZP-GTH-q9 qvSZP-UZH-q9 q-vSZP-UZH-q9 qvSZP-q9 q-vSZP-q9
  3
   1 0 0   5 1
            1.00198171210000         0.19938182643800
            0.62619772340000        -0.68891194125400
            0.28650751430000         0.43396577484600
            0.08883308890000         0.43010411084500
            0.05725054570000         0.33515874534400
   2 1 1   3 1
            0.34693298850000        -0.59828385128200
            0.28854725220000         0.65378293845900
            0.07939564980000         0.46327562279500
   3 2 2   5 1
            8.41512618910000        -0.02225571693600
            1.32555232940000         0.59704194107900
            0.56612136400000         0.66529993041500
            0.26528603750000         0.39228233703200
            0.11596919580000         0.21572244736900
#
Ir qvSZP-GTH-q17 q-vSZP-GTH-q17 qvSZP-UZH-q17 q-vSZP-UZH-q17 qvSZP-q17 q-vSZP-q17
  3
   1 0 0   5 1
            1.00198171210000         0.19938182643800
            0.62619772340000        -0.68891194125400
            0.28650751430000         0.43396577484600
            0.08883308890000         0.43010411084500
            0.05725054570000         0.33515874534400
   2 1 1   3 1
            0.34693298850000        -0.59828385128200
            0.28854725220000         0.65378293845900
            0.07939564980000         0.46327562279500
   3 2 2   5 1
            8.41512618910000        -0.02225571693600
            1.32555232940000         0.59704194107900
            0.56612136400000         0.66529993041500
            0.26528603750000         0.39228233703200
            0.11596919580000         0.21572244736900
#
Pt qvSZP-GTH-q10 q-vSZP-GTH-q10 qvSZP-UZH-q10 q-vSZP-UZH-q10 qvSZP-q10 q-vSZP-q10
  3
   1 0 0   5 1
            1.31918976030000         0.13398828285700
            0.74888584010000        -0.48391387140300
            0.12534790120000         0.75794651940200
            0.09047059290000         0.10488464449300
            0.03577469810000         0.40297740655800
   2 1 1   3 1
            0.50729035410000        -0.25417775134500
            0.15738793970000         0.64047796027600
            0.05284649110000         0.72469417903200
   3 2 2   5 1
            8.48527962120000        -0.02605393065800
            1.42339985090000         0.59041303768800
            0.61253013780000         0.66559623694100
            0.26103403570000         0.42252525985100
            0.10142314240000         0.17084405691600
#
Pt qvSZP-GTH-q18 q-vSZP-GTH-q18 qvSZP-UZH-q18 q-vSZP-UZH-q18 qvSZP-q18 q-vSZP-q18
  3
   1 0 0   5 1
            1.31918976030000         0.13398828285700
            0.74888584010000        -0.48391387140300
            0.12534790120000         0.75794651940200
            0.09047059290000         0.10488464449300
            0.03577469810000         0.40297740655800
   2 1 1   3 1
            0.50729035410000        -0.25417775134500
            0.15738793970000         0.64047796027600
            0.05284649110000         0.72469417903200
   3 2 2   5 1
            8.48527962120000        -0.02605393065800
            1.42339985090000         0.59041303768800
            0.61253013780000         0.66559623694100
            0.26103403570000         0.42252525985100
            0.10142314240000         0.17084405691600
#
Au qvSZP-GTH-q1 q-vSZP-GTH-q1 qvSZP-UZH-q1 q-vSZP-UZH-q1 qvSZP-q1 q-vSZP-q1
  3
   1 0 0   5 1
            1.29213260630000         0.12214447686000
            0.74241251970000        -0.48859399367400
            0.14927265290000         0.73452652749300
            0.05565194350000         0.06022203557400
            0.04703711440000         0.45077790868500
   2 1 1   3 1
            0.50234367060000        -0.31297941678900
            0.18026899590000         0.69764033544100
            0.05596851990000         0.64447020647400
   3 2 2   5 1
            8.88967983550000        -0.02721422287000
            1.49536070530000         0.63517371077100
            0.66157430750000         0.63484548660800
            0.30545060880000         0.39888859657600
            0.13321945530000         0.18350160455800
#
Au qvSZP-GTH-q11 q-vSZP-GTH-q11 qvSZP-UZH-q11 q-vSZP-UZH-q11 qvSZP-q11 q-vSZP-q11
  3
   1 0 0   5 1
            1.29213260630000         0.12214447686000
            0.74241251970000        -0.48859399367400
            0.14927265290000         0.73452652749300
            0.05565194350000         0.06022203557400
            0.04703711440000         0.45077790868500
   2 1 1   3 1
            0.50234367060000        -0.31297941678900
            0.18026899590000         0.69764033544100
            0.05596851990000         0.64447020647400
   3 2 2   5 1
            8.88967983550000        -0.02721422287000
            1.49536070530000         0.63517371077100
            0.66157430750000         0.63484548660800
            0.30545060880000         0.39888859657600
            0.13321945530000         0.18350160455800
#
Au qvSZP-GTH-q19 q-vSZP-GTH-q19 qvSZP-UZH-q19 q-vSZP-UZH-q19 qvSZP-q19 q-vSZP-q19
  3
   1 0 0   5 1
            1.29213260630000         0.12214447686000
            0.74241251970000        -0.48859399367400
            0.14927265290000         0.73452652749300
            0.05565194350000         0.06022203557400
            0.04703711440000         0.45077790868500
   2 1 1   3 1
            0.50234367060000        -0.31297941678900
            0.18026899590000         0.69764033544100
            0.05596851990000         0.64447020647400
   3 2 2   5 1
            8.88967983550000        -0.02721422287000
            1.49536070530000         0.63517371077100
            0.66157430750000         0.63484548660800
            0.30545060880000         0.39888859657600
            0.13321945530000         0.18350160455800
#
Hg qvSZP-GTH-q2 q-vSZP-GTH-q2 qvSZP-UZH-q2 q-vSZP-UZH-q2 qvSZP-q2 q-vSZP-q2
  3
   1 0 0   5 1
            1.37783418350000         0.28504560230100
            0.90513280290000        -0.60771640745000
            0.32101682630000         0.04301998386700
            0.13495193700000         0.63598384423700
            0.05558441650000         0.37829036940200
   2 1 1   3 1
            0.59046414380000        -0.16231820643600
            0.15027095640000         0.64289954300500
            0.03490471570000         0.74855392421800
   3 2 2   2 1
            0.06680707480000         0.43590902773800
            0.03680789140000         0.89999073302800
#
Hg qvSZP-GTH-q12 q-vSZP-GTH-q12 qvSZP-UZH-q12 q-vSZP-UZH-q12 qvSZP-q12 q-vSZP-q12
  3
   1 0 0   5 1
            1.37783418350000         0.28504560230100
            0.90513280290000        -0.60771640745000
            0.32101682630000         0.04301998386700
            0.13495193700000         0.63598384423700
            0.05558441650000         0.37829036940200
   2 1 1   3 1
            0.59046414380000        -0.16231820643600
            0.15027095640000         0.64289954300500
            0.03490471570000         0.74855392421800
   3 2 2   2 1
            0.06680707480000         0.43590902773800
            0.03680789140000         0.89999073302800
#
Hg qvSZP-GTH-q20 q-vSZP-GTH-q20 qvSZP-UZH-q20 q-vSZP-UZH-q20 qvSZP-q20 q-vSZP-q20
  3
   1 0 0   5 1
            1.37783418350000         0.28504560230100
            0.90513280290000        -0.60771640745000
            0.32101682630000         0.04301998386700
            0.13495193700000         0.63598384423700
            0.05558441650000         0.37829036940200
   2 1 1   3 1
            0.59046414380000        -0.16231820643600
            0.15027095640000         0.64289954300500
            0.03490471570000         0.74855392421800
   3 2 2   2 1
            0.06680707480000         0.43590902773800
            0.03680789140000         0.89999073302800
#
Tl qvSZP-GTH-q3 q-vSZP-GTH-q3 qvSZP-UZH-q3 q-vSZP-UZH-q3 qvSZP-q3 q-vSZP-q3
  3
   1 0 0   5 1
            1.39228012210000         0.36650916089000
            0.97754078060000        -0.67802486170500
            0.28135732080000         0.03895990854500
            0.16567881950000         0.58698103471300
            0.05766821090000         0.24472170379300
   2 1 1   4 1
            1.17360864470000         0.50107275923500
            1.07623380320000        -0.60591134817000
            0.17551684260000         0.39039015578200
            0.05922677390000         0.47894994976600
   3 2 2   2 1
            0.71738799340000         0.00475545710600
            0.10220050900000         0.99998869275000
#
Tl qvSZP-GTH-q13 q-vSZP-GTH-q13 qvSZP-UZH-q13 q-vSZP-UZH-q13 qvSZP-q13 q-vSZP-q13
  3
   1 0 0   5 1
            1.39228012210000         0.36650916089000
            0.97754078060000        -0.67802486170500
            0.28135732080000         0.03895990854500
            0.16567881950000         0.58698103471300
            0.05766821090000         0.24472170379300
   2 1 1   4 1
            1.17360864470000         0.50107275923500
            1.07623380320000        -0.60591134817000
            0.17551684260000         0.39039015578200
            0.05922677390000         0.47894994976600
   3 2 2   2 1
            0.71738799340000         0.00475545710600
            0.10220050900000         0.99998869275000
#
Tl qvSZP-GTH-q21 q-vSZP-GTH-q21 qvSZP-UZH-q21 q-vSZP-UZH-q21 qvSZP-q21 q-vSZP-q21
  3
   1 0 0   5 1
            1.39228012210000         0.36650916089000
            0.97754078060000        -0.67802486170500
            0.28135732080000         0.03895990854500
            0.16567881950000         0.58698103471300
            0.05766821090000         0.24472170379300
   2 1 1   4 1
            1.17360864470000         0.50107275923500
            1.07623380320000        -0.60591134817000
            0.17551684260000         0.39039015578200
            0.05922677390000         0.47894994976600
   3 2 2   2 1
            0.71738799340000         0.00475545710600
            0.10220050900000         0.99998869275000
#
Pb qvSZP-GTH-q4 q-vSZP-GTH-q4 qvSZP-UZH-q4 q-vSZP-UZH-q4 qvSZP-q4 q-vSZP-q4
  3
   1 0 0   5 1
            1.42976809620000         0.30857989508700
            1.03782141880000        -0.64583788476900
            0.52020362420000         0.06827777957300
            0.18625146920000         0.65297586321400
            0.06270563120000         0.23797592698100
   2 1 1   5 1
            1.27489708170000         0.35878529708400
            1.01166746420000        -0.58006369709300
            0.22091876660000         0.54513575981700
            0.07625823120000         0.43759989866900
            0.05892151020000         0.21478489230800
   3 2 2   2 1
            0.20137193950000         0.04131775356800
            0.08429800220000         0.99914605701100
#
Pb qvSZP-GTH-q14 q-vSZP-GTH-q14 qvSZP-UZH-q14 q-vSZP-UZH-q14 qvSZP-q14 q-vSZP-q14
  3
   1 0 0   5 1
            1.42976809620000         0.30857989508700
            1.03782141880000        -0.64583788476900
            0.52020362420000         0.06827777957300
            0.18625146920000         0.65297586321400
            0.06270563120000         0.23797592698100
   2 1 1   5 1
            1.27489708170000         0.35878529708400
            1.01166746420000        -0.58006369709300
            0.22091876660000         0.54513575981700
            0.07625823120000         0.43759989866900
            0.05892151020000         0.21478489230800
   3 2 2   2 1
            0.20137193950000         0.04131775356800
            0.08429800220000         0.99914605701100
#
Pb qvSZP-GTH-q22 q-vSZP-GTH-q22 qvSZP-UZH-q22 q-vSZP-UZH-q22 qvSZP-q22 q-vSZP-q22
  3
   1 0 0   5 1
            1.42976809620000         0.30857989508700
            1.03782141880000        -0.64583788476900
            0.52020362420000         0.06827777957300
            0.18625146920000         0.65297586321400
            0.06270563120000         0.23797592698100
   2 1 1   5 1
            1.27489708170000         0.35878529708400
            1.01166746420000        -0.58006369709300
            0.22091876660000         0.54513575981700
            0.07625823120000         0.43759989866900
            0.05892151020000         0.21478489230800
   3 2 2   2 1
            0.20137193950000         0.04131775356800
            0.08429800220000         0.99914605701100
#
Bi qvSZP-GTH-q5 q-vSZP-GTH-q5 qvSZP-UZH-q5 q-vSZP-UZH-q5 qvSZP-q5 q-vSZP-q5
  3
   1 0 0   6 1
            1.56142573410000         0.08238774674500
            1.00781416170000        -0.47960661199000
            0.40215032810000         0.15251403607500
            0.18766987990000         0.82066004764200
            0.17106073820000         0.11009062993500
            0.05522238950000         0.23308016888100
   2 1 1   5 1
            1.36845752530000         0.48168567818500
            1.19026877850000        -0.65405033622100
            0.28823325190000         0.29618890828200
            0.14667452270000         0.33163651159900
            0.06164429840000         0.37747373406100
   3 2 2   2 1
            0.12434624900000         0.13461021656700
            0.11224977760000         0.99089862730500
#
Bi qvSZP-GTH-q15 q-vSZP-GTH-q15 qvSZP-UZH-q15 q-vSZP-UZH-q15 qvSZP-q15 q-vSZP-q15
  3
   1 0 0   6 1
            1.56142573410000         0.08238774674500
            1.00781416170000        -0.47960661199000
            0.40215032810000         0.15251403607500
            0.18766987990000         0.82066004764200
            0.17106073820000         0.11009062993500
            0.05522238950000         0.23308016888100
   2 1 1   5 1
            1.36845752530000         0.48168567818500
            1.19026877850000        -0.65405033622100
            0.28823325190000         0.29618890828200
            0.14667452270000         0.33163651159900
            0.06164429840000         0.37747373406100
   3 2 2   2 1
            0.12434624900000         0.13461021656700
            0.11224977760000         0.99089862730500
#
Bi qvSZP-GTH-q23 q-vSZP-GTH-q23 qvSZP-UZH-q23 q-vSZP-UZH-q23 qvSZP-q23 q-vSZP-q23
  3
   1 0 0   6 1
            1.56142573410000         0.08238774674500
            1.00781416170000        -0.47960661199000
            0.40215032810000         0.15251403607500
            0.18766987990000         0.82066004764200
            0.17106073820000         0.11009062993500
            0.05522238950000         0.23308016888100
   2 1 1   5 1
            1.36845752530000         0.48168567818500
            1.19026877850000        -0.65405033622100
            0.28823325190000         0.29618890828200
            0.14667452270000         0.33163651159900
            0.06164429840000         0.37747373406100
   3 2 2   2 1
            0.12434624900000         0.13461021656700
            0.11224977760000         0.99089862730500
#
Po qvSZP-GTH-q6 q-vSZP-GTH-q6 qvSZP-UZH-q6 q-vSZP-UZH-q6 qvSZP-q6 q-vSZP-q6
  3
   1 0 0   6 1
            1.79912704660000         0.40107282727400
            1.35498824540000        -0.72958202082500
            0.69429603540000         0.07345398084700
            0.25326947000000         0.51505618097300
            0.14654033610000         0.15275586308200
            0.07280716730000         0.11330468456800
   2 1 1   5 1
            1.65911854480000         0.22967791606200
            1.24160406240000        -0.44698642959200
            0.25134933270000         0.70533580313000
            0.14325537550000         0.24956389200300
            0.07617384360000         0.43320948196600
   3 2 2   2 1
            0.15970433440000         0.81247650823800
            0.04251270670000         0.58299393098100
#
Po qvSZP-GTH-q16 q-vSZP-GTH-q16 qvSZP-UZH-q16 q-vSZP-UZH-q16 qvSZP-q16 q-vSZP-q16
  3
   1 0 0   6 1
            1.79912704660000         0.40107282727400
            1.35498824540000        -0.72958202082500
            0.69429603540000         0.07345398084700
            0.25326947000000         0.51505618097300
            0.14654033610000         0.15275586308200
            0.07280716730000         0.11330468456800
   2 1 1   5 1
            1.65911854480000         0.22967791606200
            1.24160406240000        -0.44698642959200
            0.25134933270000         0.70533580313000
            0.14325537550000         0.24956389200300
            0.07617384360000         0.43320948196600
   3 2 2   2 1
            0.15970433440000         0.81247650823800
            0.04251270670000         0.58299393098100
#
Po qvSZP-GTH-q24 q-vSZP-GTH-q24 qvSZP-UZH-q24 q-vSZP-UZH-q24 qvSZP-q24 q-vSZP-q24
  3
   1 0 0   6 1
            1.79912704660000         0.40107282727400
            1.35498824540000        -0.72958202082500
            0.69429603540000         0.07345398084700
            0.25326947000000         0.51505618097300
            0.14654033610000         0.15275586308200
            0.07280716730000         0.11330468456800
   2 1 1   5 1
            1.65911854480000         0.22967791606200
            1.24160406240000        -0.44698642959200
            0.25134933270000         0.70533580313000
            0.14325537550000         0.24956389200300
            0.07617384360000         0.43320948196600
   3 2 2   2 1
            0.15970433440000         0.81247650823800
            0.04251270670000         0.58299393098100
#
At qvSZP-GTH-q7 q-vSZP-GTH-q7 qvSZP-UZH-q7 q-vSZP-UZH-q7 qvSZP-q7 q-vSZP-q7
  3
   1 0 0   6 1
            1.94779039970000         0.33421279699200
            1.30245711930000        -0.75425852499800
            0.55951783310000         0.06319223853600
            0.38710545250000         0.29987446716000
            0.23081056470000         0.42751267001700
            0.10602202780000         0.20666602455100
   2 1 1   5 1
            1.92586205840000         0.10874126703700
            1.22353578170000        -0.33206586622300
            0.33079978930000         0.60448667004400
            0.14594411390000         0.65566704975000
            0.06620879390000         0.28740943433400
   3 2 2   2 1
            0.17868598020000         0.37366956884700
            0.16953302340000         0.92756188651600
#
At qvSZP-GTH-q17 q-vSZP-GTH-q17 qvSZP-UZH-q17 q-vSZP-UZH-q17 qvSZP-q17 q-vSZP-q17
  3
   1 0 0   6 1
            1.94779039970000         0.33421279699200
            1.30245711930000        -0.75425852499800
            0.55951783310000         0.06319223853600
            0.38710545250000         0.29987446716000
            0.23081056470000         0.42751267001700
            0.10602202780000         0.20666602455100
   2 1 1   5 1
            1.92586205840000         0.10874126703700
            1.22353578170000        -0.33206586622300
            0.33079978930000         0.60448667004400
            0.14594411390000         0.65566704975000
            0.06620879390000         0.28740943433400
   3 2 2   2 1
            0.17868598020000         0.37366956884700
            0.16953302340000         0.92756188651600
#
At qvSZP-GTH-q25 q-vSZP-GTH-q25 qvSZP-UZH-q25 q-vSZP-UZH-q25 qvSZP-q25 q-vSZP-q25
  3
   1 0 0   6 1
            1.94779039970000         0.33421279699200
            1.30245711930000        -0.75425852499800
            0.55951783310000         0.06319223853600
            0.38710545250000         0.29987446716000
            0.23081056470000         0.42751267001700
            0.10602202780000         0.20666602455100
   2 1 1   5 1
            1.92586205840000         0.10874126703700
            1.22353578170000        -0.33206586622300
            0.33079978930000         0.60448667004400
            0.14594411390000         0.65566704975000
            0.06620879390000         0.28740943433400
   3 2 2   2 1
            0.17868598020000         0.37366956884700
            0.16953302340000         0.92756188651600
#
Rn qvSZP-GTH-q8 q-vSZP-GTH-q8 qvSZP-UZH-q8 q-vSZP-UZH-q8 qvSZP-q8 q-vSZP-q8
  3
   1 0 0   6 1
            2.03736572450000         0.37897428245600
            1.49784992610000        -0.71591085044200
            0.35026762340000         0.52762673785000
            0.20678873590000         0.05713605401100
            0.15467602790000         0.24366218278000
            0.04692411260000         0.05314494309800
   2 1 1   5 1
            1.64982231620000         0.30926647646000
            1.38553079290000        -0.49114996424000
            0.38795748310000         0.47807350525100
            0.16036787510000         0.63419940994400
            0.05236551240000         0.17989661244400
   3 2 2   2 1
            0.18246946560000         0.43027309987900
            0.04555652620000         0.90269876455000
#
Rn qvSZP-GTH-q18 q-vSZP-GTH-q18 qvSZP-UZH-q18 q-vSZP-UZH-q18 qvSZP-q18 q-vSZP-q18
  3
   1 0 0   6 1
            2.03736572450000         0.37897428245600
            1.49784992610000        -0.71591085044200
            0.35026762340000         0.52762673785000
            0.20678873590000         0.05713605401100
            0.15467602790000         0.24366218278000
            0.04692411260000         0.05314494309800
   2 1 1   5 1
            1.64982231620000         0.30926647646000
            1.38553079290000        -0.49114996424000
            0.38795748310000         0.47807350525100
            0.16036787510000         0.63419940994400
            0.05236551240000         0.17989661244400
   3 2 2   2 1
            0.18246946560000         0.43027309987900
            0.04555652620000         0.90269876455000
#
Rn qvSZP-GTH-q26 q-vSZP-GTH-q26 qvSZP-UZH-q26 q-vSZP-UZH-q26 qvSZP-q26 q-vSZP-q26
  3
   1 0 0   6 1
            2.03736572450000         0.37897428245600
            1.49784992610000        -0.71591085044200
            0.35026762340000         0.52762673785000
            0.20678873590000         0.05713605401100
            0.15467602790000         0.24366218278000
            0.04692411260000         0.05314494309800
   2 1 1   5 1
            1.64982231620000         0.30926647646000
            1.38553079290000        -0.49114996424000
            0.38795748310000         0.47807350525100
            0.16036787510000         0.63419940994400
            0.05236551240000         0.17989661244400
   3 2 2   2 1
            0.18246946560000         0.43027309987900
            0.04555652620000         0.90269876455000
#

# ---- qavg-vSZPs orbital basis for UZH GTH potentials ----
H qavg-vSZPs-GTH-q1 qavg-vSZPs-UZH-q1 qavg-vSZPs-q1
  2
   1 0 0   5 1
           30.187053361600         0.016618212413
            4.484183719900         0.121352098765
            1.017149897800         0.475908543794
            0.292506396100         0.709538332236
            0.085516569400         0.170506892730
   2 1 1   1 1
            0.823105341300         1.000000000000
#
He qavg-vSZPs-GTH-q2 qavg-vSZPs-UZH-q2 qavg-vSZPs-q2
  2
   1 0 0   5 1
           37.407790255038         0.033110619960
            5.631097491157         0.215516340403
            0.289260610029         0.665176782183
            0.239054773278        -0.306328287051
            1.179398668787         0.659944286206
   2 1 1   1 1
            0.253319815897         1.000000000000
#
Li qavg-vSZPs-GTH-q1 qavg-vSZPs-UZH-q1 qavg-vSZPs-q1
  3
   1 0 0   4 1
            0.483611559638        -0.434376571048
            0.227878842244         0.260888085591
            0.071909811428         0.489770677152
            0.029835851905         0.188676802947
   2 1 1   3 1
            0.978983037236         0.099510763821
            0.220024498072         0.428224379348
            0.067994873031         0.368944543107
   3 2 2   1 1
            0.246162948264         1.000000000000
#
Li qavg-vSZPs-GTH-q3 qavg-vSZPs-UZH-q3 qavg-vSZPs-q3
  3
   1 0 0   4 1
            0.483611559638        -0.434376571048
            0.227878842244         0.260888085591
            0.071909811428         0.489770677152
            0.029835851905         0.188676802947
   2 1 1   3 1
            0.978983037236         0.099510763821
            0.220024498072         0.428224379348
            0.067994873031         0.368944543107
   3 2 2   1 1
            0.246162948264         1.000000000000
#
Be qavg-vSZPs-GTH-q2 qavg-vSZPs-UZH-q2 qavg-vSZPs-q2
  3
   1 0 0   4 1
            1.172032660604        -0.229566849286
            0.255332962614         0.066787055789
            0.177694935493         0.735021757782
            0.051546187104         0.254776791525
   2 1 1   3 1
            1.552587194553         0.130911947065
            0.329500548743         0.542497708017
            0.073120836552         0.392390084367
   3 2 2   1 1
            0.390907294536         1.000000000000
#
Be qavg-vSZPs-GTH-q4 qavg-vSZPs-UZH-q4 qavg-vSZPs-q4
  3
   1 0 0   4 1
            1.172032660604        -0.229566849286
            0.255332962614         0.066787055789
            0.177694935493         0.735021757782
            0.051546187104         0.254776791525
   2 1 1   3 1
            1.552587194553         0.130911947065
            0.329500548743         0.542497708017
            0.073120836552         0.392390084367
   3 2 2   1 1
            0.390907294536         1.000000000000
#
B qavg-vSZPs-GTH-q3 qavg-vSZPs-UZH-q3 qavg-vSZPs-q3
  3
   1 0 0   4 1
            1.715099367014        -0.312763334649
            0.766796449122         0.263529149504
            0.246707611058         0.683981463109
            0.080269072920         0.230557639192
   2 1 1   4 1
            4.135454669549         0.070403296948
            0.970175868232         0.328257302845
            0.308952269967         0.604613431562
            0.089297443522         0.291350057783
   3 2 2   2 1
            0.687554463904         0.464899445250
            0.169792301118         0.542947170849
#
C qavg-vSZPs-GTH-q4 qavg-vSZPs-UZH-q4 qavg-vSZPs-q4
  3
   1 0 0   4 1
            2.403206542776        -0.359599586878
            1.451767650042         0.268633103222
            0.434623171244         0.627756938702
            0.134517401913         0.234643636804
   2 1 1   4 1
            8.462534133062         0.048398898829
            2.132581579158         0.236010828524
            0.618900759007         0.596903677911
            0.167848897340         0.428245781218
   3 2 2   2 1
            0.963959802139         0.305259546795
            0.207015493337         0.550984691375
#
N qavg-vSZPs-GTH-q5 qavg-vSZPs-UZH-q5 qavg-vSZPs-q5
  3
   1 0 0   4 1
            3.036701909330        -0.325450565610
            1.611319265311         0.366411695077
            0.448944993017         0.775536942079
            0.124787911835         0.297600912970
   2 1 1   4 1
           10.426266046172         0.075892522196
            2.498287089584         0.355103540045
            0.698441816282         0.730708696769
            0.181817288202         0.493218698235
   3 2 2   2 1
            1.066489622903         0.539808096717
            0.250302346566         0.924648158926
#
O qavg-vSZPs-GTH-q6 qavg-vSZPs-UZH-q6 qavg-vSZPs-q6
  3
   1 0 0   4 1
            3.783484208387        -0.378118731238
            2.314027135016         0.421647212346
            0.588051720335         0.755984669484
            0.172832013967         0.304732279189
   2 1 1   4 1
           14.854333576852         0.076406684753
            3.471959831154         0.358025777883
            0.952154875635         0.723258987263
            0.249969112883         0.586313648669
   3 2 2   2 1
            1.323359208622         0.574080942091
            0.384961893208         0.843992418085
#
F qavg-vSZPs-GTH-q7 qavg-vSZPs-UZH-q7 qavg-vSZPs-q7
  3
   1 0 0   4 1
            7.942404151268        -0.229371128170
            1.713247106887         0.445998401243
            0.624952108630         0.793622947324
            0.213807643975         0.291008357189
   2 1 1   4 1
           22.566282098626         0.071505671394
            5.054842237285         0.329776692628
            1.379148051764         0.691480137727
            0.348755620100         0.665950099886
   3 2 2   2 1
            2.289952511822         0.243132584289
            0.602348594220         0.993227570420
#
Ne qavg-vSZPs-GTH-q8 qavg-vSZPs-UZH-q8 qavg-vSZPs-q8
  3
   1 0 0   4 1
           10.241583038600        -0.198658985718
            1.970388699600         0.517953414940
            0.730279602800         0.791027208111
            0.277741250100         0.231301788412
   2 1 1   4 1
           27.554979528000         0.068696927218
            6.592690336500         0.320411741145
            1.831565914000         0.670283020629
            0.485163698600         0.627658056982
   3 2 2   2 1
            1.966716635800         0.205256241615
            0.428524556600         0.972862377125
#
Na qavg-vSZPs-GTH-q1 qavg-vSZPs-UZH-q1 qavg-vSZPs-q1
  3
   1 0 0   4 1
            1.986844676819         0.022936699220
            0.560025957187        -0.255507100080
            0.070961611538         0.417677645121
            0.027035144173         0.158892288575
   2 1 1   3 1
            0.526106098318        -0.060114768132
            0.100429592618         0.313767269246
            0.026232376684         0.177682865311
   3 2 2   1 1
            0.268732320325         1.000000000000
#
Na qavg-vSZPs-GTH-q9 qavg-vSZPs-UZH-q9 qavg-vSZPs-q9
  3
   1 0 0   4 1
            1.986844676819         0.022936699220
            0.560025957187        -0.255507100080
            0.070961611538         0.417677645121
            0.027035144173         0.158892288575
   2 1 1   3 1
            0.526106098318        -0.060114768132
            0.100429592618         0.313767269246
            0.026232376684         0.177682865311
   3 2 2   1 1
            0.268732320325         1.000000000000
#
Mg qavg-vSZPs-GTH-q2 qavg-vSZPs-UZH-q2 qavg-vSZPs-q2
  3
   1 0 0   4 1
            1.878847009878         0.041497469657
            0.784406491387        -0.295667342606
            0.128176844568         0.585455298549
            0.046777547103         0.238667245934
   2 1 1   3 1
            0.810406441670        -0.098604849350
            0.167879417497         0.704758522738
            0.049826409758         0.275061781203
   3 2 2   1 1
            0.271010511279         1.000000000000
#
Mg qavg-vSZPs-GTH-q10 qavg-vSZPs-UZH-q10 qavg-vSZPs-q10
  3
   1 0 0   4 1
            1.878847009878         0.041497469657
            0.784406491387        -0.295667342606
            0.128176844568         0.585455298549
            0.046777547103         0.238667245934
   2 1 1   3 1
            0.810406441670        -0.098604849350
            0.167879417497         0.704758522738
            0.049826409758         0.275061781203
   3 2 2   1 1
            0.271010511279         1.000000000000
#
Al qavg-vSZPs-GTH-q3 qavg-vSZPs-UZH-q3 qavg-vSZPs-q3
  3
   1 0 0   4 1
            3.242743303052         0.042896027150
            1.090147782621        -0.321717766683
            0.183755272111         0.694937944131
            0.064142515301         0.276189683549
   2 1 1   4 1
            1.002827336234        -0.107684237900
            0.345608230139         0.358918931097
            0.137869651188         0.585424232984
            0.052382401107         0.180569866992
   3 2 2   2 1
            0.557696403989         0.284848431153
            0.156013643855         0.500645104166
#
Si qavg-vSZPs-GTH-q4 qavg-vSZPs-UZH-q4 qavg-vSZPs-q4
  3
   1 0 0   4 1
            4.001570598891         0.041292900475
            1.385458417579        -0.296392880293
            0.256201351882         0.610540799648
            0.080927498031         0.303382003008
   2 1 1   4 1
            1.200160477116        -0.115276751418
            0.501686296022         0.360915629827
            0.192203641833         0.654848240228
            0.070677584116         0.220513558349
   3 2 2   2 1
            1.085105446120         0.283635933231
            0.293043618271         0.772931006994
#
P qavg-vSZPs-GTH-q5 qavg-vSZPs-UZH-q5 qavg-vSZPs-q5
  3
   1 0 0   4 1
            6.745517098698         0.030997601382
            1.614363894553        -0.281563964818
            0.306870515443         0.747209012515
            0.098429688872         0.384010610676
   2 1 1   4 1
            1.426191297486        -0.065791340635
            0.523505863528         0.542372549136
            0.201375236638         0.797050089503
            0.070034446846         0.210492677725
   3 2 2   2 1
            1.609826708743         0.292385461293
            0.364036569455         1.139261031698
#
S qavg-vSZPs-GTH-q6 qavg-vSZPs-UZH-q6 qavg-vSZPs-q6
  3
   1 0 0   4 1
            6.341395178767         0.049752329196
            2.137652747689        -0.320880461243
            0.384502631058         0.758032218166
            0.134883137157         0.413597896618
   2 1 1   4 1
            2.041753679583        -0.082811091212
            0.734457828060         0.430521359226
            0.276670944847         0.769112821920
            0.100422362816         0.326679791202
   3 2 2   2 1
            1.553241502730         0.272412764189
            0.357543979526         0.960368866931
#
Cl qavg-vSZPs-GTH-q7 qavg-vSZPs-UZH-q7 qavg-vSZPs-q7
  3
   1 0 0   4 1
           14.408834007094         0.021109579228
            2.300324183789        -0.327402347051
            0.509769060607         0.778367710672
            0.178688687693         0.526589161854
   2 1 1   4 1
            3.213327485181        -0.070438183500
            0.849788643981         0.494790572983
            0.324218541370         0.763658811073
            0.119634592534         0.357774462360
   3 2 2   2 1
            2.098389532650         0.298998915182
            0.481375794865         1.038310275997
#
Ar qavg-vSZPs-GTH-q8 qavg-vSZPs-UZH-q8 qavg-vSZPs-q8
  3
   1 0 0   4 1
           12.966456739660         0.020842739797
            2.949865599160        -0.338797344204
            0.598035043568         0.782324428716
            0.221636627787         0.501933204268
   2 1 1   4 1
            3.339271827308        -0.068323362270
            1.068788271521         0.491756279976
            0.394968570790         0.782501612578
            0.140458856061         0.300999829957
   3 2 2   2 1
            1.773440640573         0.318293127786
            0.372428134411         0.931849772307
#
K qavg-vSZPs-GTH-q1 qavg-vSZPs-UZH-q1 qavg-vSZPs-q1
  3
   1 0 0   4 1
            0.810887825554         0.069464935275
            0.322525259480        -0.355054095851
            0.042933391144         0.411252074926
            0.020353621773         0.127418882053
   2 1 1   3 1
            0.187095812063        -0.238129337616
            0.104398206060         0.206407408503
            0.024817638807         0.230838798068
   3 2 2   1 1
            0.379021020718         1.000000000000
#
K qavg-vSZPs-GTH-q9 qavg-vSZPs-UZH-q9 qavg-vSZPs-q9
  3
   1 0 0   4 1
            0.810887825554         0.069464935275
            0.322525259480        -0.355054095851
            0.042933391144         0.411252074926
            0.020353621773         0.127418882053
   2 1 1   3 1
            0.187095812063        -0.238129337616
            0.104398206060         0.206407408503
            0.024817638807         0.230838798068
   3 2 2   1 1
            0.379021020718         1.000000000000
#
Ca qavg-vSZPs-GTH-q2 qavg-vSZPs-UZH-q2 qavg-vSZPs-q2
  3
   1 0 0   4 1
            0.719502384448         0.261732548866
            0.519175529757        -0.487496382616
            0.051669773421         0.851563017961
            0.036808288222        -0.325069228255
   2 1 1   3 1
            0.367544393504        -0.264919104918
            0.086505065900         0.734483628304
            0.026083011494         0.106891287210
   3 2 2   1 1
            0.424660237924         1.000000000000
#
Ca qavg-vSZPs-GTH-q10 qavg-vSZPs-UZH-q10 qavg-vSZPs-q10
  3
   1 0 0   4 1
            0.719502384448         0.261732548866
            0.519175529757        -0.487496382616
            0.051669773421         0.851563017961
            0.036808288222        -0.325069228255
   2 1 1   3 1
            0.367544393504        -0.264919104918
            0.086505065900         0.734483628304
            0.026083011494         0.106891287210
   3 2 2   1 1
            0.424660237924         1.000000000000
#
Sc qavg-vSZPs-GTH-q3 qavg-vSZPs-UZH-q3 qavg-vSZPs-q3
  3
   1 0 0   4 1
            0.382360523961        -0.460631903293
            0.094997979571         0.661133628479
            0.043597710987         0.205047235660
            0.009301430769         0.005412443261
   2 1 1   2 1
            0.445166943259        -0.083919456515
            0.087801516924         0.295343921361
   3 2 2   4 1
           10.470857390538         0.078540129710
            2.656405907776         0.352371403561
            0.713400924359         0.686417315084
            0.199727188218         0.625663599344
#
Sc qavg-vSZPs-GTH-q11 qavg-vSZPs-UZH-q11 qavg-vSZPs-q11
  3
   1 0 0   4 1
            0.382360523961        -0.460631903293
            0.094997979571         0.661133628479
            0.043597710987         0.205047235660
            0.009301430769         0.005412443261
   2 1 1   2 1
            0.445166943259        -0.083919456515
            0.087801516924         0.295343921361
   3 2 2   4 1
           10.470857390538         0.078540129710
            2.656405907776         0.352371403561
            0.713400924359         0.686417315084
            0.199727188218         0.625663599344
#
Ti qavg-vSZPs-GTH-q4 qavg-vSZPs-UZH-q4 qavg-vSZPs-q4
  3
   1 0 0   4 1
            0.404309053785        -0.351211238851
            0.271174971229         0.005934502738
            0.124926813696         0.447914095948
            0.046807428243         0.215969093552
   2 1 1   2 1
            0.615178441763        -0.118524512260
            0.101474404625         0.674007797504
   3 2 2   4 1
           12.575301904421         0.077469245352
            3.208134669131         0.332476762539
            0.931643660893         0.594210316949
            0.255288167522         0.601443905424
#
Ti qavg-vSZPs-GTH-q12 qavg-vSZPs-UZH-q12 qavg-vSZPs-q12
  3
   1 0 0   4 1
            0.404309053785        -0.351211238851
            0.271174971229         0.005934502738
            0.124926813696         0.447914095948
            0.046807428243         0.215969093552
   2 1 1   2 1
            0.615178441763        -0.118524512260
            0.101474404625         0.674007797504
   3 2 2   4 1
           12.575301904421         0.077469245352
            3.208134669131         0.332476762539
            0.931643660893         0.594210316949
            0.255288167522         0.601443905424
#
V qavg-vSZPs-GTH-q5 qavg-vSZPs-UZH-q5 qavg-vSZPs-q5
  3
   1 0 0   4 1
            0.433780567377        -0.364050156496
            0.210695791093         0.020759686997
            0.116838332711         0.689323780340
            0.032213117279         0.056068317106
   2 1 1   2 1
            0.670117854361        -0.085400002962
            0.063621260521         0.247187664747
   3 2 2   4 1
           16.087427574919         0.081607443538
            4.249919141306         0.351711408843
            1.293567528164         0.654215584949
            0.355758240107         0.662522442211
#
V qavg-vSZPs-GTH-q13 qavg-vSZPs-UZH-q13 qavg-vSZPs-q13
  3
   1 0 0   4 1
            0.433780567377        -0.364050156496
            0.210695791093         0.020759686997
            0.116838332711         0.689323780340
            0.032213117279         0.056068317106
   2 1 1   2 1
            0.670117854361        -0.085400002962
            0.063621260521         0.247187664747
   3 2 2   4 1
           16.087427574919         0.081607443538
            4.249919141306         0.351711408843
            1.293567528164         0.654215584949
            0.355758240107         0.662522442211
#
Cr qavg-vSZPs-GTH-q6 qavg-vSZPs-UZH-q6 qavg-vSZPs-q6
  3
   1 0 0   4 1
            0.226872003216         0.138024130228
            0.476039863373        -0.356189607189
            0.110634907319         0.514170531933
            0.030767189327         0.015154580430
   2 1 1   2 1
            0.115021638430         0.232342931720
            0.020791275957        -0.012726695278
   3 2 2   4 1
           17.936841275192         0.088844972741
            4.849752627745         0.367351679626
            1.532350459186         0.665134345685
            0.429100841811         0.664387572073
#
Cr qavg-vSZPs-GTH-q14 qavg-vSZPs-UZH-q14 qavg-vSZPs-q14
  3
   1 0 0   4 1
            0.226872003216         0.138024130228
            0.476039863373        -0.356189607189
            0.110634907319         0.514170531933
            0.030767189327         0.015154580430
   2 1 1   2 1
            0.115021638430         0.232342931720
            0.020791275957        -0.012726695278
   3 2 2   4 1
           17.936841275192         0.088844972741
            4.849752627745         0.367351679626
            1.532350459186         0.665134345685
            0.429100841811         0.664387572073
#
Mn qavg-vSZPs-GTH-q7 qavg-vSZPs-UZH-q7 qavg-vSZPs-q7
  3
   1 0 0   4 1
            0.554116240971        -0.301066107589
            0.307103131784         0.000767256683
            0.184341934225         0.341275181608
            0.057801093837         0.115469174167
   2 1 1   2 1
            0.992284610407         0.238130773871
            0.063220089745         0.109564090689
   3 2 2   4 1
           22.314980427804         0.079722147884
            5.935017818397         0.364268223984
            1.819683428525         0.689292801377
            0.501935059465         0.668737667837
#
Mn qavg-vSZPs-GTH-q15 qavg-vSZPs-UZH-q15 qavg-vSZPs-q15
  3
   1 0 0   4 1
            0.554116240971        -0.301066107589
            0.307103131784         0.000767256683
            0.184341934225         0.341275181608
            0.057801093837         0.115469174167
   2 1 1   2 1
            0.992284610407         0.238130773871
            0.063220089745         0.109564090689
   3 2 2   4 1
           22.314980427804         0.079722147884
            5.935017818397         0.364268223984
            1.819683428525         0.689292801377
            0.501935059465         0.668737667837
#
Fe qavg-vSZPs-GTH-q8 qavg-vSZPs-UZH-q8 qavg-vSZPs-q8
  3
   1 0 0   4 1
            0.619741475585        -0.372650834402
            1.399589468335         0.004837821946
            0.064964990709         0.532038999756
            0.121223847764         0.800679477641
   2 1 1   2 1
            1.483491066917        -0.061110422962
            0.095326837075         0.766602959694
   3 2 2   4 1
           23.207965847380         0.085354006244
            6.230472570755         0.375338510043
            1.904911412720         0.673304932179
            0.518213545410         0.627408679611
#
Fe qavg-vSZPs-GTH-q16 qavg-vSZPs-UZH-q16 qavg-vSZPs-q16
  3
   1 0 0   4 1
            0.619741475585        -0.372650834402
            1.399589468335         0.004837821946
            0.064964990709         0.532038999756
            0.121223847764         0.800679477641
   2 1 1   2 1
            1.483491066917        -0.061110422962
            0.095326837075         0.766602959694
   3 2 2   4 1
           23.207965847380         0.085354006244
            6.230472570755         0.375338510043
            1.904911412720         0.673304932179
            0.518213545410         0.627408679611
#
Co qavg-vSZPs-GTH-q9 qavg-vSZPs-UZH-q9 qavg-vSZPs-q9
  3
   1 0 0   4 1
            0.710150927318        -0.422375604570
            0.313332840460         0.001822338494
            0.117010645169         1.410102456478
            0.024137491923         0.152415181564
   2 1 1   2 1
            0.127104406892         0.402889739514
            0.110580808704         1.117345416653
   3 2 2   4 1
           26.801622353274         0.085559338476
            7.131428448832         0.383896910355
            2.184121751250         0.687620408659
            0.598738990866         0.621868284323
#
Co qavg-vSZPs-GTH-q17 qavg-vSZPs-UZH-q17 qavg-vSZPs-q17
  3
   1 0 0   4 1
            0.710150927318        -0.422375604570
            0.313332840460         0.001822338494
            0.117010645169         1.410102456478
            0.024137491923         0.152415181564
   2 1 1   2 1
            0.127104406892         0.402889739514
            0.110580808704         1.117345416653
   3 2 2   4 1
           26.801622353274         0.085559338476
            7.131428448832         0.383896910355
            2.184121751250         0.687620408659
            0.598738990866         0.621868284323
#
Ni qavg-vSZPs-GTH-q10 qavg-vSZPs-UZH-q10 qavg-vSZPs-q10
  3
   1 0 0   4 1
            0.779403891790        -0.238630805063
            0.071828948376         0.023009068794
            0.091295860751         1.017050625737
            0.021923099248         0.237871744829
   2 1 1   2 1
            0.114842666755         0.584541953902
            0.050243789841         0.514615557690
   3 2 2   4 1
           27.130766654911         0.095481477903
            7.287626354146         0.408905841652
            2.189746282218         0.695793660589
            0.569279205179         0.618907103792
#
Ni qavg-vSZPs-GTH-q18 qavg-vSZPs-UZH-q18 qavg-vSZPs-q18
  3
   1 0 0   4 1
            0.779403891790        -0.238630805063
            0.071828948376         0.023009068794
            0.091295860751         1.017050625737
            0.021923099248         0.237871744829
   2 1 1   2 1
            0.114842666755         0.584541953902
            0.050243789841         0.514615557690
   3 2 2   4 1
           27.130766654911         0.095481477903
            7.287626354146         0.408905841652
            2.189746282218         0.695793660589
            0.569279205179         0.618907103792
#
Cu qavg-vSZPs-GTH-q1 qavg-vSZPs-UZH-q1 qavg-vSZPs-q1
  3
   1 0 0   4 1
            0.781520627528        -0.319903058967
            0.255587716124         0.019029469712
            0.135621907069         0.780631134646
            0.040734227578         0.365978289857
   2 1 1   2 1
            1.116050225276        -0.033107756887
            0.120793216165         0.551469595245
   3 2 2   4 1
           31.140002976620         0.088932748844
            8.276905821418         0.392842893151
            2.482700299739         0.676553575631
            0.639950837466         0.595963733890
#
Cu qavg-vSZPs-GTH-q11 qavg-vSZPs-UZH-q11 qavg-vSZPs-q11
  3
   1 0 0   4 1
            0.781520627528        -0.319903058967
            0.255587716124         0.019029469712
            0.135621907069         0.780631134646
            0.040734227578         0.365978289857
   2 1 1   2 1
            1.116050225276        -0.033107756887
            0.120793216165         0.551469595245
   3 2 2   4 1
           31.140002976620         0.088932748844
            8.276905821418         0.392842893151
            2.482700299739         0.676553575631
            0.639950837466         0.595963733890
#
Cu qavg-vSZPs-GTH-q19 qavg-vSZPs-UZH-q19 qavg-vSZPs-q19
  3
   1 0 0   4 1
            0.781520627528        -0.319903058967
            0.255587716124         0.019029469712
            0.135621907069         0.780631134646
            0.040734227578         0.365978289857
   2 1 1   2 1
            1.116050225276        -0.033107756887
            0.120793216165         0.551469595245
   3 2 2   4 1
           31.140002976620         0.088932748844
            8.276905821418         0.392842893151
            2.482700299739         0.676553575631
            0.639950837466         0.595963733890
#
Zn qavg-vSZPs-GTH-q2 qavg-vSZPs-UZH-q2 qavg-vSZPs-q2
  3
   1 0 0   4 1
            1.816261857632         0.188761140962
            1.276080973196        -0.369963067889
            0.357625259645         0.040426391726
            0.104983867906         0.758642023434
   2 1 1   2 1
            1.452004855447        -0.035784958824
            0.134092095999         0.562816469101
   3 2 2   2 1
            0.174417599045         1.058141103923
            0.066102670644         0.463735415810
#
Zn qavg-vSZPs-GTH-q12 qavg-vSZPs-UZH-q12 qavg-vSZPs-q12
  3
   1 0 0   4 1
            1.816261857632         0.188761140962
            1.276080973196        -0.369963067889
            0.357625259645         0.040426391726
            0.104983867906         0.758642023434
   2 1 1   2 1
            1.452004855447        -0.035784958824
            0.134092095999         0.562816469101
   3 2 2   2 1
            0.174417599045         1.058141103923
            0.066102670644         0.463735415810
#
Zn qavg-vSZPs-GTH-q20 qavg-vSZPs-UZH-q20 qavg-vSZPs-q20
  3
   1 0 0   4 1
            1.816261857632         0.188761140962
            1.276080973196        -0.369963067889
            0.357625259645         0.040426391726
            0.104983867906         0.758642023434
   2 1 1   2 1
            1.452004855447        -0.035784958824
            0.134092095999         0.562816469101
   3 2 2   2 1
            0.174417599045         1.058141103923
            0.066102670644         0.463735415810
#
Ga qavg-vSZPs-GTH-q3 qavg-vSZPs-UZH-q3 qavg-vSZPs-q3
  3
   1 0 0   4 1
            0.860991571100        -0.464817366499
            0.165368864700         0.260903334321
            0.262774947500         0.627211700899
            0.070264478600         0.292703743828
   2 1 1   4 1
            1.063762237000        -0.282583827094
            0.717573700900         0.273241251626
            0.194059758000         0.430375052453
            0.073242039800         0.238776145955
   3 2 2   2 1
            0.348543259100         0.373196870187
            0.103332608600         0.596931735338
#
Ga qavg-vSZPs-GTH-q13 qavg-vSZPs-UZH-q13 qavg-vSZPs-q13
  3
   1 0 0   4 1
            0.860991571100        -0.464817366499
            0.165368864700         0.260903334321
            0.262774947500         0.627211700899
            0.070264478600         0.292703743828
   2 1 1   4 1
            1.063762237000        -0.282583827094
            0.717573700900         0.273241251626
            0.194059758000         0.430375052453
            0.073242039800         0.238776145955
   3 2 2   2 1
            0.348543259100         0.373196870187
            0.103332608600         0.596931735338
#
Ga qavg-vSZPs-GTH-q21 qavg-vSZPs-UZH-q21 qavg-vSZPs-q21
  3
   1 0 0   4 1
            0.860991571100        -0.464817366499
            0.165368864700         0.260903334321
            0.262774947500         0.627211700899
            0.070264478600         0.292703743828
   2 1 1   4 1
            1.063762237000        -0.282583827094
            0.717573700900         0.273241251626
            0.194059758000         0.430375052453
            0.073242039800         0.238776145955
   3 2 2   2 1
            0.348543259100         0.373196870187
            0.103332608600         0.596931735338
#
Ge qavg-vSZPs-GTH-q4 qavg-vSZPs-UZH-q4 qavg-vSZPs-q4
  3
   1 0 0   4 1
            0.952618854400        -0.437230576299
            0.287221432300         0.791010609827
            0.023273208360         0.016418764836
            0.074919505000         0.429888653990
   2 1 1   4 1
            1.247988132900        -0.330549604629
            0.783191484500         0.313854070656
            0.221360499200         0.752824611146
            0.074948500900         0.351795896485
   3 2 2   2 1
            0.385285339700         0.478150816009
            0.130814409700         0.595899531383
#
Ge qavg-vSZPs-GTH-q14 qavg-vSZPs-UZH-q14 qavg-vSZPs-q14
  3
   1 0 0   4 1
            0.952618854400        -0.437230576299
            0.287221432300         0.791010609827
            0.023273208360         0.016418764836
            0.074919505000         0.429888653990
   2 1 1   4 1
            1.247988132900        -0.330549604629
            0.783191484500         0.313854070656
            0.221360499200         0.752824611146
            0.074948500900         0.351795896485
   3 2 2   2 1
            0.385285339700         0.478150816009
            0.130814409700         0.595899531383
#
Ge qavg-vSZPs-GTH-q22 qavg-vSZPs-UZH-q22 qavg-vSZPs-q22
  3
   1 0 0   4 1
            0.952618854400        -0.437230576299
            0.287221432300         0.791010609827
            0.023273208360         0.016418764836
            0.074919505000         0.429888653990
   2 1 1   4 1
            1.247988132900        -0.330549604629
            0.783191484500         0.313854070656
            0.221360499200         0.752824611146
            0.074948500900         0.351795896485
   3 2 2   2 1
            0.385285339700         0.478150816009
            0.130814409700         0.595899531383
#
As qavg-vSZPs-GTH-q5 qavg-vSZPs-UZH-q5 qavg-vSZPs-q5
  3
   1 0 0   4 1
            1.355536918544         0.124352254909
            1.339229455626         0.141341373291
            0.231036306717         0.052496826366
            0.222769933553        -0.980409054831
   2 1 1   4 1
            1.433699989922        -0.296689979927
            0.679285216179         0.402021484831
            0.220706501456         0.894647159444
            0.070959262708         0.320092785043
   3 2 2   2 1
            0.292951433876         1.150028494984
            0.102487488450         0.411716917829
#
As qavg-vSZPs-GTH-q15 qavg-vSZPs-UZH-q15 qavg-vSZPs-q15
  3
   1 0 0   4 1
            1.355536918544         0.124352254909
            1.339229455626         0.141341373291
            0.231036306717         0.052496826366
            0.222769933553        -0.980409054831
   2 1 1   4 1
            1.433699989922        -0.296689979927
            0.679285216179         0.402021484831
            0.220706501456         0.894647159444
            0.070959262708         0.320092785043
   3 2 2   2 1
            0.292951433876         1.150028494984
            0.102487488450         0.411716917829
#
As qavg-vSZPs-GTH-q23 qavg-vSZPs-UZH-q23 qavg-vSZPs-q23
  3
   1 0 0   4 1
            1.355536918544         0.124352254909
            1.339229455626         0.141341373291
            0.231036306717         0.052496826366
            0.222769933553        -0.980409054831
   2 1 1   4 1
            1.433699989922        -0.296689979927
            0.679285216179         0.402021484831
            0.220706501456         0.894647159444
            0.070959262708         0.320092785043
   3 2 2   2 1
            0.292951433876         1.150028494984
            0.102487488450         0.411716917829
#
Se qavg-vSZPs-GTH-q6 qavg-vSZPs-UZH-q6 qavg-vSZPs-q6
  3
   1 0 0   4 1
            1.110695091159        -0.568411586938
            0.540519594984         0.696244496438
            0.189799569120         0.395513256020
            0.093867057816         0.151592026190
   2 1 1   4 1
            1.344042164244        -0.414076068748
            0.997046773404         0.468922875082
            0.285121841619         0.697231989240
            0.100988073091         0.331020799816
   3 2 2   2 1
            0.318759764625         0.957261872143
            0.123712744460         0.224153358612
#
Se qavg-vSZPs-GTH-q16 qavg-vSZPs-UZH-q16 qavg-vSZPs-q16
  3
   1 0 0   4 1
            1.110695091159        -0.568411586938
            0.540519594984         0.696244496438
            0.189799569120         0.395513256020
            0.093867057816         0.151592026190
   2 1 1   4 1
            1.344042164244        -0.414076068748
            0.997046773404         0.468922875082
            0.285121841619         0.697231989240
            0.100988073091         0.331020799816
   3 2 2   2 1
            0.318759764625         0.957261872143
            0.123712744460         0.224153358612
#
Se qavg-vSZPs-GTH-q24 qavg-vSZPs-UZH-q24 qavg-vSZPs-q24
  3
   1 0 0   4 1
            1.110695091159        -0.568411586938
            0.540519594984         0.696244496438
            0.189799569120         0.395513256020
            0.093867057816         0.151592026190
   2 1 1   4 1
            1.344042164244        -0.414076068748
            0.997046773404         0.468922875082
            0.285121841619         0.697231989240
            0.100988073091         0.331020799816
   3 2 2   2 1
            0.318759764625         0.957261872143
            0.123712744460         0.224153358612
#
Br qavg-vSZPs-GTH-q7 qavg-vSZPs-UZH-q7 qavg-vSZPs-q7
  3
   1 0 0   4 1
            4.075628801803         0.179268337738
            2.482832455991        -0.458896290100
            0.367285805907         0.749892231690
            0.127160947273         0.286319377228
   2 1 1   4 1
            1.869763319724        -0.249348996765
            0.933208532331         0.344737662930
            0.325249605230         0.783183494155
            0.114382152041         0.455430639170
   3 2 2   2 1
            0.444376106860         0.770150267748
            0.172148765172         0.622512423650
#
Br qavg-vSZPs-GTH-q17 qavg-vSZPs-UZH-q17 qavg-vSZPs-q17
  3
   1 0 0   4 1
            4.075628801803         0.179268337738
            2.482832455991        -0.458896290100
            0.367285805907         0.749892231690
            0.127160947273         0.286319377228
   2 1 1   4 1
            1.869763319724        -0.249348996765
            0.933208532331         0.344737662930
            0.325249605230         0.783183494155
            0.114382152041         0.455430639170
   3 2 2   2 1
            0.444376106860         0.770150267748
            0.172148765172         0.622512423650
#
Br qavg-vSZPs-GTH-q25 qavg-vSZPs-UZH-q25 qavg-vSZPs-q25
  3
   1 0 0   4 1
            4.075628801803         0.179268337738
            2.482832455991        -0.458896290100
            0.367285805907         0.749892231690
            0.127160947273         0.286319377228
   2 1 1   4 1
            1.869763319724        -0.249348996765
            0.933208532331         0.344737662930
            0.325249605230         0.783183494155
            0.114382152041         0.455430639170
   3 2 2   2 1
            0.444376106860         0.770150267748
            0.172148765172         0.622512423650
#
Kr qavg-vSZPs-GTH-q8 qavg-vSZPs-UZH-q8 qavg-vSZPs-q8
  3
   1 0 0   4 1
            1.558644141642        -0.443462377378
            0.525430167536         0.801951488653
            0.174761255585         0.313906958588
            0.080015588014         0.037233469925
   2 1 1   4 1
            2.365779640980        -0.180657839308
            0.757586844386         0.495920199569
            0.297659744157         0.757835808026
            0.115027844456         0.260760010048
   3 2 2   2 1
            0.538121147172         0.526070977606
            0.189494522095         0.881069893548
#
Kr qavg-vSZPs-GTH-q18 qavg-vSZPs-UZH-q18 qavg-vSZPs-q18
  3
   1 0 0   4 1
            1.558644141642        -0.443462377378
            0.525430167536         0.801951488653
            0.174761255585         0.313906958588
            0.080015588014         0.037233469925
   2 1 1   4 1
            2.365779640980        -0.180657839308
            0.757586844386         0.495920199569
            0.297659744157         0.757835808026
            0.115027844456         0.260760010048
   3 2 2   2 1
            0.538121147172         0.526070977606
            0.189494522095         0.881069893548
#
Kr qavg-vSZPs-GTH-q26 qavg-vSZPs-UZH-q26 qavg-vSZPs-q26
  3
   1 0 0   4 1
            1.558644141642        -0.443462377378
            0.525430167536         0.801951488653
            0.174761255585         0.313906958588
            0.080015588014         0.037233469925
   2 1 1   4 1
            2.365779640980        -0.180657839308
            0.757586844386         0.495920199569
            0.297659744157         0.757835808026
            0.115027844456         0.260760010048
   3 2 2   2 1
            0.538121147172         0.526070977606
            0.189494522095         0.881069893548
#
Rb qavg-vSZPs-GTH-q1 qavg-vSZPs-UZH-q1 qavg-vSZPs-q1
  3
   1 0 0   4 1
            0.548413505436         0.268462208801
            0.343011884031        -0.556854834778
            0.035770178930         0.459318405648
            0.019364337401         0.121690269088
   2 1 1   3 1
            0.172100939212        -0.132130983525
            0.082104585014         0.122406281337
            0.022207181981         0.396276376545
   3 2 2   1 1
            0.179203700511         1.000000000000
#
Rb qavg-vSZPs-GTH-q9 qavg-vSZPs-UZH-q9 qavg-vSZPs-q9
  3
   1 0 0   4 1
            0.548413505436         0.268462208801
            0.343011884031        -0.556854834778
            0.035770178930         0.459318405648
            0.019364337401         0.121690269088
   2 1 1   3 1
            0.172100939212        -0.132130983525
            0.082104585014         0.122406281337
            0.022207181981         0.396276376545
   3 2 2   1 1
            0.179203700511         1.000000000000
#
Sr qavg-vSZPs-GTH-q2 qavg-vSZPs-UZH-q2 qavg-vSZPs-q2
  3
   1 0 0   4 1
            0.641341413137         0.255757888447
            0.395649206365        -0.585478048273
            0.054627187909         0.748964777207
            0.025763729601        -0.071321698835
   2 1 1   3 1
            0.199056529314        -0.367196358364
            0.098764715209         0.424289627267
            0.027205854093         0.202625679927
   3 2 2   1 1
            0.283640964447         1.000000000000
#
Sr qavg-vSZPs-GTH-q10 qavg-vSZPs-UZH-q10 qavg-vSZPs-q10
  3
   1 0 0   4 1
            0.641341413137         0.255757888447
            0.395649206365        -0.585478048273
            0.054627187909         0.748964777207
            0.025763729601        -0.071321698835
   2 1 1   3 1
            0.199056529314        -0.367196358364
            0.098764715209         0.424289627267
            0.027205854093         0.202625679927
   3 2 2   1 1
            0.283640964447         1.000000000000
#
Y qavg-vSZPs-GTH-q3 qavg-vSZPs-UZH-q3 qavg-vSZPs-q3
  3
   1 0 0   4 1
            0.228057547385        -0.635433565928
            0.139498521878         0.602064219523
            0.045781719833         0.047890092174
            0.037948949679         0.034170776307
   2 1 1   2 1
            0.338124609347        -0.156809989741
            0.076330544973         0.281797144668
   3 2 2   4 1
           10.706415117534        -0.006426927844
            1.026717772917         0.293249490863
            0.339610758316         0.685710578706
            0.110478019326         0.391189361982
#
Y qavg-vSZPs-GTH-q11 qavg-vSZPs-UZH-q11 qavg-vSZPs-q11
  3
   1 0 0   4 1
            0.228057547385        -0.635433565928
            0.139498521878         0.602064219523
            0.045781719833         0.047890092174
            0.037948949679         0.034170776307
   2 1 1   2 1
            0.338124609347        -0.156809989741
            0.076330544973         0.281797144668
   3 2 2   4 1
           10.706415117534        -0.006426927844
            1.026717772917         0.293249490863
            0.339610758316         0.685710578706
            0.110478019326         0.391189361982
#
Zr qavg-vSZPs-GTH-q4 qavg-vSZPs-UZH-q4 qavg-vSZPs-q4
  3
   1 0 0   4 1
            0.254070051258        -0.502502233753
            0.052878330805         0.097584549638
            0.142730345041         0.543544909722
            0.037264337258         0.095942153162
   2 1 1   2 1
            0.411420979545        -0.070946097752
            0.077427123684         0.354708059511
   3 2 2   4 1
            1.157638215681        -0.014163088377
            1.143506967950         0.359721352754
            0.394044505892         0.694183525639
            0.127221087224         0.430353405810
#
Zr qavg-vSZPs-GTH-q12 qavg-vSZPs-UZH-q12 qavg-vSZPs-q12
  3
   1 0 0   4 1
            0.254070051258        -0.502502233753
            0.052878330805         0.097584549638
            0.142730345041         0.543544909722
            0.037264337258         0.095942153162
   2 1 1   2 1
            0.411420979545        -0.070946097752
            0.077427123684         0.354708059511
   3 2 2   4 1
            1.157638215681        -0.014163088377
            1.143506967950         0.359721352754
            0.394044505892         0.694183525639
            0.127221087224         0.430353405810
#
Nb qavg-vSZPs-GTH-q5 qavg-vSZPs-UZH-q5 qavg-vSZPs-q5
  3
   1 0 0   4 1
            0.322999428810        -0.445399890853
            0.034054507659         0.101327499590
            0.125230160844         0.605379709719
            0.043193108709        -0.088196536481
   2 1 1   2 1
            0.436114136167        -0.093422658144
            0.088329193395         0.346527854055
   3 2 2   4 1
           11.819017933915        -0.011007634324
            1.381102615278         0.370601761102
            0.492583945483         0.754147035928
            0.161859540423         0.478318625239
#
Nb qavg-vSZPs-GTH-q13 qavg-vSZPs-UZH-q13 qavg-vSZPs-q13
  3
   1 0 0   4 1
            0.322999428810        -0.445399890853
            0.034054507659         0.101327499590
            0.125230160844         0.605379709719
            0.043193108709        -0.088196536481
   2 1 1   2 1
            0.436114136167        -0.093422658144
            0.088329193395         0.346527854055
   3 2 2   4 1
           11.819017933915        -0.011007634324
            1.381102615278         0.370601761102
            0.492583945483         0.754147035928
            0.161859540423         0.478318625239
#
Mo qavg-vSZPs-GTH-q6 qavg-vSZPs-UZH-q6 qavg-vSZPs-q6
  3
   1 0 0   4 1
            0.354668195175        -0.426688341402
            0.115770628106         0.780186103277
            0.042858965317        -0.015937289778
            0.032345663019        -0.021128993558
   2 1 1   2 1
            0.503080705442        -0.151704128204
            0.102301049893         0.459915182598
   3 2 2   4 1
           14.201344077694        -0.010752018682
            1.599112282209         0.372692908669
            0.592739052347         0.749863692999
            0.196496561967         0.534313886641
#
Mo qavg-vSZPs-GTH-q14 qavg-vSZPs-UZH-q14 qavg-vSZPs-q14
  3
   1 0 0   4 1
            0.354668195175        -0.426688341402
            0.115770628106         0.780186103277
            0.042858965317        -0.015937289778
            0.032345663019        -0.021128993558
   2 1 1   2 1
            0.503080705442        -0.151704128204
            0.102301049893         0.459915182598
   3 2 2   4 1
           14.201344077694        -0.010752018682
            1.599112282209         0.372692908669
            0.592739052347         0.749863692999
            0.196496561967         0.534313886641
#
Tc qavg-vSZPs-GTH-q7 qavg-vSZPs-UZH-q7 qavg-vSZPs-q7
  3
   1 0 0   4 1
            0.411824979213        -0.438427569711
            0.169654282335         0.410313036934
            0.837211832727         0.025932210275
            0.056838367880         0.161978973801
   2 1 1   2 1
            0.457534271144        -0.194849299085
            0.143794587181         0.345897170253
   3 2 2   4 1
           19.123736078614        -0.008513761100
            1.789833088406         0.386748288375
            0.677205043260         0.760909068491
            0.225224275438         0.530318475109
#
Tc qavg-vSZPs-GTH-q15 qavg-vSZPs-UZH-q15 qavg-vSZPs-q15
  3
   1 0 0   4 1
            0.411824979213        -0.438427569711
            0.169654282335         0.410313036934
            0.837211832727         0.025932210275
            0.056838367880         0.161978973801
   2 1 1   2 1
            0.457534271144        -0.194849299085
            0.143794587181         0.345897170253
   3 2 2   4 1
           19.123736078614        -0.008513761100
            1.789833088406         0.386748288375
            0.677205043260         0.760909068491
            0.225224275438         0.530318475109
#
Ru qavg-vSZPs-GTH-q8 qavg-vSZPs-UZH-q8 qavg-vSZPs-q8
  3
   1 0 0   4 1
            0.475952949303        -0.339349575795
            0.093974561964         0.855346579860
            0.090805975878         0.025221245750
            0.032173086614        -0.019419707967
   2 1 1   2 1
            0.601610812074        -0.140379103424
            0.108278454012         0.603752996238
   3 2 2   4 1
           17.724072088063        -0.010924289126
            1.931966216208         0.411346450832
            0.729802293556         0.751385978202
            0.240312768105         0.500921733087
#
Ru qavg-vSZPs-GTH-q16 qavg-vSZPs-UZH-q16 qavg-vSZPs-q16
  3
   1 0 0   4 1
            0.475952949303        -0.339349575795
            0.093974561964         0.855346579860
            0.090805975878         0.025221245750
            0.032173086614        -0.019419707967
   2 1 1   2 1
            0.601610812074        -0.140379103424
            0.108278454012         0.603752996238
   3 2 2   4 1
           17.724072088063        -0.010924289126
            1.931966216208         0.411346450832
            0.729802293556         0.751385978202
            0.240312768105         0.500921733087
#
Rh qavg-vSZPs-GTH-q9 qavg-vSZPs-UZH-q9 qavg-vSZPs-q9
  3
   1 0 0   4 1
            0.464819889439        -0.637889531302
            0.164433770704         0.829940720983
            0.100904129162         0.084200609617
            0.047463719565         0.168580617555
   2 1 1   2 1
            0.602823706696        -0.212161652848
            0.109238006563         1.010365696426
   3 2 2   4 1
           23.138661785208        -0.007964991971
            2.272566213961         0.317841231895
            0.901383961426         0.657566994788
            0.298824161569         0.482595647794
#
Rh qavg-vSZPs-GTH-q17 qavg-vSZPs-UZH-q17 qavg-vSZPs-q17
  3
   1 0 0   4 1
            0.464819889439        -0.637889531302
            0.164433770704         0.829940720983
            0.100904129162         0.084200609617
            0.047463719565         0.168580617555
   2 1 1   2 1
            0.602823706696        -0.212161652848
            0.109238006563         1.010365696426
   3 2 2   4 1
           23.138661785208        -0.007964991971
            2.272566213961         0.317841231895
            0.901383961426         0.657566994788
            0.298824161569         0.482595647794
#
Pd qavg-vSZPs-GTH-q10 qavg-vSZPs-UZH-q10 qavg-vSZPs-q10
  3
   1 0 0   4 1
            0.482733435659        -0.390744174258
            0.199227919844         0.192987410293
            0.085665714157         0.875732111523
            0.023722167335         0.177435280288
   2 1 1   2 1
            0.675119979926        -0.122966566473
            0.090681287887         1.026357938044
   3 2 2   4 1
           21.570970292885        -0.010487117564
            2.245807205928         0.463786834494
            0.838566977733         0.770412545229
            0.257251074051         0.503700307123
#
Pd qavg-vSZPs-GTH-q18 qavg-vSZPs-UZH-q18 qavg-vSZPs-q18
  3
   1 0 0   4 1
            0.482733435659        -0.390744174258
            0.199227919844         0.192987410293
            0.085665714157         0.875732111523
            0.023722167335         0.177435280288
   2 1 1   2 1
            0.675119979926        -0.122966566473
            0.090681287887         1.026357938044
   3 2 2   4 1
           21.570970292885        -0.010487117564
            2.245807205928         0.463786834494
            0.838566977733         0.770412545229
            0.257251074051         0.503700307123
#
Ag qavg-vSZPs-GTH-q1 qavg-vSZPs-UZH-q1 qavg-vSZPs-q1
  3
   1 0 0   4 1
            0.529928366754        -0.367041673516
            0.138422561742         0.631627174371
            0.052832951127         0.133666558054
            0.041134751203         0.129495696799
   2 1 1   2 1
            0.787624914478        -0.093725320300
            0.103778104970         0.657729533183
   3 2 2   4 1
           20.431377292361        -0.013321291294
            2.473272722244         0.453955283091
            0.955388084331         0.748661541589
            0.306153222354         0.480659981900
#
Ag qavg-vSZPs-GTH-q11 qavg-vSZPs-UZH-q11 qavg-vSZPs-q11
  3
   1 0 0   4 1
            0.529928366754        -0.367041673516
            0.138422561742         0.631627174371
            0.052832951127         0.133666558054
            0.041134751203         0.129495696799
   2 1 1   2 1
            0.787624914478        -0.093725320300
            0.103778104970         0.657729533183
   3 2 2   4 1
           20.431377292361        -0.013321291294
            2.473272722244         0.453955283091
            0.955388084331         0.748661541589
            0.306153222354         0.480659981900
#
Ag qavg-vSZPs-GTH-q19 qavg-vSZPs-UZH-q19 qavg-vSZPs-q19
  3
   1 0 0   4 1
            0.529928366754        -0.367041673516
            0.138422561742         0.631627174371
            0.052832951127         0.133666558054
            0.041134751203         0.129495696799
   2 1 1   2 1
            0.787624914478        -0.093725320300
            0.103778104970         0.657729533183
   3 2 2   4 1
           20.431377292361        -0.013321291294
            2.473272722244         0.453955283091
            0.955388084331         0.748661541589
            0.306153222354         0.480659981900
#
Cd qavg-vSZPs-GTH-q2 qavg-vSZPs-UZH-q2 qavg-vSZPs-q2
  3
   1 0 0   4 1
            0.457207759759        -0.509580431045
            0.102435643093         0.032552837535
            0.215762471202         0.658365289831
            0.057972409558         0.277410008785
   2 1 1   2 1
            0.095398066347         0.517401991861
            0.037173354603         0.047316878897
   3 2 2   2 1
            0.097948838363         0.676929888658
            0.047243138759        -0.022465709921
#
Cd qavg-vSZPs-GTH-q12 qavg-vSZPs-UZH-q12 qavg-vSZPs-q12
  3
   1 0 0   4 1
            0.457207759759        -0.509580431045
            0.102435643093         0.032552837535
            0.215762471202         0.658365289831
            0.057972409558         0.277410008785
   2 1 1   2 1
            0.095398066347         0.517401991861
            0.037173354603         0.047316878897
   3 2 2   2 1
            0.097948838363         0.676929888658
            0.047243138759        -0.022465709921
#
Cd qavg-vSZPs-GTH-q20 qavg-vSZPs-UZH-q20 qavg-vSZPs-q20
  3
   1 0 0   4 1
            0.457207759759        -0.509580431045
            0.102435643093         0.032552837535
            0.215762471202         0.658365289831
            0.057972409558         0.277410008785
   2 1 1   2 1
            0.095398066347         0.517401991861
            0.037173354603         0.047316878897
   3 2 2   2 1
            0.097948838363         0.676929888658
            0.047243138759        -0.022465709921
#
In qavg-vSZPs-GTH-q3 qavg-vSZPs-UZH-q3 qavg-vSZPs-q3
  3
   1 0 0   4 1
            0.520634207891        -0.451363128565
            0.319616240584         0.203402860653
            0.169439227235         0.524788115479
            0.054154215416         0.089335961654
   2 1 1   4 1
            1.434291894766         0.249828744036
            1.184085429231        -0.374980730469
            0.198690934063         0.402286785201
            0.062976917781         0.225051325047
   3 2 2   2 1
            0.105046978925         0.711599585177
            0.076152395899         0.022961584586
#
In qavg-vSZPs-GTH-q13 qavg-vSZPs-UZH-q13 qavg-vSZPs-q13
  3
   1 0 0   4 1
            0.520634207891        -0.451363128565
            0.319616240584         0.203402860653
            0.169439227235         0.524788115479
            0.054154215416         0.089335961654
   2 1 1   4 1
            1.434291894766         0.249828744036
            1.184085429231        -0.374980730469
            0.198690934063         0.402286785201
            0.062976917781         0.225051325047
   3 2 2   2 1
            0.105046978925         0.711599585177
            0.076152395899         0.022961584586
#
In qavg-vSZPs-GTH-q21 qavg-vSZPs-UZH-q21 qavg-vSZPs-q21
  3
   1 0 0   4 1
            0.520634207891        -0.451363128565
            0.319616240584         0.203402860653
            0.169439227235         0.524788115479
            0.054154215416         0.089335961654
   2 1 1   4 1
            1.434291894766         0.249828744036
            1.184085429231        -0.374980730469
            0.198690934063         0.402286785201
            0.062976917781         0.225051325047
   3 2 2   2 1
            0.105046978925         0.711599585177
            0.076152395899         0.022961584586
#
Sn qavg-vSZPs-GTH-q4 qavg-vSZPs-UZH-q4 qavg-vSZPs-q4
  3
   1 0 0   4 1
            0.634748186800        -0.551985130629
            0.402185199546         0.217189362725
            0.201172161989         0.711765653954
            0.054913352585         0.242314051813
   2 1 1   4 1
            1.029879803862        -0.201962052917
            0.234365817247         0.786786267968
            0.083964281013         0.541629643861
            0.052655419447         0.002145450139
   3 2 2   2 1
            0.195862055017         0.665995086815
            0.096024048479         0.306833803940
#
Sn qavg-vSZPs-GTH-q14 qavg-vSZPs-UZH-q14 qavg-vSZPs-q14
  3
   1 0 0   4 1
            0.634748186800        -0.551985130629
            0.402185199546         0.217189362725
            0.201172161989         0.711765653954
            0.054913352585         0.242314051813
   2 1 1   4 1
            1.029879803862        -0.201962052917
            0.234365817247         0.786786267968
            0.083964281013         0.541629643861
            0.052655419447         0.002145450139
   3 2 2   2 1
            0.195862055017         0.665995086815
            0.096024048479         0.306833803940
#
Sn qavg-vSZPs-GTH-q22 qavg-vSZPs-UZH-q22 qavg-vSZPs-q22
  3
   1 0 0   4 1
            0.634748186800        -0.551985130629
            0.402185199546         0.217189362725
            0.201172161989         0.711765653954
            0.054913352585         0.242314051813
   2 1 1   4 1
            1.029879803862        -0.201962052917
            0.234365817247         0.786786267968
            0.083964281013         0.541629643861
            0.052655419447         0.002145450139
   3 2 2   2 1
            0.195862055017         0.665995086815
            0.096024048479         0.306833803940
#
Sb qavg-vSZPs-GTH-q5 qavg-vSZPs-UZH-q5 qavg-vSZPs-q5
  3
   1 0 0   4 1
            0.588623084675        -0.722132926631
            0.362795381781         0.357441005679
            0.366614719335         0.489703082908
            0.096054466731         0.372037982775
   2 1 1   4 1
            0.765700233873        -0.425644550639
            0.439431720303         0.527304867358
            0.153128431314         0.677463338153
            0.052201520981         0.114327532454
   3 2 2   2 1
            0.189750250411         0.982926661437
            0.183577052216         0.084061834185
#
Sb qavg-vSZPs-GTH-q15 qavg-vSZPs-UZH-q15 qavg-vSZPs-q15
  3
   1 0 0   4 1
            0.588623084675        -0.722132926631
            0.362795381781         0.357441005679
            0.366614719335         0.489703082908
            0.096054466731         0.372037982775
   2 1 1   4 1
            0.765700233873        -0.425644550639
            0.439431720303         0.527304867358
            0.153128431314         0.677463338153
            0.052201520981         0.114327532454
   3 2 2   2 1
            0.189750250411         0.982926661437
            0.183577052216         0.084061834185
#
Sb qavg-vSZPs-GTH-q23 qavg-vSZPs-UZH-q23 qavg-vSZPs-q23
  3
   1 0 0   4 1
            0.588623084675        -0.722132926631
            0.362795381781         0.357441005679
            0.366614719335         0.489703082908
            0.096054466731         0.372037982775
   2 1 1   4 1
            0.765700233873        -0.425644550639
            0.439431720303         0.527304867358
            0.153128431314         0.677463338153
            0.052201520981         0.114327532454
   3 2 2   2 1
            0.189750250411         0.982926661437
            0.183577052216         0.084061834185
#
Te qavg-vSZPs-GTH-q6 qavg-vSZPs-UZH-q6 qavg-vSZPs-q6
  3
   1 0 0   4 1
            0.799656035738        -0.562742057582
            0.454763781620         0.136698207564
            0.324240760616         0.692554713288
            0.105790521897         0.408983143750
   2 1 1   4 1
            0.809020757214        -0.488702414208
            0.503551344010         0.585015569619
            0.175067269874         0.613929290647
            0.066196153055         0.162069274636
   3 2 2   2 1
            0.187808183780         1.000246311298
            0.028427868921         0.160010444992
#
Te qavg-vSZPs-GTH-q16 qavg-vSZPs-UZH-q16 qavg-vSZPs-q16
  3
   1 0 0   4 1
            0.799656035738        -0.562742057582
            0.454763781620         0.136698207564
            0.324240760616         0.692554713288
            0.105790521897         0.408983143750
   2 1 1   4 1
            0.809020757214        -0.488702414208
            0.503551344010         0.585015569619
            0.175067269874         0.613929290647
            0.066196153055         0.162069274636
   3 2 2   2 1
            0.187808183780         1.000246311298
            0.028427868921         0.160010444992
#
Te qavg-vSZPs-GTH-q24 qavg-vSZPs-UZH-q24 qavg-vSZPs-q24
  3
   1 0 0   4 1
            0.799656035738        -0.562742057582
            0.454763781620         0.136698207564
            0.324240760616         0.692554713288
            0.105790521897         0.408983143750
   2 1 1   4 1
            0.809020757214        -0.488702414208
            0.503551344010         0.585015569619
            0.175067269874         0.613929290647
            0.066196153055         0.162069274636
   3 2 2   2 1
            0.187808183780         1.000246311298
            0.028427868921         0.160010444992
#
I qavg-vSZPs-GTH-q7 qavg-vSZPs-UZH-q7 qavg-vSZPs-q7
  3
   1 0 0   4 1
            2.539748656860         0.300465841167
            1.648499440334        -0.632409230262
            0.303299221548         0.622569143001
            0.121657635837         0.345022579663
   2 1 1   4 1
            0.915471660957        -0.556432048523
            0.685667913333         0.611751728159
            0.212021157855         0.506711379889
            0.084649382212         0.209583459706
   3 2 2   2 1
            0.256213273661         0.912239436440
            0.165690818410         0.461262306755
#
I qavg-vSZPs-GTH-q17 qavg-vSZPs-UZH-q17 qavg-vSZPs-q17
  3
   1 0 0   4 1
            2.539748656860         0.300465841167
            1.648499440334        -0.632409230262
            0.303299221548         0.622569143001
            0.121657635837         0.345022579663
   2 1 1   4 1
            0.915471660957        -0.556432048523
            0.685667913333         0.611751728159
            0.212021157855         0.506711379889
            0.084649382212         0.209583459706
   3 2 2   2 1
            0.256213273661         0.912239436440
            0.165690818410         0.461262306755
#
I qavg-vSZPs-GTH-q25 qavg-vSZPs-UZH-q25 qavg-vSZPs-q25
  3
   1 0 0   4 1
            2.539748656860         0.300465841167
            1.648499440334        -0.632409230262
            0.303299221548         0.622569143001
            0.121657635837         0.345022579663
   2 1 1   4 1
            0.915471660957        -0.556432048523
            0.685667913333         0.611751728159
            0.212021157855         0.506711379889
            0.084649382212         0.209583459706
   3 2 2   2 1
            0.256213273661         0.912239436440
            0.165690818410         0.461262306755
#
Xe qavg-vSZPs-GTH-q8 qavg-vSZPs-UZH-q8 qavg-vSZPs-q8
  3
   1 0 0   4 1
            0.884582750100        -0.594068843798
            0.429399585500         0.635308969585
            0.210187016700         0.487203424206
            0.084426833800         0.073197819834
   2 1 1   4 1
            0.955338484500        -0.625628230488
            0.792794507000         0.680061477108
            0.234748385000         0.352641199992
            0.098258971500         0.102463159412
   3 2 2   2 1
            0.248954215200         0.838764505642
            0.069005311200         0.416343242385
#
Xe qavg-vSZPs-GTH-q18 qavg-vSZPs-UZH-q18 qavg-vSZPs-q18
  3
   1 0 0   4 1
            0.884582750100        -0.594068843798
            0.429399585500         0.635308969585
            0.210187016700         0.487203424206
            0.084426833800         0.073197819834
   2 1 1   4 1
            0.955338484500        -0.625628230488
            0.792794507000         0.680061477108
            0.234748385000         0.352641199992
            0.098258971500         0.102463159412
   3 2 2   2 1
            0.248954215200         0.838764505642
            0.069005311200         0.416343242385
#
Xe qavg-vSZPs-GTH-q26 qavg-vSZPs-UZH-q26 qavg-vSZPs-q26
  3
   1 0 0   4 1
            0.884582750100        -0.594068843798
            0.429399585500         0.635308969585
            0.210187016700         0.487203424206
            0.084426833800         0.073197819834
   2 1 1   4 1
            0.955338484500        -0.625628230488
            0.792794507000         0.680061477108
            0.234748385000         0.352641199992
            0.098258971500         0.102463159412
   3 2 2   2 1
            0.248954215200         0.838764505642
            0.069005311200         0.416343242385
#
Cs qavg-vSZPs-GTH-q1 qavg-vSZPs-UZH-q1 qavg-vSZPs-q1
  3
   1 0 0   4 1
            0.348886016700         0.558909650066
            0.291984597000        -0.721472663690
            0.023505650500         0.393002682008
            0.021227823900        -0.130611627934
   2 1 1   3 1
            0.121114670300        -0.308962826435
            0.090376832900         0.189628784705
            0.021432291300         0.418955088780
   3 2 2   1 1
            0.071371286820         1.000000000000
#
Cs qavg-vSZPs-GTH-q9 qavg-vSZPs-UZH-q9 qavg-vSZPs-q9
  3
   1 0 0   4 1
            0.348886016700         0.558909650066
            0.291984597000        -0.721472663690
            0.023505650500         0.393002682008
            0.021227823900        -0.130611627934
   2 1 1   3 1
            0.121114670300        -0.308962826435
            0.090376832900         0.189628784705
            0.021432291300         0.418955088780
   3 2 2   1 1
            0.071371286820         1.000000000000
#
Ba qavg-vSZPs-GTH-q2 qavg-vSZPs-UZH-q2 qavg-vSZPs-q2
  3
   1 0 0   4 1
            0.411348556512         0.474681138447
            0.339130280962        -0.645558893362
            0.035056206115         0.561577126799
            0.025155131224        -0.263565655098
   2 1 1   3 1
            0.129169933859        -0.665976886341
            0.102460964711         0.597513395744
            0.025963780812         0.131802068706
   3 2 2   1 1
            0.191944631434         1.000000000000
#
Ba qavg-vSZPs-GTH-q10 qavg-vSZPs-UZH-q10 qavg-vSZPs-q10
  3
   1 0 0   4 1
            0.411348556512         0.474681138447
            0.339130280962        -0.645558893362
            0.035056206115         0.561577126799
            0.025155131224        -0.263565655098
   2 1 1   3 1
            0.129169933859        -0.665976886341
            0.102460964711         0.597513395744
            0.025963780812         0.131802068706
   3 2 2   1 1
            0.191944631434         1.000000000000
#
La qavg-vSZPs-GTH-q11 qavg-vSZPs-UZH-q11 qavg-vSZPs-q11
  3
   1 0 0   4 1
            0.510447541004         0.073342965620
            0.232568991657        -0.508450352357
            0.093461369063         0.332510208177
            0.036881509530         0.018895127757
   2 1 1   2 1
            0.185878523485        -0.318180419305
            0.065415528843         0.199958311512
   3 2 2   4 1
            3.457127555562        -0.013807439673
            0.429709520935         0.525124064555
            0.174798868880         0.580619039822
            0.069780167371         0.148642584976
#
Hf qavg-vSZPs-GTH-q12 qavg-vSZPs-UZH-q12 qavg-vSZPs-q12
  3
   1 0 0   4 1
            0.724514793619         0.111046077754
            0.433429726025        -0.477009688688
            0.112921100437         0.587319808481
            0.037983414036         0.224018311038
   2 1 1   2 1
            0.462647522128        -0.106538736641
            0.083340618281         0.497291888140
   3 2 2   4 1
            7.192840361706        -0.011652403011
            0.895852760330         0.422171712606
            0.308172842792         0.712345792990
            0.097876721645         0.323133623996
#
Ta qavg-vSZPs-GTH-q5 qavg-vSZPs-UZH-q5 qavg-vSZPs-q5
  3
   1 0 0   4 1
            0.491688555314        -0.932480925231
            0.544421204664         0.672710834284
            0.145856926284         0.391817169652
            0.039254018382         0.045875316266
   2 1 1   2 1
            0.416518710018        -0.257612345589
            0.103483422093         0.923721038230
   3 2 2   4 1
            6.748241543501        -0.021510356403
            0.962005182672         0.631656210633
            0.338464077394         0.973648761187
            0.109300172147         0.367716503380
#
Ta qavg-vSZPs-GTH-q13 qavg-vSZPs-UZH-q13 qavg-vSZPs-q13
  3
   1 0 0   4 1
            0.491688555314        -0.932480925231
            0.544421204664         0.672710834284
            0.145856926284         0.391817169652
            0.039254018382         0.045875316266
   2 1 1   2 1
            0.416518710018        -0.257612345589
            0.103483422093         0.923721038230
   3 2 2   4 1
            6.748241543501        -0.021510356403
            0.962005182672         0.631656210633
            0.338464077394         0.973648761187
            0.109300172147         0.367716503380
#
W qavg-vSZPs-GTH-q6 qavg-vSZPs-UZH-q6 qavg-vSZPs-q6
  3
   1 0 0   4 1
            0.364746405553        -0.581110381976
            0.199690056894         0.309415057709
            0.135478697775         0.530423686853
            0.039140964524         0.128894964341
   2 1 1   2 1
            0.530073393259        -0.152531372437
            0.102967904348         0.489708176540
   3 2 2   4 1
            7.461981275553        -0.017020915278
            1.067419265643         0.510814794868
            0.405361467941         0.745983681405
            0.142448059195         0.390393722036
#
W qavg-vSZPs-GTH-q14 qavg-vSZPs-UZH-q14 qavg-vSZPs-q14
  3
   1 0 0   4 1
            0.364746405553        -0.581110381976
            0.199690056894         0.309415057709
            0.135478697775         0.530423686853
            0.039140964524         0.128894964341
   2 1 1   2 1
            0.530073393259        -0.152531372437
            0.102967904348         0.489708176540
   3 2 2   4 1
            7.461981275553        -0.017020915278
            1.067419265643         0.510814794868
            0.405361467941         0.745983681405
            0.142448059195         0.390393722036
#
Re qavg-vSZPs-GTH-q7 qavg-vSZPs-UZH-q7 qavg-vSZPs-q7
  3
   1 0 0   4 1
            0.426290755363        -0.455658491559
            0.144489428907         0.696091902278
            0.050945459317         0.156383367882
            0.052588323052        -0.015576260261
   2 1 1   2 1
            0.529246054286        -0.134621194020
            0.108334047068         0.344688711514
   3 2 2   4 1
            7.123824932354        -0.022605482280
            1.175104961996         0.517818301477
            0.465541980220         0.736929346798
            0.165173635334         0.401882999109
#
Re qavg-vSZPs-GTH-q15 qavg-vSZPs-UZH-q15 qavg-vSZPs-q15
  3
   1 0 0   4 1
            0.426290755363        -0.455658491559
            0.144489428907         0.696091902278
            0.050945459317         0.156383367882
            0.052588323052        -0.015576260261
   2 1 1   2 1
            0.529246054286        -0.134621194020
            0.108334047068         0.344688711514
   3 2 2   4 1
            7.123824932354        -0.022605482280
            1.175104961996         0.517818301477
            0.465541980220         0.736929346798
            0.165173635334         0.401882999109
#
Os qavg-vSZPs-GTH-q8 qavg-vSZPs-UZH-q8 qavg-vSZPs-q8
  3
   1 0 0   4 1
            0.439894413539        -0.457795240072
            0.146349067967         0.812279970723
            0.056562029830         0.302231368738
            0.021358048891         0.039825823716
   2 1 1   2 1
            0.581303228620        -0.179421073992
            0.113364293246         0.768540254552
   3 2 2   4 1
            7.124162412998        -0.026335217924
            1.226564310695         0.570378268620
            0.465273805235         0.738861869593
            0.159391248677         0.343003156814
#
Os qavg-vSZPs-GTH-q16 qavg-vSZPs-UZH-q16 qavg-vSZPs-q16
  3
   1 0 0   4 1
            0.439894413539        -0.457795240072
            0.146349067967         0.812279970723
            0.056562029830         0.302231368738
            0.021358048891         0.039825823716
   2 1 1   2 1
            0.581303228620        -0.179421073992
            0.113364293246         0.768540254552
   3 2 2   4 1
            7.124162412998        -0.026335217924
            1.226564310695         0.570378268620
            0.465273805235         0.738861869593
            0.159391248677         0.343003156814
#
Ir qavg-vSZPs-GTH-q9 qavg-vSZPs-UZH-q9 qavg-vSZPs-q9
  3
   1 0 0   4 1
            0.452586635668        -0.561645878343
            0.230872947104         0.554010430908
            0.095643290078         0.384141523646
            0.048719874387         0.077899583310
   2 1 1   2 1
            0.570096493393        -0.168481842724
            0.123672801460         0.693813554395
   3 2 2   4 1
            8.960840082824        -0.018139240354
            1.248790077019         0.620126260667
            0.453015919045         0.714775970468
            0.151069752913         0.243437406994
#
Ir qavg-vSZPs-GTH-q17 qavg-vSZPs-UZH-q17 qavg-vSZPs-q17
  3
   1 0 0   4 1
            0.452586635668        -0.561645878343
            0.230872947104         0.554010430908
            0.095643290078         0.384141523646
            0.048719874387         0.077899583310
   2 1 1   2 1
            0.570096493393        -0.168481842724
            0.123672801460         0.693813554395
   3 2 2   4 1
            8.960840082824        -0.018139240354
            1.248790077019         0.620126260667
            0.453015919045         0.714775970468
            0.151069752913         0.243437406994
#
Pt qavg-vSZPs-GTH-q10 qavg-vSZPs-UZH-q10 qavg-vSZPs-q10
  3
   1 0 0   4 1
            0.516588549664        -0.401989785772
            0.126319629855         0.879190938820
            0.154350538167         0.036332112893
            0.033427992396         0.289020598047
   2 1 1   2 1
            0.669829462066        -0.143629457422
            0.096454257547         0.975656535530
   3 2 2   4 1
            8.789126032648        -0.022390325566
            1.358170042681         0.614083198661
            0.512240862024         0.697050820036
            0.167953114938         0.328064148838
#
Pt qavg-vSZPs-GTH-q18 qavg-vSZPs-UZH-q18 qavg-vSZPs-q18
  3
   1 0 0   4 1
            0.516588549664        -0.401989785772
            0.126319629855         0.879190938820
            0.154350538167         0.036332112893
            0.033427992396         0.289020598047
   2 1 1   2 1
            0.669829462066        -0.143629457422
            0.096454257547         0.975656535530
   3 2 2   4 1
            8.789126032648        -0.022390325566
            1.358170042681         0.614083198661
            0.512240862024         0.697050820036
            0.167953114938         0.328064148838
#
Au qavg-vSZPs-GTH-q1 qavg-vSZPs-UZH-q1 qavg-vSZPs-q1
  3
   1 0 0   4 1
            0.477643759529        -0.516525225657
            0.204863835498         0.691189445139
            0.096300536632         0.091455550911
            0.052053997095         0.302746280797
   2 1 1   2 1
            0.689054777792        -0.148193411880
            0.113787074292         0.739673758026
   3 2 2   4 1
            9.149086219652        -0.023575497192
            1.445217477263         0.634297508013
            0.562445713004         0.679453691997
            0.198449186775         0.320660862666
#
Au qavg-vSZPs-GTH-q11 qavg-vSZPs-UZH-q11 qavg-vSZPs-q11
  3
   1 0 0   4 1
            0.477643759529        -0.516525225657
            0.204863835498         0.691189445139
            0.096300536632         0.091455550911
            0.052053997095         0.302746280797
   2 1 1   2 1
            0.689054777792        -0.148193411880
            0.113787074292         0.739673758026
   3 2 2   4 1
            9.149086219652        -0.023575497192
            1.445217477263         0.634297508013
            0.562445713004         0.679453691997
            0.198449186775         0.320660862666
#
Au qavg-vSZPs-GTH-q19 qavg-vSZPs-UZH-q19 qavg-vSZPs-q19
  3
   1 0 0   4 1
            0.477643759529        -0.516525225657
            0.204863835498         0.691189445139
            0.096300536632         0.091455550911
            0.052053997095         0.302746280797
   2 1 1   2 1
            0.689054777792        -0.148193411880
            0.113787074292         0.739673758026
   3 2 2   4 1
            9.149086219652        -0.023575497192
            1.445217477263         0.634297508013
            0.562445713004         0.679453691997
            0.198449186775         0.320660862666
#
Hg qavg-vSZPs-GTH-q2 qavg-vSZPs-UZH-q2 qavg-vSZPs-q2
  3
   1 0 0   4 1
            0.474833146324        -0.561383751237
            1.010267655578         0.040073354058
            0.251059805596         0.618619435317
            0.068345270225         0.291059528921
   2 1 1   2 1
            0.718865803192        -0.105509104466
            0.114766392863         0.635971388566
   3 2 2   2 1
            0.065791421595         0.450501548692
            0.035222071474         0.836031605704
#
Hg qavg-vSZPs-GTH-q12 qavg-vSZPs-UZH-q12 qavg-vSZPs-q12
  3
   1 0 0   4 1
            0.474833146324        -0.561383751237
            1.010267655578         0.040073354058
            0.251059805596         0.618619435317
            0.068345270225         0.291059528921
   2 1 1   2 1
            0.718865803192        -0.105509104466
            0.114766392863         0.635971388566
   3 2 2   2 1
            0.065791421595         0.450501548692
            0.035222071474         0.836031605704
#
Hg qavg-vSZPs-GTH-q20 qavg-vSZPs-UZH-q20 qavg-vSZPs-q20
  3
   1 0 0   4 1
            0.474833146324        -0.561383751237
            1.010267655578         0.040073354058
            0.251059805596         0.618619435317
            0.068345270225         0.291059528921
   2 1 1   2 1
            0.718865803192        -0.105509104466
            0.114766392863         0.635971388566
   3 2 2   2 1
            0.065791421595         0.450501548692
            0.035222071474         0.836031605704
#
Tl qavg-vSZPs-GTH-q3 qavg-vSZPs-UZH-q3 qavg-vSZPs-q3
  3
   1 0 0   4 1
            0.400537835179        -0.633590099835
            0.295115477185         0.054154198373
            0.238046181118         0.763150050131
            0.054988365179         0.133336591330
   2 1 1   4 1
            1.187450524019         0.473273238563
            1.073445787348        -0.592898807762
            0.176860212257         0.430257585050
            0.058889585056         0.231067111138
   3 2 2   2 1
            0.663831903366         0.084988196347
            0.090849096761         0.949636558910
#
Tl qavg-vSZPs-GTH-q13 qavg-vSZPs-UZH-q13 qavg-vSZPs-q13
  3
   1 0 0   4 1
            0.400537835179        -0.633590099835
            0.295115477185         0.054154198373
            0.238046181118         0.763150050131
            0.054988365179         0.133336591330
   2 1 1   4 1
            1.187450524019         0.473273238563
            1.073445787348        -0.592898807762
            0.176860212257         0.430257585050
            0.058889585056         0.231067111138
   3 2 2   2 1
            0.663831903366         0.084988196347
            0.090849096761         0.949636558910
#
Tl qavg-vSZPs-GTH-q21 qavg-vSZPs-UZH-q21 qavg-vSZPs-q21
  3
   1 0 0   4 1
            0.400537835179        -0.633590099835
            0.295115477185         0.054154198373
            0.238046181118         0.763150050131
            0.054988365179         0.133336591330
   2 1 1   4 1
            1.187450524019         0.473273238563
            1.073445787348        -0.592898807762
            0.176860212257         0.430257585050
            0.058889585056         0.231067111138
   3 2 2   2 1
            0.663831903366         0.084988196347
            0.090849096761         0.949636558910
#
Pb qavg-vSZPs-GTH-q4 qavg-vSZPs-UZH-q4 qavg-vSZPs-q4
  3
   1 0 0   4 1
            0.596124673518        -0.560475056952
            0.375495929469         0.172067357492
            0.223525467125         0.757340416278
            0.064546293775         0.243992205044
   2 1 1   4 1
            0.532767222561        -0.436116136494
            0.267086025369         0.722811821942
            0.078799266423         0.492389911210
            0.058184409798        -0.048126832526
   3 2 2   2 1
            0.230184776462         0.334827593505
            0.092183490038         0.965058534851
#
Pb qavg-vSZPs-GTH-q14 qavg-vSZPs-UZH-q14 qavg-vSZPs-q14
  3
   1 0 0   4 1
            0.596124673518        -0.560475056952
            0.375495929469         0.172067357492
            0.223525467125         0.757340416278
            0.064546293775         0.243992205044
   2 1 1   4 1
            0.532767222561        -0.436116136494
            0.267086025369         0.722811821942
            0.078799266423         0.492389911210
            0.058184409798        -0.048126832526
   3 2 2   2 1
            0.230184776462         0.334827593505
            0.092183490038         0.965058534851
#
Pb qavg-vSZPs-GTH-q22 qavg-vSZPs-UZH-q22 qavg-vSZPs-q22
  3
   1 0 0   4 1
            0.596124673518        -0.560475056952
            0.375495929469         0.172067357492
            0.223525467125         0.757340416278
            0.064546293775         0.243992205044
   2 1 1   4 1
            0.532767222561        -0.436116136494
            0.267086025369         0.722811821942
            0.078799266423         0.492389911210
            0.058184409798        -0.048126832526
   3 2 2   2 1
            0.230184776462         0.334827593505
            0.092183490038         0.965058534851
#
Bi qavg-vSZPs-GTH-q5 qavg-vSZPs-UZH-q5 qavg-vSZPs-q5
  3
   1 0 0   4 1
            0.866332590571        -0.419317344160
            0.401909906829         0.158385616082
            0.195677595218         0.890294359712
            0.062128757674         0.186669927942
   2 1 1   4 1
            0.653801970900        -0.399146307225
            0.318820143943         0.578145392645
            0.147985516875         0.461368294777
            0.062247321847         0.222925495587
   3 2 2   2 1
            0.109478278389         0.243969240735
            0.110990799135         0.939280920370
#
Bi qavg-vSZPs-GTH-q15 qavg-vSZPs-UZH-q15 qavg-vSZPs-q15
  3
   1 0 0   4 1
            0.866332590571        -0.419317344160
            0.401909906829         0.158385616082
            0.195677595218         0.890294359712
            0.062128757674         0.186669927942
   2 1 1   4 1
            0.653801970900        -0.399146307225
            0.318820143943         0.578145392645
            0.147985516875         0.461368294777
            0.062247321847         0.222925495587
   3 2 2   2 1
            0.109478278389         0.243969240735
            0.110990799135         0.939280920370
#
Bi qavg-vSZPs-GTH-q23 qavg-vSZPs-UZH-q23 qavg-vSZPs-q23
  3
   1 0 0   4 1
            0.866332590571        -0.419317344160
            0.401909906829         0.158385616082
            0.195677595218         0.890294359712
            0.062128757674         0.186669927942
   2 1 1   4 1
            0.653801970900        -0.399146307225
            0.318820143943         0.578145392645
            0.147985516875         0.461368294777
            0.062247321847         0.222925495587
   3 2 2   2 1
            0.109478278389         0.243969240735
            0.110990799135         0.939280920370
#
Po qavg-vSZPs-GTH-q6 qavg-vSZPs-UZH-q6 qavg-vSZPs-q6
  3
   1 0 0   4 1
            0.648393762285        -0.650375726163
            0.585300316302         0.116390661351
            0.370463199590         0.709356840860
            0.104393011288         0.217659023924
   2 1 1   4 1
            0.751171736245        -0.342810840468
            0.294423479099         0.771522537305
            0.134863049801         0.342482043434
            0.076589185879         0.259817311582
   3 2 2   2 1
            0.160404146887         1.032777952473
            0.037826241386         0.223379870926
#
Po qavg-vSZPs-GTH-q16 qavg-vSZPs-UZH-q16 qavg-vSZPs-q16
  3
   1 0 0   4 1
            0.648393762285        -0.650375726163
            0.585300316302         0.116390661351
            0.370463199590         0.709356840860
            0.104393011288         0.217659023924
   2 1 1   4 1
            0.751171736245        -0.342810840468
            0.294423479099         0.771522537305
            0.134863049801         0.342482043434
            0.076589185879         0.259817311582
   3 2 2   2 1
            0.160404146887         1.032777952473
            0.037826241386         0.223379870926
#
Po qavg-vSZPs-GTH-q24 qavg-vSZPs-UZH-q24 qavg-vSZPs-q24
  3
   1 0 0   4 1
            0.648393762285        -0.650375726163
            0.585300316302         0.116390661351
            0.370463199590         0.709356840860
            0.104393011288         0.217659023924
   2 1 1   4 1
            0.751171736245        -0.342810840468
            0.294423479099         0.771522537305
            0.134863049801         0.342482043434
            0.076589185879         0.259817311582
   3 2 2   2 1
            0.160404146887         1.032777952473
            0.037826241386         0.223379870926
#
At qavg-vSZPs-GTH-q7 qavg-vSZPs-UZH-q7 qavg-vSZPs-q7
  3
   1 0 0   4 1
            0.697731312967        -0.480292196868
            0.505536138465         0.081505251906
            0.410489983452         0.492632960452
            0.130144901699         0.238521985864
   2 1 1   4 1
            0.948554952553        -0.291532044876
            0.326876027982         0.781843724497
            0.141714404391         0.707546264300
            0.076012173239         0.285661272273
   3 2 2   2 1
            0.180642786046         0.338699113913
            0.161202104918         0.904270883819
#
At qavg-vSZPs-GTH-q17 qavg-vSZPs-UZH-q17 qavg-vSZPs-q17
  3
   1 0 0   4 1
            0.697731312967        -0.480292196868
            0.505536138465         0.081505251906
            0.410489983452         0.492632960452
            0.130144901699         0.238521985864
   2 1 1   4 1
            0.948554952553        -0.291532044876
            0.326876027982         0.781843724497
            0.141714404391         0.707546264300
            0.076012173239         0.285661272273
   3 2 2   2 1
            0.180642786046         0.338699113913
            0.161202104918         0.904270883819
#
At qavg-vSZPs-GTH-q25 qavg-vSZPs-UZH-q25 qavg-vSZPs-q25
  3
   1 0 0   4 1
            0.697731312967        -0.480292196868
            0.505536138465         0.081505251906
            0.410489983452         0.492632960452
            0.130144901699         0.238521985864
   2 1 1   4 1
            0.948554952553        -0.291532044876
            0.326876027982         0.781843724497
            0.141714404391         0.707546264300
            0.076012173239         0.285661272273
   3 2 2   2 1
            0.180642786046         0.338699113913
            0.161202104918         0.904270883819
#
Rn qavg-vSZPs-GTH-q8 qavg-vSZPs-UZH-q8 qavg-vSZPs-q8
  3
   1 0 0   4 1
            0.884470285879        -0.363627748852
            0.289158215874         0.707586800188
            0.251356999318         0.082104507948
            0.045166012970         0.028283744547
   2 1 1   4 1
            0.949409144847        -0.386209178731
            0.477802585211         0.563657828761
            0.203857776873         1.117211842433
            0.080527466065         0.252067811774
   3 2 2   2 1
            0.231967256811         0.214219640384
            0.082192037922         0.472541952724
#
Rn qavg-vSZPs-GTH-q18 qavg-vSZPs-UZH-q18 qavg-vSZPs-q18
  3
   1 0 0   4 1
            0.884470285879        -0.363627748852
            0.289158215874         0.707586800188
            0.251356999318         0.082104507948
            0.045166012970         0.028283744547
   2 1 1   4 1
            0.949409144847        -0.386209178731
            0.477802585211         0.563657828761
            0.203857776873         1.117211842433
            0.080527466065         0.252067811774
   3 2 2   2 1
            0.231967256811         0.214219640384
            0.082192037922         0.472541952724
#
Rn qavg-vSZPs-GTH-q26 qavg-vSZPs-UZH-q26 qavg-vSZPs-q26
  3
   1 0 0   4 1
            0.884470285879        -0.363627748852
            0.289158215874         0.707586800188
            0.251356999318         0.082104507948
            0.045166012970         0.028283744547
   2 1 1   4 1
            0.949409144847        -0.386209178731
            0.477802585211         0.563657828761
            0.203857776873         1.117211842433
            0.080527466065         0.252067811774
   3 2 2   2 1
            0.231967256811         0.214219640384
            0.082192037922         0.472541952724
#

# ---- q-vSZPs orbital basis for UZH GTH potentials ----
H qvSZPs-GTH-q1 q-vSZPs-GTH-q1 qvSZPs-UZH-q1 q-vSZPs-UZH-q1 qvSZPs-q1 q-vSZPs-q1
  2
   1 0 0   8 1
          296.062976609000         0.001094938603
           47.978093558000         0.007232673808
           11.938852410600         0.033900496668
            3.458916403100         0.139134792278
            1.126993134100         0.383006536036
            0.467753590700         0.546768440772
            0.209889335600         0.570047999661
            0.074195636100         0.456983915533
   2 1 1   3 1
            1.921229682200         0.225534169439
            0.614558468300         0.529137040880
            0.227306166800         0.818014871737
#
He qvSZPs-GTH-q2 q-vSZPs-GTH-q2 qvSZPs-UZH-q2 q-vSZPs-UZH-q2 qvSZPs-q2 q-vSZPs-q2
  2
   1 0 0   8 1
          325.319388983700         0.002854629407
           53.852944329000         0.019444871584
           13.050830973500         0.090646655244
            3.871360218800         0.290683649126
            1.210839170400         0.614426575252
            0.453342411400         0.613780870198
            0.247529831900         0.048534830589
            0.200284313400         0.387682015711
   2 1 1   2 1
            0.661399361800         0.081445557271
            0.142916697800         0.996677792068
#
Li qvSZPs-GTH-q1 q-vSZPs-GTH-q1 qvSZPs-UZH-q1 q-vSZPs-UZH-q1 qvSZPs-q1 q-vSZPs-q1
  3
   1 0 0   5 1
            3.704307690700         0.009014631583
            0.563748612300        -0.174365082841
            0.145535085700         0.011531255465
            0.068660844900         0.477879489522
            0.029501019900         0.860821571491
   2 1 1   4 1
            1.743786754000         0.039191798092
            0.473088072800         0.081329955105
            0.157043664200         0.401097346159
            0.059977355400         0.911575756736
   3 2 2   2 1
            0.383006765900        -0.022316556162
            0.095503585800         0.999750954649
#
Li qvSZPs-GTH-q3 q-vSZPs-GTH-q3 qvSZPs-UZH-q3 q-vSZPs-UZH-q3 qvSZPs-q3 q-vSZPs-q3
  3
   1 0 0   5 1
            3.704307690700         0.009014631583
            0.563748612300        -0.174365082841
            0.145535085700         0.011531255465
            0.068660844900         0.477879489522
            0.029501019900         0.860821571491
   2 1 1   4 1
            1.743786754000         0.039191798092
            0.473088072800         0.081329955105
            0.157043664200         0.401097346159
            0.059977355400         0.911575756736
   3 2 2   2 1
            0.383006765900        -0.022316556162
            0.095503585800         0.999750954649
#
Be qvSZPs-GTH-q2 q-vSZPs-GTH-q2 qvSZPs-UZH-q2 q-vSZPs-UZH-q2 qvSZPs-q2 q-vSZPs-q2
  3
   1 0 0   6 1
            7.407769419900         0.010709343314
            1.235543804000        -0.245600830093
            0.443304867000         0.067262101177
            0.178837597400         0.637713588792
            0.062682628200         0.726732405285
            0.019423969500         0.014924535089
   2 1 1   4 1
            2.765507512100         0.053812959774
            0.656515983000         0.227558513557
            0.214291231600         0.527995660647
            0.060518154000         0.816420155683
   3 2 2   2 1
            0.460161450400         0.275646854871
            0.090867588400         0.961258972077
#
Be qvSZPs-GTH-q4 q-vSZPs-GTH-q4 qvSZPs-UZH-q4 q-vSZPs-UZH-q4 qvSZPs-q4 q-vSZPs-q4
  3
   1 0 0   6 1
            7.407769419900         0.010709343314
            1.235543804000        -0.245600830093
            0.443304867000         0.067262101177
            0.178837597400         0.637713588792
            0.062682628200         0.726732405285
            0.019423969500         0.014924535089
   2 1 1   4 1
            2.765507512100         0.053812959774
            0.656515983000         0.227558513557
            0.214291231600         0.527995660647
            0.060518154000         0.816420155683
   3 2 2   2 1
            0.460161450400         0.275646854871
            0.090867588400         0.961258972077
#
B qvSZPs-GTH-q3 q-vSZPs-GTH-q3 qvSZPs-UZH-q3 q-vSZPs-UZH-q3 qvSZPs-q3 q-vSZPs-q3
  3
   1 0 0   6 1
            1.543913135600        -0.558205969785
            1.208982424900         0.431174832550
            0.305844214700         0.553133516690
            0.116024970300         0.415859407822
            0.068223593600         0.098425354931
            0.050226893500         0.117945217026
   2 1 1   5 1
            8.976901062800         0.021752739949
            2.365798048300         0.123294941608
            0.694366643200         0.483543940070
            0.232848456100         0.608603853341
            0.076186266700         0.616532061939
   3 2 2   2 1
            0.691389992300         0.362707867328
            0.162923545500         0.931902893535
#
C qvSZPs-GTH-q4 q-vSZPs-GTH-q4 qvSZPs-UZH-q4 q-vSZPs-UZH-q4 qvSZPs-q4 q-vSZPs-q4
  3
   1 0 0   6 1
            2.196943561700        -0.644476888454
            1.924970150000         0.554128761846
            0.501852765400         0.366293040630
            0.196630894300         0.353152879529
            0.137769088300         0.035881198403
            0.076256610200         0.131969114611
   2 1 1   6 1
           22.529456641400         0.009073459801
            6.153309964400         0.069443879406
            2.167863133900         0.221813287119
            0.772385089700         0.560176223748
            0.280651266700         0.554096822347
            0.095436788400         0.570152080949
   3 2 2   3 1
            2.719406803000         0.092714297910
            0.718581538000         0.434577927946
            0.171745376400         0.895849364294
#
N qvSZPs-GTH-q5 q-vSZPs-GTH-q5 qvSZPs-UZH-q5 q-vSZPs-UZH-q5 qvSZPs-q5 q-vSZPs-q5
  3
   1 0 0   6 1
            2.698695445800        -0.630237097246
            2.250403115300         0.595083342343
            0.617117799100         0.387689276928
            0.311679358000         0.268937754320
            0.163803151600         0.141983331610
            0.067531417400         0.076728477906
   2 1 1   6 1
           27.228763724000         0.016870235701
            7.060676073900         0.116234236409
            2.348363813500         0.344018434628
            0.848578033300         0.656228517952
            0.298679964900         0.612833542649
            0.090929653600         0.248305246220
   3 2 2   3 1
            1.944851650900         0.220675070107
            0.650462622800         0.655940629721
            0.184031394500         0.721834055524
#
O qvSZPs-GTH-q6 q-vSZPs-GTH-q6 qvSZPs-UZH-q6 q-vSZPs-UZH-q6 qvSZPs-q6 q-vSZPs-q6
  3
   1 0 0   6 1
            3.496289378600        -0.598646143005
            2.828897466900         0.592890306291
            0.724912092600         0.472083084600
            0.336116361200         0.210070160881
            0.238742676200         0.127427196509
            0.098562533900         0.082911268850
   2 1 1   6 1
           37.305012350500         0.017945364648
            9.614296908300         0.118990846318
            3.082751075000         0.358341532926
            1.093105544700         0.624238309996
            0.384058023500         0.622792822938
            0.121250702500         0.282074671304
   3 2 2   3 1
            3.450570634300         0.144809570395
            0.908818852500         0.785119884532
            0.276666331400         0.602176847142
#
F qvSZPs-GTH-q7 q-vSZPs-GTH-q7 qvSZPs-UZH-q7 q-vSZPs-UZH-q7 qvSZPs-q7 q-vSZPs-q7
  3
   1 0 0   6 1
            6.822960676000        -0.480192827319
            5.190441242900         0.299808567014
            1.369234679100         0.526105118424
            0.701609114800         0.363522036144
            0.425957412500         0.496347581452
            0.160575139500         0.155672360192
   2 1 1   6 1
           53.696723784900         0.017469948330
           14.889396712400         0.101103389549
            4.749584307800         0.307072470998
            1.689824464700         0.582900766060
            0.568811179300         0.675611766051
            0.178079071400         0.314570884829
   3 2 2   2 1
            2.036386372600         0.304079055586
            0.602663109800         0.952646801261
#
Ne qvSZPs-GTH-q8 q-vSZPs-GTH-q8 qvSZPs-UZH-q8 q-vSZPs-UZH-q8 qvSZPs-q8 q-vSZPs-q8
  3
   1 0 0   6 1
            8.836211599500        -0.435798474664
            7.489627979800         0.281699220935
            1.752358108100         0.515384476846
            0.693161411400         0.656802487579
            0.310835666600         0.173873194713
            0.174849323900         0.059014268631
   2 1 1   6 1
           71.475244035200         0.014648498955
           18.515749126300         0.103455634903
            6.035115860000         0.310192758741
            2.160710977400         0.583003927036
            0.733997386800         0.667919726218
            0.235563632200         0.326882954434
   3 2 2   2 1
            1.832390159200         0.211705215052
            0.435390470700         0.977333567376
#
Na qvSZPs-GTH-q1 q-vSZPs-GTH-q1 qvSZPs-UZH-q1 q-vSZPs-UZH-q1 qvSZPs-q1 q-vSZPs-q1
  3
   1 0 0   4 1
            2.204956680100         0.016954649552
            0.537805889000        -0.249854027575
            0.071584441100         0.389377118584
            0.027562896700         0.886380823510
   2 1 1   4 1
            0.424813610100        -0.103149102342
            0.258131695400         0.086215196875
            0.080076222800         0.346498286648
            0.023663303000         0.928367459503
   3 2 2   2 1
            0.405819002800         0.098463300080
            0.097666096900         0.995140682787
#
Na qvSZPs-GTH-q9 q-vSZPs-GTH-q9 qvSZPs-UZH-q9 q-vSZPs-UZH-q9 qvSZPs-q9 q-vSZPs-q9
  3
   1 0 0   4 1
            2.204956680100         0.016954649552
            0.537805889000        -0.249854027575
            0.071584441100         0.389377118584
            0.027562896700         0.886380823510
   2 1 1   4 1
            0.424813610100        -0.103149102342
            0.258131695400         0.086215196875
            0.080076222800         0.346498286648
            0.023663303000         0.928367459503
   3 2 2   2 1
            0.405819002800         0.098463300080
            0.097666096900         0.995140682787
#
Mg qvSZPs-GTH-q2 q-vSZPs-GTH-q2 qvSZPs-UZH-q2 q-vSZPs-UZH-q2 qvSZPs-q2 q-vSZPs-q2
  3
   1 0 0   4 1
            2.633483688300         0.026568004925
            0.790889087400        -0.278777638501
            0.130398930100         0.518689926657
            0.051771832900         0.807798198420
   2 1 1   3 1
            0.851599586700        -0.043305182803
            0.172428010200         0.257231299858
            0.057667921800         0.965379054836
   3 2 2   2 1
            0.418609607700         0.036446661058
            0.100916037800         0.999335599735
#
Mg qvSZPs-GTH-q10 q-vSZPs-GTH-q10 qvSZPs-UZH-q10 q-vSZPs-UZH-q10 qvSZPs-q10 q-vSZPs-q10
  3
   1 0 0   4 1
            2.633483688300         0.026568004925
            0.790889087400        -0.278777638501
            0.130398930100         0.518689926657
            0.051771832900         0.807798198420
   2 1 1   3 1
            0.851599586700        -0.043305182803
            0.172428010200         0.257231299858
            0.057667921800         0.965379054836
   3 2 2   2 1
            0.418609607700         0.036446661058
            0.100916037800         0.999335599735
#
Al qvSZPs-GTH-q3 q-vSZPs-GTH-q3 qvSZPs-UZH-q3 q-vSZPs-UZH-q3 qvSZPs-q3 q-vSZPs-q3
  3
   1 0 0   5 1
            3.292219273900         0.039235653940
            1.040880081800        -0.353666366357
            0.371230840400         0.093698715904
            0.167601225600         0.685148372891
            0.064901427400         0.628627809224
   2 1 1   4 1
            0.883585948300        -0.136556632717
            0.407380507700         0.281526172259
            0.142416835800         0.590417796561
            0.054112069700         0.743977234798
   3 2 2   2 1
            0.505899567700         0.269905311717
            0.133075768800         0.962886869111
#
Si qvSZPs-GTH-q4 q-vSZPs-GTH-q4 qvSZPs-UZH-q4 q-vSZPs-UZH-q4 qvSZPs-q4 q-vSZPs-q4
  3
   1 0 0   6 1
            4.248465912400         0.039689998645
            1.325450262800        -0.386661148485
            0.307178029600         0.546055068668
            0.129284844700         0.694683049050
            0.096571945300         0.162728091060
            0.052415127900         0.204148847618
   2 1 1   4 1
            1.206574811800        -0.102311864671
            0.499656329800         0.312923121317
            0.188911649300         0.672985235022
            0.070108538100         0.662346039419
   3 2 2   2 1
            1.058905768900         0.153316945134
            0.287160827000         0.988177066287
#
P qvSZPs-GTH-q5 q-vSZPs-GTH-q5 qvSZPs-UZH-q5 q-vSZPs-UZH-q5 qvSZPs-q5 q-vSZPs-q5
  3
   1 0 0   5 1
            7.961124478200         0.029007169523
            1.458971223300        -0.384247469455
            0.434587147900         0.501054464707
            0.186532266900         0.739421734146
            0.066346664300         0.231759333800
   2 1 1   5 1
            1.171333739600        -0.180995702039
            0.771128609500         0.360176044932
            0.337609316500         0.626407529703
            0.160209704400         0.574600802595
            0.067195768600         0.339059429732
   3 2 2   2 1
            1.658061830500         0.221443316176
            0.364905987400         0.975173244978
#
S qvSZPs-GTH-q6 q-vSZPs-GTH-q6 qvSZPs-UZH-q6 q-vSZPs-UZH-q6 qvSZPs-q6 q-vSZPs-q6
  3
   1 0 0   5 1
            7.465198298800         0.041341580158
            1.932955335000        -0.403643182774
            0.520510097700         0.521614759214
            0.230275427600         0.727481296029
            0.086021046300         0.184532007110
   2 1 1   5 1
            1.637550269700        -0.251110559771
            1.136252169900         0.384479159707
            0.422396138900         0.644415568954
            0.186096838000         0.564547331449
            0.079461376300         0.234806617383
   3 2 2   2 1
            1.618198226800         0.266171379643
            0.373570045200         0.963925721547
#
Cl qvSZPs-GTH-q7 q-vSZPs-GTH-q7 qvSZPs-UZH-q7 q-vSZPs-UZH-q7 qvSZPs-q7 q-vSZPs-q7
  3
   1 0 0   5 1
           16.437969080300         0.019144675860
            2.131056149700        -0.394186839441
            0.701850451600         0.483675027785
            0.295051084600         0.748615701264
            0.111318131200         0.223345508834
   2 1 1   5 1
            2.685226209400        -0.142734616895
            1.633465824300         0.173387426471
            0.647154015400         0.604507675207
            0.263279872600         0.685213191656
            0.104096201100         0.338551299034
   3 2 2   2 1
            2.096502197800         0.257977410388
            0.485126735500         0.966150948729
#
Ar qvSZPs-GTH-q8 q-vSZPs-GTH-q8 qvSZPs-UZH-q8 q-vSZPs-UZH-q8 qvSZPs-q8 q-vSZPs-q8
  3
   1 0 0   5 1
           17.207782073300         0.008965761323
            2.281101885900        -0.599160935327
            1.747947880500         0.445562987253
            0.465467414700         0.626490824491
            0.168272878100         0.223402461762
   2 1 1   5 1
            3.232366472400        -0.082289098983
            1.126163176400         0.493201990881
            0.439879009700         0.764963417525
            0.233485431100         0.248953682360
            0.126667051500         0.320676369986
   3 2 2   2 1
            1.735046394100         0.314088492116
            0.363412067900         0.949393711334
#
K qvSZPs-GTH-q1 q-vSZPs-GTH-q1 qvSZPs-UZH-q1 q-vSZPs-UZH-q1 qvSZPs-q1 q-vSZPs-q1
  3
   1 0 0   4 1
            0.910515236600         0.059466080540
            0.303732208900        -0.377860031173
            0.044310882600         0.523186275154
            0.018324331800         0.761552167351
   2 1 1   3 1
            0.206976730900        -0.065163355065
            0.074199063600         0.236409099762
            0.024500032100         0.969466077130
   3 2 2   2 1
            0.594800023100         0.274111074449
            0.122583957000         0.961698039337
#
K qvSZPs-GTH-q9 q-vSZPs-GTH-q9 qvSZPs-UZH-q9 q-vSZPs-UZH-q9 qvSZPs-q9 q-vSZPs-q9
  3
   1 0 0   4 1
            0.910515236600         0.059466080540
            0.303732208900        -0.377860031173
            0.044310882600         0.523186275154
            0.018324331800         0.761552167351
   2 1 1   3 1
            0.206976730900        -0.065163355065
            0.074199063600         0.236409099762
            0.024500032100         0.969466077130
   3 2 2   2 1
            0.594800023100         0.274111074449
            0.122583957000         0.961698039337
#
Ca qvSZPs-GTH-q2 q-vSZPs-GTH-q2 qvSZPs-UZH-q2 q-vSZPs-UZH-q2 qvSZPs-q2 q-vSZPs-q2
  3
   1 0 0   4 1
            0.895118547700         0.097939362207
            0.461222060400        -0.321026534823
            0.051465849800         0.941791557767
            0.039263435400        -0.019455256101
   2 1 1   3 1
            0.347048065000        -0.035562720504
            0.083209458500         0.500315453154
            0.026426148400         0.865112559293
   3 2 2   2 1
            1.090479381600         0.323650729407
            0.211397929300         0.946176624819
#
Ca qvSZPs-GTH-q10 q-vSZPs-GTH-q10 qvSZPs-UZH-q10 q-vSZPs-UZH-q10 qvSZPs-q10 q-vSZPs-q10
  3
   1 0 0   4 1
            0.895118547700         0.097939362207
            0.461222060400        -0.321026534823
            0.051465849800         0.941791557767
            0.039263435400        -0.019455256101
   2 1 1   3 1
            0.347048065000        -0.035562720504
            0.083209458500         0.500315453154
            0.026426148400         0.865112559293
   3 2 2   2 1
            1.090479381600         0.323650729407
            0.211397929300         0.946176624819
#
Sc qvSZPs-GTH-q3 q-vSZPs-GTH-q3 qvSZPs-UZH-q3 q-vSZPs-UZH-q3 qvSZPs-q3 q-vSZPs-q3
  3
   1 0 0   5 1
            0.830670745100         0.080222190605
            0.465463418600        -0.379045915525
            0.157184270100         0.007600285601
            0.109532467500         0.358493674424
            0.040375205800         0.849301545457
   2 1 1   3 1
            0.452055379300        -0.128315317007
            0.157649980500         0.009168916001
            0.115901561000         0.991691035757
   3 2 2   6 1
           35.399393937900         0.011193188302
            9.223713012200         0.087287592413
            2.980209700200         0.289725692743
            1.060321312600         0.520489729478
            0.362047970100         0.552128118883
            0.125040920200         0.576679801586
#
Sc qvSZPs-GTH-q11 q-vSZPs-GTH-q11 qvSZPs-UZH-q11 q-vSZPs-UZH-q11 qvSZPs-q11 q-vSZPs-q11
  3
   1 0 0   5 1
            0.830670745100         0.080222190605
            0.465463418600        -0.379045915525
            0.157184270100         0.007600285601
            0.109532467500         0.358493674424
            0.040375205800         0.849301545457
   2 1 1   3 1
            0.452055379300        -0.128315317007
            0.157649980500         0.009168916001
            0.115901561000         0.991691035757
   3 2 2   6 1
           35.399393937900         0.011193188302
            9.223713012200         0.087287592413
            2.980209700200         0.289725692743
            1.060321312600         0.520489729478
            0.362047970100         0.552128118883
            0.125040920200         0.576679801586
#
Ti qvSZPs-GTH-q4 q-vSZPs-GTH-q4 qvSZPs-UZH-q4 q-vSZPs-UZH-q4 qvSZPs-q4 q-vSZPs-q4
  3
   1 0 0   5 1
            1.078730563100         0.049309902525
            0.522731865800        -0.352096593722
            0.265915693000         0.012329559162
            0.104945931100         0.430990097562
            0.042287260400         0.829271993966
   2 1 1   3 1
            0.579605635500        -0.089531758948
            0.116517293400         0.299415073659
            0.080487087300         0.949912984334
   3 2 2   6 1
           40.551039454900         0.012850308402
           10.930193675100         0.093227882630
            3.609427607800         0.310132044001
            1.309864093900         0.551487984803
            0.449349462100         0.590705786201
            0.145876765400         0.491822349557
#
Ti qvSZPs-GTH-q12 q-vSZPs-GTH-q12 qvSZPs-UZH-q12 q-vSZPs-UZH-q12 qvSZPs-q12 q-vSZPs-q12
  3
   1 0 0   5 1
            1.078730563100         0.049309902525
            0.522731865800        -0.352096593722
            0.265915693000         0.012329559162
            0.104945931100         0.430990097562
            0.042287260400         0.829271993966
   2 1 1   3 1
            0.579605635500        -0.089531758948
            0.116517293400         0.299415073659
            0.080487087300         0.949912984334
   3 2 2   6 1
           40.551039454900         0.012850308402
           10.930193675100         0.093227882630
            3.609427607800         0.310132044001
            1.309864093900         0.551487984803
            0.449349462100         0.590705786201
            0.145876765400         0.491822349557
#
V qvSZPs-GTH-q5 q-vSZPs-GTH-q5 qvSZPs-UZH-q5 q-vSZPs-UZH-q5 qvSZPs-q5 q-vSZPs-q5
  3
   1 0 0   5 1
            0.972292342600         0.065334281310
            0.554047715500        -0.394813715517
            0.261441862100         0.021994544666
            0.116104152100         0.575699237145
            0.038601578700         0.712699228343
   2 1 1   3 1
            0.750226039700        -0.122257354844
            0.133270413600         0.422597951623
            0.112105288300         0.898033468458
   3 2 2   6 1
           39.045155026000         0.019911522166
           11.036733318900         0.118758081967
            3.746602131500         0.371183399575
            1.365203199900         0.607251399126
            0.465929844900         0.592499968348
            0.152137375000         0.357648513068
#
V qvSZPs-GTH-q13 q-vSZPs-GTH-q13 qvSZPs-UZH-q13 q-vSZPs-UZH-q13 qvSZPs-q13 q-vSZPs-q13
  3
   1 0 0   5 1
            0.972292342600         0.065334281310
            0.554047715500        -0.394813715517
            0.261441862100         0.021994544666
            0.116104152100         0.575699237145
            0.038601578700         0.712699228343
   2 1 1   3 1
            0.750226039700        -0.122257354844
            0.133270413600         0.422597951623
            0.112105288300         0.898033468458
   3 2 2   6 1
           39.045155026000         0.019911522166
           11.036733318900         0.118758081967
            3.746602131500         0.371183399575
            1.365203199900         0.607251399126
            0.465929844900         0.592499968348
            0.152137375000         0.357648513068
#
Cr qvSZPs-GTH-q6 q-vSZPs-GTH-q6 qvSZPs-UZH-q6 q-vSZPs-UZH-q6 qvSZPs-q6 q-vSZPs-q6
  3
   1 0 0   5 1
            0.861398118600         0.114279307661
            0.608373740500        -0.416928994918
            0.243034250800         0.015387150763
            0.102546068900         0.708801192141
            0.027779309400         0.557202439557
   2 1 1   3 1
            0.809790472200        -0.080502135439
            0.117444764700         0.573197748516
            0.029478576500         0.815453093247
   3 2 2   6 1
           43.562471597900         0.021636168074
           12.003860098700         0.132652933634
            4.051866294300         0.397889519519
            1.465901759100         0.621330844329
            0.496579880400         0.612336624454
            0.152137375000         0.250221593640
#
Cr qvSZPs-GTH-q14 q-vSZPs-GTH-q14 qvSZPs-UZH-q14 q-vSZPs-UZH-q14 qvSZPs-q14 q-vSZPs-q14
  3
   1 0 0   5 1
            0.861398118600         0.114279307661
            0.608373740500        -0.416928994918
            0.243034250800         0.015387150763
            0.102546068900         0.708801192141
            0.027779309400         0.557202439557
   2 1 1   3 1
            0.809790472200        -0.080502135439
            0.117444764700         0.573197748516
            0.029478576500         0.815453093247
   3 2 2   6 1
           43.562471597900         0.021636168074
           12.003860098700         0.132652933634
            4.051866294300         0.397889519519
            1.465901759100         0.621330844329
            0.496579880400         0.612336624454
            0.152137375000         0.250221593640
#
Mn qvSZPs-GTH-q7 q-vSZPs-GTH-q7 qvSZPs-UZH-q7 q-vSZPs-UZH-q7 qvSZPs-q7 q-vSZPs-q7
  3
   1 0 0   5 1
            1.167469696300         0.099026163604
            0.752282033000        -0.377410431525
            0.192311701800         0.010609336848
            0.148022148400         0.349971773347
            0.058820530200         0.851564668672
   2 1 1   3 1
            0.829302640700        -0.080802228311
            0.152655079400         0.615567439510
            0.132092327100         0.783930945502
   3 2 2   6 1
           43.277468638700         0.027806830513
           12.209151724000         0.156348308893
            4.212754509600         0.440833428387
            1.523439016900         0.650924792256
            0.506888738400         0.544719722965
            0.152137375000         0.245000434978
#
Mn qvSZPs-GTH-q15 q-vSZPs-GTH-q15 qvSZPs-UZH-q15 q-vSZPs-UZH-q15 qvSZPs-q15 q-vSZPs-q15
  3
   1 0 0   5 1
            1.167469696300         0.099026163604
            0.752282033000        -0.377410431525
            0.192311701800         0.010609336848
            0.148022148400         0.349971773347
            0.058820530200         0.851564668672
   2 1 1   3 1
            0.829302640700        -0.080802228311
            0.152655079400         0.615567439510
            0.132092327100         0.783930945502
   3 2 2   6 1
           43.277468638700         0.027806830513
           12.209151724000         0.156348308893
            4.212754509600         0.440833428387
            1.523439016900         0.650924792256
            0.506888738400         0.544719722965
            0.152137375000         0.245000434978
#
Fe qvSZPs-GTH-q8 q-vSZPs-GTH-q8 qvSZPs-UZH-q8 q-vSZPs-UZH-q8 qvSZPs-q8 q-vSZPs-q8
  3
   1 0 0   5 1
            1.434500814900         0.082743166190
            0.838422287600        -0.352444366366
            0.253649063100         0.009342097098
            0.110062962900         0.800560174103
            0.026261769300         0.477443891916
   2 1 1   3 1
            0.912721796200        -0.124519126372
            0.153493929200         0.624722004150
            0.042965256400         0.770854982924
   3 2 2   6 1
           47.516387131900         0.028133610244
           13.482942435700         0.154988263078
            4.678991829500         0.432953009773
            1.685747694000         0.632311192841
            0.551838294300         0.578512730909
            0.152137375000         0.230747492282
#
Fe qvSZPs-GTH-q16 q-vSZPs-GTH-q16 qvSZPs-UZH-q16 q-vSZPs-UZH-q16 qvSZPs-q16 q-vSZPs-q16
  3
   1 0 0   5 1
            1.434500814900         0.082743166190
            0.838422287600        -0.352444366366
            0.253649063100         0.009342097098
            0.110062962900         0.800560174103
            0.026261769300         0.477443891916
   2 1 1   3 1
            0.912721796200        -0.124519126372
            0.153493929200         0.624722004150
            0.042965256400         0.770854982924
   3 2 2   6 1
           47.516387131900         0.028133610244
           13.482942435700         0.154988263078
            4.678991829500         0.432953009773
            1.685747694000         0.632311192841
            0.551838294300         0.578512730909
            0.152137375000         0.230747492282
#
Co qvSZPs-GTH-q9 q-vSZPs-GTH-q9 qvSZPs-UZH-q9 q-vSZPs-UZH-q9 qvSZPs-q9 q-vSZPs-q9
  3
   1 0 0   5 1
            1.365536209600         0.077685262960
            0.833368788200        -0.351941674394
            0.310110331700         0.010204160763
            0.130410019700         0.691171025614
            0.036994701300         0.626323036618
   2 1 1   3 1
            0.976987433800        -0.120839450996
            0.176856024300         0.450479352761
            0.089466161300         0.884571184144
   3 2 2   6 1
           49.295500467400         0.031958370351
           14.217282975800         0.167580764013
            4.957141748900         0.457967052088
            1.775576742100         0.643399510141
            0.576306213500         0.560576634628
            0.152137375000         0.181528059424
#
Co qvSZPs-GTH-q17 q-vSZPs-GTH-q17 qvSZPs-UZH-q17 q-vSZPs-UZH-q17 qvSZPs-q17 q-vSZPs-q17
  3
   1 0 0   5 1
            1.365536209600         0.077685262960
            0.833368788200        -0.351941674394
            0.310110331700         0.010204160763
            0.130410019700         0.691171025614
            0.036994701300         0.626323036618
   2 1 1   3 1
            0.976987433800        -0.120839450996
            0.176856024300         0.450479352761
            0.089466161300         0.884571184144
   3 2 2   6 1
           49.295500467400         0.031958370351
           14.217282975800         0.167580764013
            4.957141748900         0.457967052088
            1.775576742100         0.643399510141
            0.576306213500         0.560576634628
            0.152137375000         0.181528059424
#
Ni qvSZPs-GTH-q10 q-vSZPs-GTH-q10 qvSZPs-UZH-q10 q-vSZPs-UZH-q10 qvSZPs-q10 q-vSZPs-q10
  3
   1 0 0   5 1
            1.447030071300         0.103697774140
            0.941203243600        -0.361010811565
            0.288739560300         0.011803423356
            0.114767416100         0.845092355335
            0.028288349000         0.380259852893
   2 1 1   3 1
            1.128618708800        -0.134130940278
            0.170978870100         0.735856775469
            0.052741661700         0.663719592039
   3 2 2   6 1
           56.662646048100         0.029666171446
           15.896342232000         0.171397416815
            5.451693714400         0.460474488350
            1.923706168100         0.639389007908
            0.610785843200         0.548639115224
            0.152137375000         0.218821633237
#
Ni qvSZPs-GTH-q18 q-vSZPs-GTH-q18 qvSZPs-UZH-q18 q-vSZPs-UZH-q18 qvSZPs-q18 q-vSZPs-q18
  3
   1 0 0   5 1
            1.447030071300         0.103697774140
            0.941203243600        -0.361010811565
            0.288739560300         0.011803423356
            0.114767416100         0.845092355335
            0.028288349000         0.380259852893
   2 1 1   3 1
            1.128618708800        -0.134130940278
            0.170978870100         0.735856775469
            0.052741661700         0.663719592039
   3 2 2   6 1
           56.662646048100         0.029666171446
           15.896342232000         0.171397416815
            5.451693714400         0.460474488350
            1.923706168100         0.639389007908
            0.610785843200         0.548639115224
            0.152137375000         0.218821633237
#
Cu qvSZPs-GTH-q1 q-vSZPs-GTH-q1 qvSZPs-UZH-q1 q-vSZPs-UZH-q1 qvSZPs-q1 q-vSZPs-q1
  3
   1 0 0   5 1
            1.511342334400         0.074505929154
            0.955884655000        -0.323665434084
            0.244510270800         0.008732433765
            0.157973662300         0.487428253876
            0.055511270400         0.807481885384
   2 1 1   3 1
            1.112219420200        -0.102889052378
            0.189020022700         0.553100438285
            0.097053428000         0.826736807013
   3 2 2   6 1
           56.391284917100         0.035560784980
           16.081969785700         0.191309879391
            5.568478500900         0.488505213244
            1.952427309600         0.644537431439
            0.610138165100         0.518674409792
            0.152137375000         0.197603070203
#
Cu qvSZPs-GTH-q11 q-vSZPs-GTH-q11 qvSZPs-UZH-q11 q-vSZPs-UZH-q11 qvSZPs-q11 q-vSZPs-q11
  3
   1 0 0   5 1
            1.511342334400         0.074505929154
            0.955884655000        -0.323665434084
            0.244510270800         0.008732433765
            0.157973662300         0.487428253876
            0.055511270400         0.807481885384
   2 1 1   3 1
            1.112219420200        -0.102889052378
            0.189020022700         0.553100438285
            0.097053428000         0.826736807013
   3 2 2   6 1
           56.391284917100         0.035560784980
           16.081969785700         0.191309879391
            5.568478500900         0.488505213244
            1.952427309600         0.644537431439
            0.610138165100         0.518674409792
            0.152137375000         0.197603070203
#
Cu qvSZPs-GTH-q19 q-vSZPs-GTH-q19 qvSZPs-UZH-q19 q-vSZPs-UZH-q19 qvSZPs-q19 q-vSZPs-q19
  3
   1 0 0   5 1
            1.511342334400         0.074505929154
            0.955884655000        -0.323665434084
            0.244510270800         0.008732433765
            0.157973662300         0.487428253876
            0.055511270400         0.807481885384
   2 1 1   3 1
            1.112219420200        -0.102889052378
            0.189020022700         0.553100438285
            0.097053428000         0.826736807013
   3 2 2   6 1
           56.391284917100         0.035560784980
           16.081969785700         0.191309879391
            5.568478500900         0.488505213244
            1.952427309600         0.644537431439
            0.610138165100         0.518674409792
            0.152137375000         0.197603070203
#
Zn qvSZPs-GTH-q2 q-vSZPs-GTH-q2 qvSZPs-UZH-q2 q-vSZPs-UZH-q2 qvSZPs-q2 q-vSZPs-q2
  3
   1 0 0   5 1
            1.808322451400         0.162538244432
            1.134153919500        -0.419041133246
            0.369113731500         0.016181871495
            0.149596801600         0.714736121101
            0.051912223100         0.535608319552
   2 1 1   3 1
            1.217874206300        -0.055073166739
            0.183273896800         0.520612538534
            0.047983813100         0.852014982865
   3 2 2   2 1
            0.195944228500         0.120195633534
            0.070406678900         0.992750225223
#
Zn qvSZPs-GTH-q12 q-vSZPs-GTH-q12 qvSZPs-UZH-q12 q-vSZPs-UZH-q12 qvSZPs-q12 q-vSZPs-q12
  3
   1 0 0   5 1
            1.808322451400         0.162538244432
            1.134153919500        -0.419041133246
            0.369113731500         0.016181871495
            0.149596801600         0.714736121101
            0.051912223100         0.535608319552
   2 1 1   3 1
            1.217874206300        -0.055073166739
            0.183273896800         0.520612538534
            0.047983813100         0.852014982865
   3 2 2   2 1
            0.195944228500         0.120195633534
            0.070406678900         0.992750225223
#
Zn qvSZPs-GTH-q20 q-vSZPs-GTH-q20 qvSZPs-UZH-q20 q-vSZPs-UZH-q20 qvSZPs-q20 q-vSZPs-q20
  3
   1 0 0   5 1
            1.808322451400         0.162538244432
            1.134153919500        -0.419041133246
            0.369113731500         0.016181871495
            0.149596801600         0.714736121101
            0.051912223100         0.535608319552
   2 1 1   3 1
            1.217874206300        -0.055073166739
            0.183273896800         0.520612538534
            0.047983813100         0.852014982865
   3 2 2   2 1
            0.195944228500         0.120195633534
            0.070406678900         0.992750225223
#
Ga qvSZPs-GTH-q3 q-vSZPs-GTH-q3 qvSZPs-UZH-q3 q-vSZPs-UZH-q3 qvSZPs-q3 q-vSZPs-q3
  3
   1 0 0   5 1
            3.278146374100         0.174623604109
            1.735367734800        -0.483972139925
            0.221778504500         0.221469446812
            0.179502213300         0.594717114962
            0.067122211500         0.576663161616
   2 1 1   4 1
            1.059901556100        -0.308297057755
            0.777684364400         0.302195154967
            0.190933992300         0.444348108090
            0.065492243500         0.784975013189
   3 2 2   2 1
            0.344511379000         0.014141733322
            0.105964339600         0.999900000689
#
Ga qvSZPs-GTH-q13 q-vSZPs-GTH-q13 qvSZPs-UZH-q13 q-vSZPs-UZH-q13 qvSZPs-q13 q-vSZPs-q13
  3
   1 0 0   5 1
            3.278146374100         0.174623604109
            1.735367734800        -0.483972139925
            0.221778504500         0.221469446812
            0.179502213300         0.594717114962
            0.067122211500         0.576663161616
   2 1 1   4 1
            1.059901556100        -0.308297057755
            0.777684364400         0.302195154967
            0.190933992300         0.444348108090
            0.065492243500         0.784975013189
   3 2 2   2 1
            0.344511379000         0.014141733322
            0.105964339600         0.999900000689
#
Ga qvSZPs-GTH-q21 q-vSZPs-GTH-q21 qvSZPs-UZH-q21 q-vSZPs-UZH-q21 qvSZPs-q21 q-vSZPs-q21
  3
   1 0 0   5 1
            3.278146374100         0.174623604109
            1.735367734800        -0.483972139925
            0.221778504500         0.221469446812
            0.179502213300         0.594717114962
            0.067122211500         0.576663161616
   2 1 1   4 1
            1.059901556100        -0.308297057755
            0.777684364400         0.302195154967
            0.190933992300         0.444348108090
            0.065492243500         0.784975013189
   3 2 2   2 1
            0.344511379000         0.014141733322
            0.105964339600         0.999900000689
#
Ge qvSZPs-GTH-q4 q-vSZPs-GTH-q4 qvSZPs-UZH-q4 q-vSZPs-UZH-q4 qvSZPs-q4 q-vSZPs-q4
  3
   1 0 0   6 1
            3.178402010400         0.247115335684
            1.917240683600        -0.569635352617
            0.287906364800         0.237379050260
            0.191645661100         0.695166487638
            0.071638286600         0.136395722724
            0.059486649200         0.237150845883
   2 1 1   5 1
            1.211088691000        -0.346776913491
            0.814318366100         0.314243557462
            0.241195856400         0.637203313716
            0.084267599200         0.504697282448
            0.079326208700         0.346769878943
   3 2 2   2 1
            0.374243013900         0.304101087653
            0.119928823400         0.952639768479
#
Ge qvSZPs-GTH-q14 q-vSZPs-GTH-q14 qvSZPs-UZH-q14 q-vSZPs-UZH-q14 qvSZPs-q14 q-vSZPs-q14
  3
   1 0 0   6 1
            3.178402010400         0.247115335684
            1.917240683600        -0.569635352617
            0.287906364800         0.237379050260
            0.191645661100         0.695166487638
            0.071638286600         0.136395722724
            0.059486649200         0.237150845883
   2 1 1   5 1
            1.211088691000        -0.346776913491
            0.814318366100         0.314243557462
            0.241195856400         0.637203313716
            0.084267599200         0.504697282448
            0.079326208700         0.346769878943
   3 2 2   2 1
            0.374243013900         0.304101087653
            0.119928823400         0.952639768479
#
Ge qvSZPs-GTH-q22 q-vSZPs-GTH-q22 qvSZPs-UZH-q22 q-vSZPs-UZH-q22 qvSZPs-q22 q-vSZPs-q22
  3
   1 0 0   6 1
            3.178402010400         0.247115335684
            1.917240683600        -0.569635352617
            0.287906364800         0.237379050260
            0.191645661100         0.695166487638
            0.071638286600         0.136395722724
            0.059486649200         0.237150845883
   2 1 1   5 1
            1.211088691000        -0.346776913491
            0.814318366100         0.314243557462
            0.241195856400         0.637203313716
            0.084267599200         0.504697282448
            0.079326208700         0.346769878943
   3 2 2   2 1
            0.374243013900         0.304101087653
            0.119928823400         0.952639768479
#
As qvSZPs-GTH-q5 q-vSZPs-GTH-q5 qvSZPs-UZH-q5 q-vSZPs-UZH-q5 qvSZPs-q5 q-vSZPs-q5
  3
   1 0 0   6 1
            3.395983452100         0.181533523063
            1.877471817800        -0.546655236283
            0.377307323200         0.335271820123
            0.221645494000         0.689545837261
            0.137410048700         0.096568593622
            0.072853413000         0.266472295599
   2 1 1   5 1
            1.341205618300        -0.432493516841
            0.936816242100         0.400923955405
            0.327804417600         0.484442220625
            0.168557387200         0.558700906586
            0.064428014900         0.324620350147
   3 2 2   2 1
            0.287165023000         0.898581521705
            0.083807069100         0.438806618967
#
As qvSZPs-GTH-q15 q-vSZPs-GTH-q15 qvSZPs-UZH-q15 q-vSZPs-UZH-q15 qvSZPs-q15 q-vSZPs-q15
  3
   1 0 0   6 1
            3.395983452100         0.181533523063
            1.877471817800        -0.546655236283
            0.377307323200         0.335271820123
            0.221645494000         0.689545837261
            0.137410048700         0.096568593622
            0.072853413000         0.266472295599
   2 1 1   5 1
            1.341205618300        -0.432493516841
            0.936816242100         0.400923955405
            0.327804417600         0.484442220625
            0.168557387200         0.558700906586
            0.064428014900         0.324620350147
   3 2 2   2 1
            0.287165023000         0.898581521705
            0.083807069100         0.438806618967
#
As qvSZPs-GTH-q23 q-vSZPs-GTH-q23 qvSZPs-UZH-q23 q-vSZPs-UZH-q23 qvSZPs-q23 q-vSZPs-q23
  3
   1 0 0   6 1
            3.395983452100         0.181533523063
            1.877471817800        -0.546655236283
            0.377307323200         0.335271820123
            0.221645494000         0.689545837261
            0.137410048700         0.096568593622
            0.072853413000         0.266472295599
   2 1 1   5 1
            1.341205618300        -0.432493516841
            0.936816242100         0.400923955405
            0.327804417600         0.484442220625
            0.168557387200         0.558700906586
            0.064428014900         0.324620350147
   3 2 2   2 1
            0.287165023000         0.898581521705
            0.083807069100         0.438806618967
#
Se qvSZPs-GTH-q6 q-vSZPs-GTH-q6 qvSZPs-UZH-q6 q-vSZPs-UZH-q6 qvSZPs-q6 q-vSZPs-q6
  3
   1 0 0   6 1
            3.693336011700         0.231568453638
            2.191486828100        -0.587355114425
            0.357515814400         0.678083292439
            0.191281678200         0.331624435449
            0.128789545500         0.148602009841
            0.067708308900         0.097651143562
   2 1 1   5 1
            1.458388177400        -0.364101179695
            1.012445766100         0.372275565750
            0.367820413100         0.570676018435
            0.185987069600         0.559549752629
            0.077192899000         0.300123625205
   3 2 2   2 1
            0.323503617700         0.950275435692
            0.111942000800         0.311410655439
#
Se qvSZPs-GTH-q16 q-vSZPs-GTH-q16 qvSZPs-UZH-q16 q-vSZPs-UZH-q16 qvSZPs-q16 q-vSZPs-q16
  3
   1 0 0   6 1
            3.693336011700         0.231568453638
            2.191486828100        -0.587355114425
            0.357515814400         0.678083292439
            0.191281678200         0.331624435449
            0.128789545500         0.148602009841
            0.067708308900         0.097651143562
   2 1 1   5 1
            1.458388177400        -0.364101179695
            1.012445766100         0.372275565750
            0.367820413100         0.570676018435
            0.185987069600         0.559549752629
            0.077192899000         0.300123625205
   3 2 2   2 1
            0.323503617700         0.950275435692
            0.111942000800         0.311410655439
#
Se qvSZPs-GTH-q24 q-vSZPs-GTH-q24 qvSZPs-UZH-q24 q-vSZPs-UZH-q24 qvSZPs-q24 q-vSZPs-q24
  3
   1 0 0   6 1
            3.693336011700         0.231568453638
            2.191486828100        -0.587355114425
            0.357515814400         0.678083292439
            0.191281678200         0.331624435449
            0.128789545500         0.148602009841
            0.067708308900         0.097651143562
   2 1 1   5 1
            1.458388177400        -0.364101179695
            1.012445766100         0.372275565750
            0.367820413100         0.570676018435
            0.185987069600         0.559549752629
            0.077192899000         0.300123625205
   3 2 2   2 1
            0.323503617700         0.950275435692
            0.111942000800         0.311410655439
#
Br qvSZPs-GTH-q7 q-vSZPs-GTH-q7 qvSZPs-UZH-q7 q-vSZPs-UZH-q7 qvSZPs-q7 q-vSZPs-q7
  3
   1 0 0   6 1
            4.529136907300         0.147260171935
            2.296486129600        -0.532906816147
            0.425854282800         0.693125804900
            0.245054383700         0.385477076974
            0.135905729000         0.245443355566
            0.076436858000         0.071178423580
   2 1 1   5 1
            1.772166546300        -0.389452271702
            1.308621663000         0.344640546332
            0.464272443700         0.560872557608
            0.204682084700         0.573777268944
            0.087629703900         0.292833470860
   3 2 2   2 1
            0.459746523200         0.727313095902
            0.183830425400         0.686305806859
#
Br qvSZPs-GTH-q17 q-vSZPs-GTH-q17 qvSZPs-UZH-q17 q-vSZPs-UZH-q17 qvSZPs-q17 q-vSZPs-q17
  3
   1 0 0   6 1
            4.529136907300         0.147260171935
            2.296486129600        -0.532906816147
            0.425854282800         0.693125804900
            0.245054383700         0.385477076974
            0.135905729000         0.245443355566
            0.076436858000         0.071178423580
   2 1 1   5 1
            1.772166546300        -0.389452271702
            1.308621663000         0.344640546332
            0.464272443700         0.560872557608
            0.204682084700         0.573777268944
            0.087629703900         0.292833470860
   3 2 2   2 1
            0.459746523200         0.727313095902
            0.183830425400         0.686305806859
#
Br qvSZPs-GTH-q25 q-vSZPs-GTH-q25 qvSZPs-UZH-q25 q-vSZPs-UZH-q25 qvSZPs-q25 q-vSZPs-q25
  3
   1 0 0   6 1
            4.529136907300         0.147260171935
            2.296486129600        -0.532906816147
            0.425854282800         0.693125804900
            0.245054383700         0.385477076974
            0.135905729000         0.245443355566
            0.076436858000         0.071178423580
   2 1 1   5 1
            1.772166546300        -0.389452271702
            1.308621663000         0.344640546332
            0.464272443700         0.560872557608
            0.204682084700         0.573777268944
            0.087629703900         0.292833470860
   3 2 2   2 1
            0.459746523200         0.727313095902
            0.183830425400         0.686305806859
#
Kr qvSZPs-GTH-q8 q-vSZPs-GTH-q8 qvSZPs-UZH-q8 q-vSZPs-UZH-q8 qvSZPs-q8 q-vSZPs-q8
  3
   1 0 0   6 1
            4.155103474700         0.292001113273
            2.821425338600        -0.612666670137
            0.461726201000         0.665773686501
            0.223253752100         0.287554189382
            0.162105840600         0.112216168014
            0.069853464100         0.028989986536
   2 1 1   5 1
            2.089143241000        -0.340039468092
            1.455599015800         0.290025067741
            0.555944783600         0.564265431443
            0.251466682700         0.630725671301
            0.104166719700         0.289910797765
   3 2 2   2 1
            0.489723085800         0.598635837533
            0.173706999200         0.801021306846
#
Kr qvSZPs-GTH-q18 q-vSZPs-GTH-q18 qvSZPs-UZH-q18 q-vSZPs-UZH-q18 qvSZPs-q18 q-vSZPs-q18
  3
   1 0 0   6 1
            4.155103474700         0.292001113273
            2.821425338600        -0.612666670137
            0.461726201000         0.665773686501
            0.223253752100         0.287554189382
            0.162105840600         0.112216168014
            0.069853464100         0.028989986536
   2 1 1   5 1
            2.089143241000        -0.340039468092
            1.455599015800         0.290025067741
            0.555944783600         0.564265431443
            0.251466682700         0.630725671301
            0.104166719700         0.289910797765
   3 2 2   2 1
            0.489723085800         0.598635837533
            0.173706999200         0.801021306846
#
Kr qvSZPs-GTH-q26 q-vSZPs-GTH-q26 qvSZPs-UZH-q26 q-vSZPs-UZH-q26 qvSZPs-q26 q-vSZPs-q26
  3
   1 0 0   6 1
            4.155103474700         0.292001113273
            2.821425338600        -0.612666670137
            0.461726201000         0.665773686501
            0.223253752100         0.287554189382
            0.162105840600         0.112216168014
            0.069853464100         0.028989986536
   2 1 1   5 1
            2.089143241000        -0.340039468092
            1.455599015800         0.290025067741
            0.555944783600         0.564265431443
            0.251466682700         0.630725671301
            0.104166719700         0.289910797765
   3 2 2   2 1
            0.489723085800         0.598635837533
            0.173706999200         0.801021306846
#
Rb qvSZPs-GTH-q1 q-vSZPs-GTH-q1 qvSZPs-UZH-q1 q-vSZPs-UZH-q1 qvSZPs-q1 q-vSZPs-q1
  3
   1 0 0   4 1
            0.574954674200         0.212772292779
            0.342012704800        -0.470894557051
            0.025949407400         0.806657019426
            0.018525224200         0.286863592281
   2 1 1   3 1
            0.156817807800        -0.163752603902
            0.084953665100         0.152205412994
            0.022113439500         0.974688974479
   3 2 2   2 1
            0.332607384900         0.383585628525
            0.089324717100         0.923505314326
#
Rb qvSZPs-GTH-q9 q-vSZPs-GTH-q9 qvSZPs-UZH-q9 q-vSZPs-UZH-q9 qvSZPs-q9 q-vSZPs-q9
  3
   1 0 0   4 1
            0.574954674200         0.212772292779
            0.342012704800        -0.470894557051
            0.025949407400         0.806657019426
            0.018525224200         0.286863592281
   2 1 1   3 1
            0.156817807800        -0.163752603902
            0.084953665100         0.152205412994
            0.022113439500         0.974688974479
   3 2 2   2 1
            0.332607384900         0.383585628525
            0.089324717100         0.923505314326
#
Sr qvSZPs-GTH-q2 q-vSZPs-GTH-q2 qvSZPs-UZH-q2 q-vSZPs-UZH-q2 qvSZPs-q2 q-vSZPs-q2
  3
   1 0 0   4 1
            0.625515619072         0.201779482124
            0.403505236653        -0.456233694223
            0.043559654890         0.843171605561
            0.032128070355         0.161347224675
   2 1 1   4 1
            0.283992916364        -0.015581244672
            0.183151759639        -0.200652422582
            0.097405001421         0.588766910175
            0.032089520206         0.789051809663
   3 2 2   2 1
            0.462705407432         0.147868624089
            0.112534396884         0.975302780104
#
Sr qvSZPs-GTH-q10 q-vSZPs-GTH-q10 qvSZPs-UZH-q10 q-vSZPs-UZH-q10 qvSZPs-q10 q-vSZPs-q10
  3
   1 0 0   4 1
            0.625515619072         0.201779482124
            0.403505236653        -0.456233694223
            0.043559654890         0.843171605561
            0.032128070355         0.161347224675
   2 1 1   4 1
            0.283992916364        -0.015581244672
            0.183151759639        -0.200652422582
            0.097405001421         0.588766910175
            0.032089520206         0.789051809663
   3 2 2   2 1
            0.462705407432         0.147868624089
            0.112534396884         0.975302780104
#
Y qvSZPs-GTH-q3 q-vSZPs-GTH-q3 qvSZPs-UZH-q3 q-vSZPs-UZH-q3 qvSZPs-q3 q-vSZPs-q3
  3
   1 0 0   5 1
            0.676476595800         0.139085319102
            0.380066584500        -0.482726570949
            0.103504471100         0.380837106151
            0.051674976000         0.033954332544
            0.032211994700         0.775525972222
   2 1 1   3 1
            0.289011046000        -0.300875457113
            0.100873519900         0.711281179975
            0.090443361700         0.635258248526
   3 2 2   6 1
            8.238454624400        -0.011914497022
            2.283278923000         0.037537824687
            0.901040387000         0.314657099617
            0.365059963000         0.540104569452
            0.157970995100         0.450722864054
            0.071302666900         0.636062748489
#
Y qvSZPs-GTH-q11 q-vSZPs-GTH-q11 qvSZPs-UZH-q11 q-vSZPs-UZH-q11 qvSZPs-q11 q-vSZPs-q11
  3
   1 0 0   5 1
            0.676476595800         0.139085319102
            0.380066584500        -0.482726570949
            0.103504471100         0.380837106151
            0.051674976000         0.033954332544
            0.032211994700         0.775525972222
   2 1 1   3 1
            0.289011046000        -0.300875457113
            0.100873519900         0.711281179975
            0.090443361700         0.635258248526
   3 2 2   6 1
            8.238454624400        -0.011914497022
            2.283278923000         0.037537824687
            0.901040387000         0.314657099617
            0.365059963000         0.540104569452
            0.157970995100         0.450722864054
            0.071302666900         0.636062748489
#
Zr qvSZPs-GTH-q4 q-vSZPs-GTH-q4 qvSZPs-UZH-q4 q-vSZPs-UZH-q4 qvSZPs-q4 q-vSZPs-q4
  3
   1 0 0   5 1
            0.539276139500         0.108243196582
            0.344459848600        -0.504712905685
            0.282723475900         0.044527483894
            0.137149409600         0.262333047533
            0.047828907700         0.814092727261
   2 1 1   3 1
            0.348979199200        -0.151103720840
            0.114248446500         0.327345288617
            0.053778087700         0.932744727977
   3 2 2   6 1
           10.081046000900        -0.011758169233
            2.248770755200         0.070641937098
            0.918852743300         0.450268073285
            0.364082383400         0.688388274572
            0.147781222800         0.445940005828
            0.064391964600         0.345527450419
#
Zr qvSZPs-GTH-q12 q-vSZPs-GTH-q12 qvSZPs-UZH-q12 q-vSZPs-UZH-q12 qvSZPs-q12 q-vSZPs-q12
  3
   1 0 0   5 1
            0.539276139500         0.108243196582
            0.344459848600        -0.504712905685
            0.282723475900         0.044527483894
            0.137149409600         0.262333047533
            0.047828907700         0.814092727261
   2 1 1   3 1
            0.348979199200        -0.151103720840
            0.114248446500         0.327345288617
            0.053778087700         0.932744727977
   3 2 2   6 1
           10.081046000900        -0.011758169233
            2.248770755200         0.070641937098
            0.918852743300         0.450268073285
            0.364082383400         0.688388274572
            0.147781222800         0.445940005828
            0.064391964600         0.345527450419
#
Nb qvSZPs-GTH-q5 q-vSZPs-GTH-q5 qvSZPs-UZH-q5 q-vSZPs-UZH-q5 qvSZPs-q5 q-vSZPs-q5
  3
   1 0 0   5 1
            0.778556292000         0.088570774705
            0.437417780700        -0.446847451727
            0.177370133500         0.058300642704
            0.105286600400         0.355650521621
            0.049039575800         0.814000193049
   2 1 1   3 1
            0.394855101800        -0.205725434717
            0.104330305500         0.812299723667
            0.089518888400         0.545752878545
   3 2 2   6 1
           10.190822538300        -0.015329537902
            1.868190850400         0.175081059120
            0.885431495700         0.517408644259
            0.381285783700         0.712959283381
            0.152888148000         0.390376984744
            0.075531396600         0.201729504223
#
Nb qvSZPs-GTH-q13 q-vSZPs-GTH-q13 qvSZPs-UZH-q13 q-vSZPs-UZH-q13 qvSZPs-q13 q-vSZPs-q13
  3
   1 0 0   5 1
            0.778556292000         0.088570774705
            0.437417780700        -0.446847451727
            0.177370133500         0.058300642704
            0.105286600400         0.355650521621
            0.049039575800         0.814000193049
   2 1 1   3 1
            0.394855101800        -0.205725434717
            0.104330305500         0.812299723667
            0.089518888400         0.545752878545
   3 2 2   6 1
           10.190822538300        -0.015329537902
            1.868190850400         0.175081059120
            0.885431495700         0.517408644259
            0.381285783700         0.712959283381
            0.152888148000         0.390376984744
            0.075531396600         0.201729504223
#
Mo qvSZPs-GTH-q6 q-vSZPs-GTH-q6 qvSZPs-UZH-q6 q-vSZPs-UZH-q6 qvSZPs-q6 q-vSZPs-q6
  3
   1 0 0   5 1
            0.712946504000         0.155665288057
            0.461913852800        -0.569137836091
            0.122341948200         0.666523537303
            0.053498719200         0.222024261090
            0.032994561700         0.397871893116
   2 1 1   3 1
            0.437483165900        -0.409747600198
            0.191953205900         0.232179114970
            0.113817173100         0.882156314212
   3 2 2   6 1
           11.079469031900        -0.019514096719
            3.599057614000         0.048910037750
            1.354286056400         0.471604372145
            0.577025307000         0.681412513349
            0.249389809600         0.493024798023
            0.109695273900         0.259653345053
#
Mo qvSZPs-GTH-q14 q-vSZPs-GTH-q14 qvSZPs-UZH-q14 q-vSZPs-UZH-q14 qvSZPs-q14 q-vSZPs-q14
  3
   1 0 0   5 1
            0.712946504000         0.155665288057
            0.461913852800        -0.569137836091
            0.122341948200         0.666523537303
            0.053498719200         0.222024261090
            0.032994561700         0.397871893116
   2 1 1   3 1
            0.437483165900        -0.409747600198
            0.191953205900         0.232179114970
            0.113817173100         0.882156314212
   3 2 2   6 1
           11.079469031900        -0.019514096719
            3.599057614000         0.048910037750
            1.354286056400         0.471604372145
            0.577025307000         0.681412513349
            0.249389809600         0.493024798023
            0.109695273900         0.259653345053
#
Tc qvSZPs-GTH-q7 q-vSZPs-GTH-q7 qvSZPs-UZH-q7 q-vSZPs-UZH-q7 qvSZPs-q7 q-vSZPs-q7
  3
   1 0 0   5 1
            0.963275794700         0.058779375787
            0.474729257600        -0.441856496298
            0.155446339200         0.389115390571
            0.113024574700         0.039444052999
            0.054015993600         0.805196374287
   2 1 1   2 1
            0.455917000600        -0.157086417161
            0.138185608900         0.987584860933
   3 2 2   6 1
           14.500734890200        -0.015525610748
            4.337655800800         0.030655473962
            1.760969921700         0.356559977757
            0.878780285400         0.625736556037
            0.387809352600         0.607066587622
            0.150620138700         0.334077985237
#
Tc qvSZPs-GTH-q15 q-vSZPs-GTH-q15 qvSZPs-UZH-q15 q-vSZPs-UZH-q15 qvSZPs-q15 q-vSZPs-q15
  3
   1 0 0   5 1
            0.963275794700         0.058779375787
            0.474729257600        -0.441856496298
            0.155446339200         0.389115390571
            0.113024574700         0.039444052999
            0.054015993600         0.805196374287
   2 1 1   2 1
            0.455917000600        -0.157086417161
            0.138185608900         0.987584860933
   3 2 2   6 1
           14.500734890200        -0.015525610748
            4.337655800800         0.030655473962
            1.760969921700         0.356559977757
            0.878780285400         0.625736556037
            0.387809352600         0.607066587622
            0.150620138700         0.334077985237
#
Ru qvSZPs-GTH-q8 q-vSZPs-GTH-q8 qvSZPs-UZH-q8 q-vSZPs-UZH-q8 qvSZPs-q8 q-vSZPs-q8
  3
   1 0 0   5 1
            1.073228361500         0.101294535707
            0.584642537400        -0.441781015378
            0.123471311200         0.570845816522
            0.078189927800         0.050882719221
            0.038267020000         0.682726119415
   2 1 1   3 1
            0.525328755700        -0.219453399098
            0.143358015300         0.544244353671
            0.048604783200         0.809714943126
   3 2 2   6 1
           14.190859440900        -0.018504597486
            4.052381274500         0.043691580419
            1.782065517800         0.426474466778
            0.842024880300         0.629824559126
            0.365789762200         0.576077604405
            0.138879442800         0.295505961502
#
Ru qvSZPs-GTH-q16 q-vSZPs-GTH-q16 qvSZPs-UZH-q16 q-vSZPs-UZH-q16 qvSZPs-q16 q-vSZPs-q16
  3
   1 0 0   5 1
            1.073228361500         0.101294535707
            0.584642537400        -0.441781015378
            0.123471311200         0.570845816522
            0.078189927800         0.050882719221
            0.038267020000         0.682726119415
   2 1 1   3 1
            0.525328755700        -0.219453399098
            0.143358015300         0.544244353671
            0.048604783200         0.809714943126
   3 2 2   6 1
           14.190859440900        -0.018504597486
            4.052381274500         0.043691580419
            1.782065517800         0.426474466778
            0.842024880300         0.629824559126
            0.365789762200         0.576077604405
            0.138879442800         0.295505961502
#
Rh qvSZPs-GTH-q9 q-vSZPs-GTH-q9 qvSZPs-UZH-q9 q-vSZPs-UZH-q9 qvSZPs-q9 q-vSZPs-q9
  3
   1 0 0   5 1
            1.253432295600         0.095804707089
            0.635369568800        -0.467179246606
            0.152022352300         0.522876541122
            0.068678682800         0.125723196228
            0.050732174300         0.695240109829
   2 1 1   3 1
            0.498003865500        -0.280932818558
            0.156388008600         0.612633174495
            0.070095283900         0.738753913672
   3 2 2   6 1
           16.806748166500        -0.019302050094
            5.727778879400         0.043737343778
            1.883033158000         0.509177049049
            0.849835628800         0.670995619283
            0.366273456400         0.493517225915
            0.145430902100         0.211326370740
#
Rh qvSZPs-GTH-q17 q-vSZPs-GTH-q17 qvSZPs-UZH-q17 q-vSZPs-UZH-q17 qvSZPs-q17 q-vSZPs-q17
  3
   1 0 0   5 1
            1.253432295600         0.095804707089
            0.635369568800        -0.467179246606
            0.152022352300         0.522876541122
            0.068678682800         0.125723196228
            0.050732174300         0.695240109829
   2 1 1   3 1
            0.498003865500        -0.280932818558
            0.156388008600         0.612633174495
            0.070095283900         0.738753913672
   3 2 2   6 1
           16.806748166500        -0.019302050094
            5.727778879400         0.043737343778
            1.883033158000         0.509177049049
            0.849835628800         0.670995619283
            0.366273456400         0.493517225915
            0.145430902100         0.211326370740
#
Pd qvSZPs-GTH-q10 q-vSZPs-GTH-q10 qvSZPs-UZH-q10 q-vSZPs-UZH-q10 qvSZPs-q10 q-vSZPs-q10
  3
   1 0 0   5 1
            1.371979379000         0.067107966767
            0.644199641100        -0.415698739095
            0.107342614000         0.824666969548
            0.049009000400         0.361511647954
            0.018576196700         0.109200718135
   2 1 1   3 1
            0.588061218500        -0.279001862280
            0.146345907300         0.744305906563
            0.067053979100         0.606767400491
   3 2 2   6 1
           18.256062944200        -0.015699956196
            3.781904163200         0.086175979604
            1.908218886000         0.503069477228
            0.883452311100         0.647101566082
            0.374322129500         0.526611517614
            0.135846028600         0.207817674145
#
Pd qvSZPs-GTH-q18 q-vSZPs-GTH-q18 qvSZPs-UZH-q18 q-vSZPs-UZH-q18 qvSZPs-q18 q-vSZPs-q18
  3
   1 0 0   5 1
            1.371979379000         0.067107966767
            0.644199641100        -0.415698739095
            0.107342614000         0.824666969548
            0.049009000400         0.361511647954
            0.018576196700         0.109200718135
   2 1 1   3 1
            0.588061218500        -0.279001862280
            0.146345907300         0.744305906563
            0.067053979100         0.606767400491
   3 2 2   6 1
           18.256062944200        -0.015699956196
            3.781904163200         0.086175979604
            1.908218886000         0.503069477228
            0.883452311100         0.647101566082
            0.374322129500         0.526611517614
            0.135846028600         0.207817674145
#
Ag qvSZPs-GTH-q1 q-vSZPs-GTH-q1 qvSZPs-UZH-q1 q-vSZPs-UZH-q1 qvSZPs-q1 q-vSZPs-q1
  3
   1 0 0   5 1
            1.688339244500         0.042366710224
            0.655669492600        -0.372861923595
            0.136602798200         0.576090657394
            0.066610289800         0.055382586400
            0.044054023900         0.724038238897
   2 1 1   3 1
            0.587049228400        -0.228417948775
            0.154438374600         0.662892263031
            0.073680276800         0.713021099471
   3 2 2   6 1
           17.653994183200        -0.019353538357
            4.527478483900         0.047526409914
            2.332240770200         0.446964576947
            1.088964817400         0.676523302512
            0.448555338900         0.545216651445
            0.168643007000         0.206505137982
#
Ag qvSZPs-GTH-q11 q-vSZPs-GTH-q11 qvSZPs-UZH-q11 q-vSZPs-UZH-q11 qvSZPs-q11 q-vSZPs-q11
  3
   1 0 0   5 1
            1.688339244500         0.042366710224
            0.655669492600        -0.372861923595
            0.136602798200         0.576090657394
            0.066610289800         0.055382586400
            0.044054023900         0.724038238897
   2 1 1   3 1
            0.587049228400        -0.228417948775
            0.154438374600         0.662892263031
            0.073680276800         0.713021099471
   3 2 2   6 1
           17.653994183200        -0.019353538357
            4.527478483900         0.047526409914
            2.332240770200         0.446964576947
            1.088964817400         0.676523302512
            0.448555338900         0.545216651445
            0.168643007000         0.206505137982
#
Ag qvSZPs-GTH-q19 q-vSZPs-GTH-q19 qvSZPs-UZH-q19 q-vSZPs-UZH-q19 qvSZPs-q19 q-vSZPs-q19
  3
   1 0 0   5 1
            1.688339244500         0.042366710224
            0.655669492600        -0.372861923595
            0.136602798200         0.576090657394
            0.066610289800         0.055382586400
            0.044054023900         0.724038238897
   2 1 1   3 1
            0.587049228400        -0.228417948775
            0.154438374600         0.662892263031
            0.073680276800         0.713021099471
   3 2 2   6 1
           17.653994183200        -0.019353538357
            4.527478483900         0.047526409914
            2.332240770200         0.446964576947
            1.088964817400         0.676523302512
            0.448555338900         0.545216651445
            0.168643007000         0.206505137982
#
Cd qvSZPs-GTH-q2 q-vSZPs-GTH-q2 qvSZPs-UZH-q2 q-vSZPs-UZH-q2 qvSZPs-q2 q-vSZPs-q2
  3
   1 0 0   5 1
            1.350300867100         0.223699148541
            0.861457488400        -0.530574318384
            0.404312259000         0.029991150443
            0.128000549900         0.675555692784
            0.047398127800         0.459537398321
   2 1 1   3 1
            0.766001276100        -0.114436550921
            0.154734224900         0.551015655028
            0.038715971700         0.826611168402
   3 2 2   2 1
            0.105802050000         0.124989976336
            0.035186065500         0.992158004461
#
Cd qvSZPs-GTH-q12 q-vSZPs-GTH-q12 qvSZPs-UZH-q12 q-vSZPs-UZH-q12 qvSZPs-q12 q-vSZPs-q12
  3
   1 0 0   5 1
            1.350300867100         0.223699148541
            0.861457488400        -0.530574318384
            0.404312259000         0.029991150443
            0.128000549900         0.675555692784
            0.047398127800         0.459537398321
   2 1 1   3 1
            0.766001276100        -0.114436550921
            0.154734224900         0.551015655028
            0.038715971700         0.826611168402
   3 2 2   2 1
            0.105802050000         0.124989976336
            0.035186065500         0.992158004461
#
Cd qvSZPs-GTH-q20 q-vSZPs-GTH-q20 qvSZPs-UZH-q20 q-vSZPs-UZH-q20 qvSZPs-q20 q-vSZPs-q20
  3
   1 0 0   5 1
            1.350300867100         0.223699148541
            0.861457488400        -0.530574318384
            0.404312259000         0.029991150443
            0.128000549900         0.675555692784
            0.047398127800         0.459537398321
   2 1 1   3 1
            0.766001276100        -0.114436550921
            0.154734224900         0.551015655028
            0.038715971700         0.826611168402
   3 2 2   2 1
            0.105802050000         0.124989976336
            0.035186065500         0.992158004461
#
In qvSZPs-GTH-q3 q-vSZPs-GTH-q3 qvSZPs-UZH-q3 q-vSZPs-UZH-q3 qvSZPs-q3 q-vSZPs-q3
  3
   1 0 0   5 1
            1.322866313500         0.366146672556
            0.944242741000        -0.697419733103
            0.327106388800         0.170655792817
            0.139414613300         0.470497922653
            0.056601265000         0.359236183050
   2 1 1   4 1
            1.430533832800         0.254540006637
            1.215015520500        -0.362242228925
            0.186697782800         0.389913838543
            0.058570011100         0.807438636131
   3 2 2   2 1
            0.118629173100         0.122324768364
            0.075773295300         0.992490126422
#
In qvSZPs-GTH-q13 q-vSZPs-GTH-q13 qvSZPs-UZH-q13 q-vSZPs-UZH-q13 qvSZPs-q13 q-vSZPs-q13
  3
   1 0 0   5 1
            1.322866313500         0.366146672556
            0.944242741000        -0.697419733103
            0.327106388800         0.170655792817
            0.139414613300         0.470497922653
            0.056601265000         0.359236183050
   2 1 1   4 1
            1.430533832800         0.254540006637
            1.215015520500        -0.362242228925
            0.186697782800         0.389913838543
            0.058570011100         0.807438636131
   3 2 2   2 1
            0.118629173100         0.122324768364
            0.075773295300         0.992490126422
#
In qvSZPs-GTH-q21 q-vSZPs-GTH-q21 qvSZPs-UZH-q21 q-vSZPs-UZH-q21 qvSZPs-q21 q-vSZPs-q21
  3
   1 0 0   5 1
            1.322866313500         0.366146672556
            0.944242741000        -0.697419733103
            0.327106388800         0.170655792817
            0.139414613300         0.470497922653
            0.056601265000         0.359236183050
   2 1 1   4 1
            1.430533832800         0.254540006637
            1.215015520500        -0.362242228925
            0.186697782800         0.389913838543
            0.058570011100         0.807438636131
   3 2 2   2 1
            0.118629173100         0.122324768364
            0.075773295300         0.992490126422
#
Sn qvSZPs-GTH-q4 q-vSZPs-GTH-q4 qvSZPs-UZH-q4 q-vSZPs-UZH-q4 qvSZPs-q4 q-vSZPs-q4
  3
   1 0 0   6 1
            2.250972003500         0.212454095914
            1.183051311700        -0.638201472661
            0.460361143100         0.132343595254
            0.183328901600         0.560800809418
            0.127791336800         0.340014144192
            0.050700208100         0.316133111400
   2 1 1   5 1
            2.294420868800         0.122169864900
            1.598323742300        -0.266394892007
            0.221773977800         0.681638922720
            0.077332158200         0.582571788478
            0.065538188600         0.331793272876
   3 2 2   2 1
            0.196347768200         0.461394545577
            0.089876156600         0.887195059337
#
Sn qvSZPs-GTH-q14 q-vSZPs-GTH-q14 qvSZPs-UZH-q14 q-vSZPs-UZH-q14 qvSZPs-q14 q-vSZPs-q14
  3
   1 0 0   6 1
            2.250972003500         0.212454095914
            1.183051311700        -0.638201472661
            0.460361143100         0.132343595254
            0.183328901600         0.560800809418
            0.127791336800         0.340014144192
            0.050700208100         0.316133111400
   2 1 1   5 1
            2.294420868800         0.122169864900
            1.598323742300        -0.266394892007
            0.221773977800         0.681638922720
            0.077332158200         0.582571788478
            0.065538188600         0.331793272876
   3 2 2   2 1
            0.196347768200         0.461394545577
            0.089876156600         0.887195059337
#
Sn qvSZPs-GTH-q22 q-vSZPs-GTH-q22 qvSZPs-UZH-q22 q-vSZPs-UZH-q22 qvSZPs-q22 q-vSZPs-q22
  3
   1 0 0   6 1
            2.250972003500         0.212454095914
            1.183051311700        -0.638201472661
            0.460361143100         0.132343595254
            0.183328901600         0.560800809418
            0.127791336800         0.340014144192
            0.050700208100         0.316133111400
   2 1 1   5 1
            2.294420868800         0.122169864900
            1.598323742300        -0.266394892007
            0.221773977800         0.681638922720
            0.077332158200         0.582571788478
            0.065538188600         0.331793272876
   3 2 2   2 1
            0.196347768200         0.461394545577
            0.089876156600         0.887195059337
#
Sb qvSZPs-GTH-q5 q-vSZPs-GTH-q5 qvSZPs-UZH-q5 q-vSZPs-UZH-q5 qvSZPs-q5 q-vSZPs-q5
  3
   1 0 0   6 1
            1.954644393900         0.414928672206
            1.397268252700        -0.735661683210
            0.339692485500         0.159784161164
            0.222748925100         0.259664572569
            0.145621282000         0.418384565250
            0.052607060700         0.136505574951
   2 1 1   5 1
            2.092640311900         0.163246356630
            1.392791248500        -0.384769633267
            0.271443129100         0.636877277139
            0.127583404200         0.573084512514
            0.053383607100         0.302100035987
   3 2 2   2 1
            0.187916690100         0.946904508745
            0.155191307700         0.321514931720
#
Sb qvSZPs-GTH-q15 q-vSZPs-GTH-q15 qvSZPs-UZH-q15 q-vSZPs-UZH-q15 qvSZPs-q15 q-vSZPs-q15
  3
   1 0 0   6 1
            1.954644393900         0.414928672206
            1.397268252700        -0.735661683210
            0.339692485500         0.159784161164
            0.222748925100         0.259664572569
            0.145621282000         0.418384565250
            0.052607060700         0.136505574951
   2 1 1   5 1
            2.092640311900         0.163246356630
            1.392791248500        -0.384769633267
            0.271443129100         0.636877277139
            0.127583404200         0.573084512514
            0.053383607100         0.302100035987
   3 2 2   2 1
            0.187916690100         0.946904508745
            0.155191307700         0.321514931720
#
Sb qvSZPs-GTH-q23 q-vSZPs-GTH-q23 qvSZPs-UZH-q23 q-vSZPs-UZH-q23 qvSZPs-q23 q-vSZPs-q23
  3
   1 0 0   6 1
            1.954644393900         0.414928672206
            1.397268252700        -0.735661683210
            0.339692485500         0.159784161164
            0.222748925100         0.259664572569
            0.145621282000         0.418384565250
            0.052607060700         0.136505574951
   2 1 1   5 1
            2.092640311900         0.163246356630
            1.392791248500        -0.384769633267
            0.271443129100         0.636877277139
            0.127583404200         0.573084512514
            0.053383607100         0.302100035987
   3 2 2   2 1
            0.187916690100         0.946904508745
            0.155191307700         0.321514931720
#
Te qvSZPs-GTH-q6 q-vSZPs-GTH-q6 qvSZPs-UZH-q6 q-vSZPs-UZH-q6 qvSZPs-q6 q-vSZPs-q6
  3
   1 0 0   6 1
            2.267470562600         0.332499458283
            1.593437811400        -0.634770937296
            0.335668493500         0.098856165641
            0.221054492700         0.652369459200
            0.179420755600         0.034314066725
            0.080280200700         0.223548785387
   2 1 1   5 1
            2.319078363500         0.194494945801
            1.550008511900        -0.436015258994
            0.358144393800         0.474516961407
            0.165135181700         0.664537315434
            0.065433771300         0.324478380966
   3 2 2   2 1
            0.188241233000         0.917785961360
            0.041288014700         0.397075470320
#
Te qvSZPs-GTH-q16 q-vSZPs-GTH-q16 qvSZPs-UZH-q16 q-vSZPs-UZH-q16 qvSZPs-q16 q-vSZPs-q16
  3
   1 0 0   6 1
            2.267470562600         0.332499458283
            1.593437811400        -0.634770937296
            0.335668493500         0.098856165641
            0.221054492700         0.652369459200
            0.179420755600         0.034314066725
            0.080280200700         0.223548785387
   2 1 1   5 1
            2.319078363500         0.194494945801
            1.550008511900        -0.436015258994
            0.358144393800         0.474516961407
            0.165135181700         0.664537315434
            0.065433771300         0.324478380966
   3 2 2   2 1
            0.188241233000         0.917785961360
            0.041288014700         0.397075470320
#
Te qvSZPs-GTH-q24 q-vSZPs-GTH-q24 qvSZPs-UZH-q24 q-vSZPs-UZH-q24 qvSZPs-q24 q-vSZPs-q24
  3
   1 0 0   6 1
            2.267470562600         0.332499458283
            1.593437811400        -0.634770937296
            0.335668493500         0.098856165641
            0.221054492700         0.652369459200
            0.179420755600         0.034314066725
            0.080280200700         0.223548785387
   2 1 1   5 1
            2.319078363500         0.194494945801
            1.550008511900        -0.436015258994
            0.358144393800         0.474516961407
            0.165135181700         0.664537315434
            0.065433771300         0.324478380966
   3 2 2   2 1
            0.188241233000         0.917785961360
            0.041288014700         0.397075470320
#
I qvSZPs-GTH-q7 q-vSZPs-GTH-q7 qvSZPs-UZH-q7 q-vSZPs-UZH-q7 qvSZPs-q7 q-vSZPs-q7
  3
   1 0 0   6 1
            2.592798716700         0.323907102090
            1.620037652200        -0.731325181387
            0.341923472000         0.366186557591
            0.274707351400         0.259590431875
            0.205924867500         0.278543260560
            0.101265447300         0.284923731901
   2 1 1   5 1
            0.946868326500        -0.528835729284
            0.656465437200         0.593977570855
            0.218984201600         0.493837867077
            0.185360380300         0.112344826827
            0.083509619800         0.333205968854
   3 2 2   2 1
            0.245896382400         0.886303517865
            0.122970515700         0.463104819905
#
I qvSZPs-GTH-q17 q-vSZPs-GTH-q17 qvSZPs-UZH-q17 q-vSZPs-UZH-q17 qvSZPs-q17 q-vSZPs-q17
  3
   1 0 0   6 1
            2.592798716700         0.323907102090
            1.620037652200        -0.731325181387
            0.341923472000         0.366186557591
            0.274707351400         0.259590431875
            0.205924867500         0.278543260560
            0.101265447300         0.284923731901
   2 1 1   5 1
            0.946868326500        -0.528835729284
            0.656465437200         0.593977570855
            0.218984201600         0.493837867077
            0.185360380300         0.112344826827
            0.083509619800         0.333205968854
   3 2 2   2 1
            0.245896382400         0.886303517865
            0.122970515700         0.463104819905
#
I qvSZPs-GTH-q25 q-vSZPs-GTH-q25 qvSZPs-UZH-q25 q-vSZPs-UZH-q25 qvSZPs-q25 q-vSZPs-q25
  3
   1 0 0   6 1
            2.592798716700         0.323907102090
            1.620037652200        -0.731325181387
            0.341923472000         0.366186557591
            0.274707351400         0.259590431875
            0.205924867500         0.278543260560
            0.101265447300         0.284923731901
   2 1 1   5 1
            0.946868326500        -0.528835729284
            0.656465437200         0.593977570855
            0.218984201600         0.493837867077
            0.185360380300         0.112344826827
            0.083509619800         0.333205968854
   3 2 2   2 1
            0.245896382400         0.886303517865
            0.122970515700         0.463104819905
#
Xe qvSZPs-GTH-q8 q-vSZPs-GTH-q8 qvSZPs-UZH-q8 q-vSZPs-UZH-q8 qvSZPs-q8 q-vSZPs-q8
  3
   1 0 0   6 1
            2.674288582200         0.355059414978
            1.756764557600        -0.722243252007
            0.388329988800         0.448063295789
            0.331536130300         0.082346236304
            0.178723170200         0.373380529339
            0.071874942200         0.073094852139
   2 1 1   5 1
            1.039917547500        -0.576526877003
            0.765992883800         0.639660864283
            0.272248751500         0.323342810205
            0.186266107700         0.342882188420
            0.076165613400         0.190609471828
   3 2 2   2 1
            0.204434748300         0.666761914729
            0.067178627400         0.745270789087
#
Xe qvSZPs-GTH-q18 q-vSZPs-GTH-q18 qvSZPs-UZH-q18 q-vSZPs-UZH-q18 qvSZPs-q18 q-vSZPs-q18
  3
   1 0 0   6 1
            2.674288582200         0.355059414978
            1.756764557600        -0.722243252007
            0.388329988800         0.448063295789
            0.331536130300         0.082346236304
            0.178723170200         0.373380529339
            0.071874942200         0.073094852139
   2 1 1   5 1
            1.039917547500        -0.576526877003
            0.765992883800         0.639660864283
            0.272248751500         0.323342810205
            0.186266107700         0.342882188420
            0.076165613400         0.190609471828
   3 2 2   2 1
            0.204434748300         0.666761914729
            0.067178627400         0.745270789087
#
Xe qvSZPs-GTH-q26 q-vSZPs-GTH-q26 qvSZPs-UZH-q26 q-vSZPs-UZH-q26 qvSZPs-q26 q-vSZPs-q26
  3
   1 0 0   6 1
            2.674288582200         0.355059414978
            1.756764557600        -0.722243252007
            0.388329988800         0.448063295789
            0.331536130300         0.082346236304
            0.178723170200         0.373380529339
            0.071874942200         0.073094852139
   2 1 1   5 1
            1.039917547500        -0.576526877003
            0.765992883800         0.639660864283
            0.272248751500         0.323342810205
            0.186266107700         0.342882188420
            0.076165613400         0.190609471828
   3 2 2   2 1
            0.204434748300         0.666761914729
            0.067178627400         0.745270789087
#
Cs qvSZPs-GTH-q1 q-vSZPs-GTH-q1 qvSZPs-UZH-q1 q-vSZPs-UZH-q1 qvSZPs-q1 q-vSZPs-q1
  3
   1 0 0   4 1
            0.345891827600         0.545862936625
            0.290627997900        -0.707110546857
            0.022917173200         0.379778801580
            0.017246394300         0.240408799366
   2 1 1   3 1
            0.107935151300        -0.228509023869
            0.088908604900         0.206188834982
            0.018860959100         0.951456667610
   3 2 2   2 1
            0.223597084300         0.392742102342
            0.072718974100         0.919648650870
#
Cs qvSZPs-GTH-q9 q-vSZPs-GTH-q9 qvSZPs-UZH-q9 q-vSZPs-UZH-q9 qvSZPs-q9 q-vSZPs-q9
  3
   1 0 0   4 1
            0.345891827600         0.545862936625
            0.290627997900        -0.707110546857
            0.022917173200         0.379778801580
            0.017246394300         0.240408799366
   2 1 1   3 1
            0.107935151300        -0.228509023869
            0.088908604900         0.206188834982
            0.018860959100         0.951456667610
   3 2 2   2 1
            0.223597084300         0.392742102342
            0.072718974100         0.919648650870
#
Ba qvSZPs-GTH-q2 q-vSZPs-GTH-q2 qvSZPs-UZH-q2 q-vSZPs-UZH-q2 qvSZPs-q2 q-vSZPs-q2
  3
   1 0 0   4 1
            0.491472597800         0.225754529740
            0.306551541500        -0.499622939956
            0.036599622600         0.827356028875
            0.030432079300         0.122040205081
   2 1 1   3 1
            0.134043257000        -0.209544523238
            0.095026215300         0.552490323083
            0.026569527200         0.806749983378
   3 2 2   2 1
            0.303725044200         0.090831497537
            0.094470755500         0.995866275689
#
Ba qvSZPs-GTH-q10 q-vSZPs-GTH-q10 qvSZPs-UZH-q10 q-vSZPs-UZH-q10 qvSZPs-q10 q-vSZPs-q10
  3
   1 0 0   4 1
            0.491472597800         0.225754529740
            0.306551541500        -0.499622939956
            0.036599622600         0.827356028875
            0.030432079300         0.122040205081
   2 1 1   3 1
            0.134043257000        -0.209544523238
            0.095026215300         0.552490323083
            0.026569527200         0.806749983378
   3 2 2   2 1
            0.303725044200         0.090831497537
            0.094470755500         0.995866275689
#
La qvSZPs-GTH-q11 q-vSZPs-GTH-q11 qvSZPs-UZH-q11 q-vSZPs-UZH-q11 qvSZPs-q11 q-vSZPs-q11
  3
   1 0 0   4 1
            0.365206711800         0.126127922914
            0.213553247500        -0.635653891060
            0.119998718300         0.443536280277
            0.035438665800         0.619121511433
   2 1 1   2 1
            0.166855442200        -0.466697280166
            0.109165765400         0.884417123695
   3 2 2   5 1
            3.119360037800        -0.020777248332
            0.577722952400         0.216408105824
            0.329137518200         0.357017300708
            0.139787040600         0.677889035407
            0.052795262400         0.604765194398
#
Hf qvSZPs-GTH-q12 q-vSZPs-GTH-q12 qvSZPs-UZH-q12 q-vSZPs-UZH-q12 qvSZPs-q12 q-vSZPs-q12
  3
   1 0 0   4 1
            0.683719122500         0.179963590335
            0.467690822400        -0.518886927296
            0.103275431900         0.619464503722
            0.034338739000         0.560921733813
   2 1 1   3 1
            0.378478442500        -0.199730370893
            0.124446838500         0.445973782744
            0.050513282100         0.872476454724
   3 2 2   5 1
            6.614968332800        -0.014191213616
            0.981230092500         0.369786328728
            0.390875056400         0.636034735489
            0.158221984400         0.486854179020
            0.062285772400         0.470626714248
#
Ta qvSZPs-GTH-q5 q-vSZPs-GTH-q5 qvSZPs-UZH-q5 q-vSZPs-UZH-q5 qvSZPs-q5 q-vSZPs-q5
  3
   1 0 0   5 1
            0.696078766500         0.186429788982
            0.449655188900        -0.684987490076
            0.218633460200         0.451532419532
            0.082910012200         0.314544920828
            0.039026549800         0.439563464260
   2 1 1   3 1
            0.385421004700        -0.231160665210
            0.147878181600         0.396613227283
            0.079503340000         0.888404578333
   3 2 2   5 1
            6.039633595500        -0.021927033387
            1.079086716800         0.386990197425
            0.446354045900         0.647655183044
            0.183685624800         0.498114945228
            0.072921444300         0.426827901526
#
Ta qvSZPs-GTH-q13 q-vSZPs-GTH-q13 qvSZPs-UZH-q13 q-vSZPs-UZH-q13 qvSZPs-q13 q-vSZPs-q13
  3
   1 0 0   5 1
            0.696078766500         0.186429788982
            0.449655188900        -0.684987490076
            0.218633460200         0.451532419532
            0.082910012200         0.314544920828
            0.039026549800         0.439563464260
   2 1 1   3 1
            0.385421004700        -0.231160665210
            0.147878181600         0.396613227283
            0.079503340000         0.888404578333
   3 2 2   5 1
            6.039633595500        -0.021927033387
            1.079086716800         0.386990197425
            0.446354045900         0.647655183044
            0.183685624800         0.498114945228
            0.072921444300         0.426827901526
#
W qvSZPs-GTH-q6 q-vSZPs-GTH-q6 qvSZPs-UZH-q6 q-vSZPs-UZH-q6 qvSZPs-q6 q-vSZPs-q6
  3
   1 0 0   5 1
            1.123015755700         0.131194676946
            0.589628054000        -0.527568365502
            0.136260077300         0.610100255095
            0.061637105500         0.236210548863
            0.037740058100         0.525777359537
   2 1 1   3 1
            0.440984597200        -0.212382815893
            0.155086970500         0.377450403073
            0.067186510500         0.901346067131
   3 2 2   5 1
            7.448901166200        -0.017377103047
            1.105060746800         0.483399369378
            0.452604253000         0.701456348759
            0.188315344400         0.429749914087
            0.085878138100         0.298826183763
#
W qvSZPs-GTH-q14 q-vSZPs-GTH-q14 qvSZPs-UZH-q14 q-vSZPs-UZH-q14 qvSZPs-q14 q-vSZPs-q14
  3
   1 0 0   5 1
            1.123015755700         0.131194676946
            0.589628054000        -0.527568365502
            0.136260077300         0.610100255095
            0.061637105500         0.236210548863
            0.037740058100         0.525777359537
   2 1 1   3 1
            0.440984597200        -0.212382815893
            0.155086970500         0.377450403073
            0.067186510500         0.901346067131
   3 2 2   5 1
            7.448901166200        -0.017377103047
            1.105060746800         0.483399369378
            0.452604253000         0.701456348759
            0.188315344400         0.429749914087
            0.085878138100         0.298826183763
#
Re qvSZPs-GTH-q7 q-vSZPs-GTH-q7 qvSZPs-UZH-q7 q-vSZPs-UZH-q7 qvSZPs-q7 q-vSZPs-q7
  3
   1 0 0   5 1
            1.125661865800         0.121027276760
            0.609051753000        -0.498445224299
            0.141482371100         0.607704403042
            0.054449978300         0.071747040959
            0.047810397300         0.602040262184
   2 1 1   3 1
            0.434510505800        -0.233039121082
            0.204220871200         0.190727203065
            0.119393547800         0.953580569253
   3 2 2   5 1
            7.059222535600        -0.023458186555
            1.551407572600         0.043856626327
            1.113755109700         0.521078647938
            0.445844601800         0.726204552332
            0.159895887200         0.445679594155
#
Re qvSZPs-GTH-q15 q-vSZPs-GTH-q15 qvSZPs-UZH-q15 q-vSZPs-UZH-q15 qvSZPs-q15 q-vSZPs-q15
  3
   1 0 0   5 1
            1.125661865800         0.121027276760
            0.609051753000        -0.498445224299
            0.141482371100         0.607704403042
            0.054449978300         0.071747040959
            0.047810397300         0.602040262184
   2 1 1   3 1
            0.434510505800        -0.233039121082
            0.204220871200         0.190727203065
            0.119393547800         0.953580569253
   3 2 2   5 1
            7.059222535600        -0.023458186555
            1.551407572600         0.043856626327
            1.113755109700         0.521078647938
            0.445844601800         0.726204552332
            0.159895887200         0.445679594155
#
Os qvSZPs-GTH-q8 q-vSZPs-GTH-q8 qvSZPs-UZH-q8 q-vSZPs-UZH-q8 qvSZPs-q8 q-vSZPs-q8
  3
   1 0 0   5 1
            1.033161240200         0.178848231321
            0.658886221600        -0.543888672763
            0.136189501000         0.723731459284
            0.055692997900         0.212031303625
            0.030756966100         0.321642539037
   2 1 1   3 1
            0.504424466700        -0.336065100242
            0.160175249300         0.744227687392
            0.064338280500         0.577222138971
   3 2 2   5 1
            6.837158000800        -0.030605820403
            1.303884173000         0.523592466852
            0.575329906800         0.655837304965
            0.265888290900         0.453235720545
            0.112377229800         0.298946522730
#
Os qvSZPs-GTH-q16 q-vSZPs-GTH-q16 qvSZPs-UZH-q16 q-vSZPs-UZH-q16 qvSZPs-q16 q-vSZPs-q16
  3
   1 0 0   5 1
            1.033161240200         0.178848231321
            0.658886221600        -0.543888672763
            0.136189501000         0.723731459284
            0.055692997900         0.212031303625
            0.030756966100         0.321642539037
   2 1 1   3 1
            0.504424466700        -0.336065100242
            0.160175249300         0.744227687392
            0.064338280500         0.577222138971
   3 2 2   5 1
            6.837158000800        -0.030605820403
            1.303884173000         0.523592466852
            0.575329906800         0.655837304965
            0.265888290900         0.453235720545
            0.112377229800         0.298946522730
#
Ir qvSZPs-GTH-q9 q-vSZPs-GTH-q9 qvSZPs-UZH-q9 q-vSZPs-UZH-q9 qvSZPs-q9 q-vSZPs-q9
  3
   1 0 0   5 1
            1.079460909200         0.170061381444
            0.649242345900        -0.610613856250
            0.219942617700         0.485060833443
            0.083492292700         0.470804098531
            0.038851989400         0.375884734676
   2 1 1   3 1
            0.448705043300        -0.462757515885
            0.241858705700         0.526452680705
            0.108175762700         0.713234222728
   3 2 2   5 1
            8.402425523300        -0.022056277331
            1.329828957500         0.590801668333
            0.577761343100         0.649058090351
            0.273438765200         0.403532127490
            0.121061362600         0.257589453896
#
Ir qvSZPs-GTH-q17 q-vSZPs-GTH-q17 qvSZPs-UZH-q17 q-vSZPs-UZH-q17 qvSZPs-q17 q-vSZPs-q17
  3
   1 0 0   5 1
            1.079460909200         0.170061381444
            0.649242345900        -0.610613856250
            0.219942617700         0.485060833443
            0.083492292700         0.470804098531
            0.038851989400         0.375884734676
   2 1 1   3 1
            0.448705043300        -0.462757515885
            0.241858705700         0.526452680705
            0.108175762700         0.713234222728
   3 2 2   5 1
            8.402425523300        -0.022056277331
            1.329828957500         0.590801668333
            0.577761343100         0.649058090351
            0.273438765200         0.403532127490
            0.121061362600         0.257589453896
#
Pt qvSZPs-GTH-q10 q-vSZPs-GTH-q10 qvSZPs-UZH-q10 q-vSZPs-UZH-q10 qvSZPs-q10 q-vSZPs-q10
  3
   1 0 0   5 1
            1.369802383800         0.116496423511
            0.725745391000        -0.485117003069
            0.131961578700         0.715370861445
            0.077782189500         0.099729234883
            0.039261116000         0.478945390360
   2 1 1   3 1
            0.547932556800        -0.271255417523
            0.148124765500         0.656464922878
            0.055046113600         0.703899356084
   3 2 2   5 1
            8.476017664700        -0.026129113597
            1.425761091600         0.588021546234
            0.620329977400         0.655821221418
            0.269675351300         0.431554839071
            0.106042633600         0.192890842183
#
Pt qvSZPs-GTH-q18 q-vSZPs-GTH-q18 qvSZPs-UZH-q18 q-vSZPs-UZH-q18 qvSZPs-q18 q-vSZPs-q18
  3
   1 0 0   5 1
            1.369802383800         0.116496423511
            0.725745391000        -0.485117003069
            0.131961578700         0.715370861445
            0.077782189500         0.099729234883
            0.039261116000         0.478945390360
   2 1 1   3 1
            0.547932556800        -0.271255417523
            0.148124765500         0.656464922878
            0.055046113600         0.703899356084
   3 2 2   5 1
            8.476017664700        -0.026129113597
            1.425761091600         0.588021546234
            0.620329977400         0.655821221418
            0.269675351300         0.431554839071
            0.106042633600         0.192890842183
#
Au qvSZPs-GTH-q1 q-vSZPs-GTH-q1 qvSZPs-UZH-q1 q-vSZPs-UZH-q1 qvSZPs-q1 q-vSZPs-q1
  3
   1 0 0   5 1
            1.310123518500         0.118835795001
            0.742420501700        -0.486682687263
            0.149240097800         0.731445703049
            0.056981966400         0.062461009844
            0.046227560900         0.458370834025
   2 1 1   3 1
            0.555119054400        -0.325479913579
            0.182154764200         0.693935834511
            0.067945967100         0.642273994054
   3 2 2   5 1
            8.872402737800        -0.027268424918
            1.496889284300         0.632705667129
            0.662873156300         0.635044137955
            0.304430836400         0.401604671197
            0.132425131800         0.185398497046
#
Au qvSZPs-GTH-q11 q-vSZPs-GTH-q11 qvSZPs-UZH-q11 q-vSZPs-UZH-q11 qvSZPs-q11 q-vSZPs-q11
  3
   1 0 0   5 1
            1.310123518500         0.118835795001
            0.742420501700        -0.486682687263
            0.149240097800         0.731445703049
            0.056981966400         0.062461009844
            0.046227560900         0.458370834025
   2 1 1   3 1
            0.555119054400        -0.325479913579
            0.182154764200         0.693935834511
            0.067945967100         0.642273994054
   3 2 2   5 1
            8.872402737800        -0.027268424918
            1.496889284300         0.632705667129
            0.662873156300         0.635044137955
            0.304430836400         0.401604671197
            0.132425131800         0.185398497046
#
Au qvSZPs-GTH-q19 q-vSZPs-GTH-q19 qvSZPs-UZH-q19 q-vSZPs-UZH-q19 qvSZPs-q19 q-vSZPs-q19
  3
   1 0 0   5 1
            1.310123518500         0.118835795001
            0.742420501700        -0.486682687263
            0.149240097800         0.731445703049
            0.056981966400         0.062461009844
            0.046227560900         0.458370834025
   2 1 1   3 1
            0.555119054400        -0.325479913579
            0.182154764200         0.693935834511
            0.067945967100         0.642273994054
   3 2 2   5 1
            8.872402737800        -0.027268424918
            1.496889284300         0.632705667129
            0.662873156300         0.635044137955
            0.304430836400         0.401604671197
            0.132425131800         0.185398497046
#
Hg qvSZPs-GTH-q2 q-vSZPs-GTH-q2 qvSZPs-UZH-q2 q-vSZPs-UZH-q2 qvSZPs-q2 q-vSZPs-q2
  3
   1 0 0   5 1
            1.441411186700         0.241608790372
            0.885905465500        -0.577193143419
            0.307283362700         0.036222240619
            0.137332149700         0.654202104394
            0.058781080000         0.423297559047
   2 1 1   3 1
            0.601613834500        -0.149468360494
            0.145553015900         0.651741556956
            0.027750975800         0.743567180656
   3 2 2   2 1
            0.077746138900         0.567480920441
            0.038545708800         0.823386546487
#
Hg qvSZPs-GTH-q12 q-vSZPs-GTH-q12 qvSZPs-UZH-q12 q-vSZPs-UZH-q12 qvSZPs-q12 q-vSZPs-q12
  3
   1 0 0   5 1
            1.441411186700         0.241608790372
            0.885905465500        -0.577193143419
            0.307283362700         0.036222240619
            0.137332149700         0.654202104394
            0.058781080000         0.423297559047
   2 1 1   3 1
            0.601613834500        -0.149468360494
            0.145553015900         0.651741556956
            0.027750975800         0.743567180656
   3 2 2   2 1
            0.077746138900         0.567480920441
            0.038545708800         0.823386546487
#
Hg qvSZPs-GTH-q20 q-vSZPs-GTH-q20 qvSZPs-UZH-q20 q-vSZPs-UZH-q20 qvSZPs-q20 q-vSZPs-q20
  3
   1 0 0   5 1
            1.441411186700         0.241608790372
            0.885905465500        -0.577193143419
            0.307283362700         0.036222240619
            0.137332149700         0.654202104394
            0.058781080000         0.423297559047
   2 1 1   3 1
            0.601613834500        -0.149468360494
            0.145553015900         0.651741556956
            0.027750975800         0.743567180656
   3 2 2   2 1
            0.077746138900         0.567480920441
            0.038545708800         0.823386546487
#
Tl qvSZPs-GTH-q3 q-vSZPs-GTH-q3 qvSZPs-UZH-q3 q-vSZPs-UZH-q3 qvSZPs-q3 q-vSZPs-q3
  3
   1 0 0   5 1
            1.427432497200         0.335327629448
            0.967143688000        -0.659393637085
            0.259840155300         0.037630322386
            0.167969481600         0.594199545472
            0.060673236800         0.313474514591
   2 1 1   4 1
            1.170584293600         0.423914965265
            1.068715026500        -0.513122333673
            0.168872981200         0.375839076081
            0.051819772600         0.644784120308
   3 2 2   2 1
            0.609794971900         0.000749092400
            0.085873023600         0.999999719430
#
Tl qvSZPs-GTH-q13 q-vSZPs-GTH-q13 qvSZPs-UZH-q13 q-vSZPs-UZH-q13 qvSZPs-q13 q-vSZPs-q13
  3
   1 0 0   5 1
            1.427432497200         0.335327629448
            0.967143688000        -0.659393637085
            0.259840155300         0.037630322386
            0.167969481600         0.594199545472
            0.060673236800         0.313474514591
   2 1 1   4 1
            1.170584293600         0.423914965265
            1.068715026500        -0.513122333673
            0.168872981200         0.375839076081
            0.051819772600         0.644784120308
   3 2 2   2 1
            0.609794971900         0.000749092400
            0.085873023600         0.999999719430
#
Tl qvSZPs-GTH-q21 q-vSZPs-GTH-q21 qvSZPs-UZH-q21 q-vSZPs-UZH-q21 qvSZPs-q21 q-vSZPs-q21
  3
   1 0 0   5 1
            1.427432497200         0.335327629448
            0.967143688000        -0.659393637085
            0.259840155300         0.037630322386
            0.167969481600         0.594199545472
            0.060673236800         0.313474514591
   2 1 1   4 1
            1.170584293600         0.423914965265
            1.068715026500        -0.513122333673
            0.168872981200         0.375839076081
            0.051819772600         0.644784120308
   3 2 2   2 1
            0.609794971900         0.000749092400
            0.085873023600         0.999999719430
#
Pb qvSZPs-GTH-q4 q-vSZPs-GTH-q4 qvSZPs-UZH-q4 q-vSZPs-UZH-q4 qvSZPs-q4 q-vSZPs-q4
  3
   1 0 0   5 1
            1.407215073600         0.319333836159
            1.034312431000        -0.652407094189
            0.511427427200         0.070340144834
            0.187689547500         0.633905774097
            0.063901448700         0.256137888893
   2 1 1   5 1
            1.270742190500         0.358390175173
            1.019223853300        -0.565143396578
            0.221524629200         0.509283362493
            0.074068850300         0.510101822388
            0.064399927000         0.180543654357
   3 2 2   2 1
            0.203471584700         0.046189980861
            0.084083059700         0.998932673241
#
Pb qvSZPs-GTH-q14 q-vSZPs-GTH-q14 qvSZPs-UZH-q14 q-vSZPs-UZH-q14 qvSZPs-q14 q-vSZPs-q14
  3
   1 0 0   5 1
            1.407215073600         0.319333836159
            1.034312431000        -0.652407094189
            0.511427427200         0.070340144834
            0.187689547500         0.633905774097
            0.063901448700         0.256137888893
   2 1 1   5 1
            1.270742190500         0.358390175173
            1.019223853300        -0.565143396578
            0.221524629200         0.509283362493
            0.074068850300         0.510101822388
            0.064399927000         0.180543654357
   3 2 2   2 1
            0.203471584700         0.046189980861
            0.084083059700         0.998932673241
#
Pb qvSZPs-GTH-q22 q-vSZPs-GTH-q22 qvSZPs-UZH-q22 q-vSZPs-UZH-q22 qvSZPs-q22 q-vSZPs-q22
  3
   1 0 0   5 1
            1.407215073600         0.319333836159
            1.034312431000        -0.652407094189
            0.511427427200         0.070340144834
            0.187689547500         0.633905774097
            0.063901448700         0.256137888893
   2 1 1   5 1
            1.270742190500         0.358390175173
            1.019223853300        -0.565143396578
            0.221524629200         0.509283362493
            0.074068850300         0.510101822388
            0.064399927000         0.180543654357
   3 2 2   2 1
            0.203471584700         0.046189980861
            0.084083059700         0.998932673241
#
Bi qvSZPs-GTH-q5 q-vSZPs-GTH-q5 qvSZPs-UZH-q5 q-vSZPs-UZH-q5 qvSZPs-q5 q-vSZPs-q5
  3
   1 0 0   6 1
            1.610319451400         0.076182688476
            1.012668128400        -0.470970142786
            0.385271148200         0.138551136174
            0.192876907200         0.829521031100
            0.162034570300         0.101022258792
            0.060941601600         0.234256840748
   2 1 1   5 1
            1.382465095900         0.465293767392
            1.193161990800        -0.641544815455
            0.273851308600         0.351414465461
            0.139237255600         0.288166215351
            0.064254704400         0.406681774343
   3 2 2   2 1
            0.072460003700         0.984489152796
            0.034695634100         0.175445455990
#
Bi qvSZPs-GTH-q15 q-vSZPs-GTH-q15 qvSZPs-UZH-q15 q-vSZPs-UZH-q15 qvSZPs-q15 q-vSZPs-q15
  3
   1 0 0   6 1
            1.610319451400         0.076182688476
            1.012668128400        -0.470970142786
            0.385271148200         0.138551136174
            0.192876907200         0.829521031100
            0.162034570300         0.101022258792
            0.060941601600         0.234256840748
   2 1 1   5 1
            1.382465095900         0.465293767392
            1.193161990800        -0.641544815455
            0.273851308600         0.351414465461
            0.139237255600         0.288166215351
            0.064254704400         0.406681774343
   3 2 2   2 1
            0.072460003700         0.984489152796
            0.034695634100         0.175445455990
#
Bi qvSZPs-GTH-q23 q-vSZPs-GTH-q23 qvSZPs-UZH-q23 q-vSZPs-UZH-q23 qvSZPs-q23 q-vSZPs-q23
  3
   1 0 0   6 1
            1.610319451400         0.076182688476
            1.012668128400        -0.470970142786
            0.385271148200         0.138551136174
            0.192876907200         0.829521031100
            0.162034570300         0.101022258792
            0.060941601600         0.234256840748
   2 1 1   5 1
            1.382465095900         0.465293767392
            1.193161990800        -0.641544815455
            0.273851308600         0.351414465461
            0.139237255600         0.288166215351
            0.064254704400         0.406681774343
   3 2 2   2 1
            0.072460003700         0.984489152796
            0.034695634100         0.175445455990
#
Po qvSZPs-GTH-q6 q-vSZPs-GTH-q6 qvSZPs-UZH-q6 q-vSZPs-UZH-q6 qvSZPs-q6 q-vSZPs-q6
  3
   1 0 0   6 1
            1.797678483000         0.397390897661
            1.350924822400        -0.727889379781
            0.695689178100         0.072998241457
            0.254374787900         0.520384969839
            0.146623949300         0.151721919593
            0.072260965600         0.114493337288
   2 1 1   5 1
            1.659601390700         0.229919950254
            1.245517554200        -0.445296382527
            0.251887068300         0.697691846836
            0.146655893200         0.237187738173
            0.077299534200         0.453669496332
   3 2 2   2 1
            0.156413929200         0.745132599494
            0.042487880400         0.666916343457
#
Po qvSZPs-GTH-q16 q-vSZPs-GTH-q16 qvSZPs-UZH-q16 q-vSZPs-UZH-q16 qvSZPs-q16 q-vSZPs-q16
  3
   1 0 0   6 1
            1.797678483000         0.397390897661
            1.350924822400        -0.727889379781
            0.695689178100         0.072998241457
            0.254374787900         0.520384969839
            0.146623949300         0.151721919593
            0.072260965600         0.114493337288
   2 1 1   5 1
            1.659601390700         0.229919950254
            1.245517554200        -0.445296382527
            0.251887068300         0.697691846836
            0.146655893200         0.237187738173
            0.077299534200         0.453669496332
   3 2 2   2 1
            0.156413929200         0.745132599494
            0.042487880400         0.666916343457
#
Po qvSZPs-GTH-q24 q-vSZPs-GTH-q24 qvSZPs-UZH-q24 q-vSZPs-UZH-q24 qvSZPs-q24 q-vSZPs-q24
  3
   1 0 0   6 1
            1.797678483000         0.397390897661
            1.350924822400        -0.727889379781
            0.695689178100         0.072998241457
            0.254374787900         0.520384969839
            0.146623949300         0.151721919593
            0.072260965600         0.114493337288
   2 1 1   5 1
            1.659601390700         0.229919950254
            1.245517554200        -0.445296382527
            0.251887068300         0.697691846836
            0.146655893200         0.237187738173
            0.077299534200         0.453669496332
   3 2 2   2 1
            0.156413929200         0.745132599494
            0.042487880400         0.666916343457
#
At qvSZPs-GTH-q7 q-vSZPs-GTH-q7 qvSZPs-UZH-q7 q-vSZPs-UZH-q7 qvSZPs-q7 q-vSZPs-q7
  3
   1 0 0   6 1
            1.963883870900         0.330949863797
            1.306066688100        -0.751962434604
            0.546200682200         0.062912828738
            0.379279287800         0.303361717172
            0.233827950200         0.428220206005
            0.105225763500         0.213695541137
   2 1 1   5 1
            1.920280825700         0.110689849124
            1.232175992700        -0.331039221715
            0.326240395900         0.623602348835
            0.141549793300         0.637533237059
            0.064422218500         0.287805964427
   3 2 2   2 1
            0.190850370300         0.370332302836
            0.164320129400         0.928899340874
#
At qvSZPs-GTH-q17 q-vSZPs-GTH-q17 qvSZPs-UZH-q17 q-vSZPs-UZH-q17 qvSZPs-q17 q-vSZPs-q17
  3
   1 0 0   6 1
            1.963883870900         0.330949863797
            1.306066688100        -0.751962434604
            0.546200682200         0.062912828738
            0.379279287800         0.303361717172
            0.233827950200         0.428220206005
            0.105225763500         0.213695541137
   2 1 1   5 1
            1.920280825700         0.110689849124
            1.232175992700        -0.331039221715
            0.326240395900         0.623602348835
            0.141549793300         0.637533237059
            0.064422218500         0.287805964427
   3 2 2   2 1
            0.190850370300         0.370332302836
            0.164320129400         0.928899340874
#
At qvSZPs-GTH-q25 q-vSZPs-GTH-q25 qvSZPs-UZH-q25 q-vSZPs-UZH-q25 qvSZPs-q25 q-vSZPs-q25
  3
   1 0 0   6 1
            1.963883870900         0.330949863797
            1.306066688100        -0.751962434604
            0.546200682200         0.062912828738
            0.379279287800         0.303361717172
            0.233827950200         0.428220206005
            0.105225763500         0.213695541137
   2 1 1   5 1
            1.920280825700         0.110689849124
            1.232175992700        -0.331039221715
            0.326240395900         0.623602348835
            0.141549793300         0.637533237059
            0.064422218500         0.287805964427
   3 2 2   2 1
            0.190850370300         0.370332302836
            0.164320129400         0.928899340874
#
Rn qvSZPs-GTH-q8 q-vSZPs-GTH-q8 qvSZPs-UZH-q8 q-vSZPs-UZH-q8 qvSZPs-q8 q-vSZPs-q8
  3
   1 0 0   6 1
            1.962831680000         0.390065981534
            1.464210452700        -0.729566047310
            0.365189923900         0.507560928331
            0.215665779200         0.047026041015
            0.155879262600         0.227627381914
            0.095198892100         0.062754626636
   2 1 1   5 1
            1.755581068900         0.305024830016
            1.456266191400        -0.483644505755
            0.376033265300         0.503350949334
            0.160906587800         0.629624084884
            0.057968212400         0.152509601880
   3 2 2   2 1
            0.160481402000         0.002033648499
            0.024349518000         0.999997932135
#
Rn qvSZPs-GTH-q18 q-vSZPs-GTH-q18 qvSZPs-UZH-q18 q-vSZPs-UZH-q18 qvSZPs-q18 q-vSZPs-q18
  3
   1 0 0   6 1
            1.962831680000         0.390065981534
            1.464210452700        -0.729566047310
            0.365189923900         0.507560928331
            0.215665779200         0.047026041015
            0.155879262600         0.227627381914
            0.095198892100         0.062754626636
   2 1 1   5 1
            1.755581068900         0.305024830016
            1.456266191400        -0.483644505755
            0.376033265300         0.503350949334
            0.160906587800         0.629624084884
            0.057968212400         0.152509601880
   3 2 2   2 1
            0.160481402000         0.002033648499
            0.024349518000         0.999997932135
#
Rn qvSZPs-GTH-q26 q-vSZPs-GTH-q26 qvSZPs-UZH-q26 q-vSZPs-UZH-q26 qvSZPs-q26 q-vSZPs-q26
  3
   1 0 0   6 1
            1.962831680000         0.390065981534
            1.464210452700        -0.729566047310
            0.365189923900         0.507560928331
            0.215665779200         0.047026041015
            0.155879262600         0.227627381914
            0.095198892100         0.062754626636
   2 1 1   5 1
            1.755581068900         0.305024830016
            1.456266191400        -0.483644505755
            0.376033265300         0.503350949334
            0.160906587800         0.629624084884
            0.057968212400         0.152509601880
   3 2 2   2 1
            0.160481402000         0.002033648499
            0.024349518000         0.999997932135
#

# ---- PTB vDZP orbital basis for UZH GTH potentials ----
H vDZP-GTH-q1 vDZP-PTB-GTH-q1 vDZP-UZH-q1 vDZP-PTB-UZH-q1 vDZP-q1 vDZP-PTB-q1
  3
   1 0 0   5 1
           81.88678087503919         0.00842395417861
           12.23106386138820         0.06486128534979
            2.78681514418300         0.31140088361570
            0.77578667740777         0.98530808172095
            0.22343369278338         1.25681996288288
   1 0 0   3 1
            0.33109748364417         0.05229230079368
            0.10745535081248         0.10413930279425
            0.05068050836473         0.24511571435989
   2 1 1   2 1
            1.41704368419299         0.75976584861067
            0.29078140669742         1.52284462609757
#
He vDZP-GTH-q2 vDZP-PTB-GTH-q2 vDZP-UZH-q2 vDZP-PTB-UZH-q2 vDZP-q2 vDZP-PTB-q2
  3
   1 0 0   5 1
          248.30435926625600         0.00501379176140
           39.25735985998330         0.03498370152483
            9.29024287298661         0.16297319561686
            2.65067894829858         0.48969101637295
            0.81159626757882         0.93289935071268
   1 0 0   3 1
            0.26860716192784         0.22287746858775
            0.34502580594754         0.06211111284176
            0.10200712291145         0.09134242922581
   2 1 1   2 1
            1.31004171260559         0.69698798444154
            0.26500872537889         0.17848862875989
#
Li vDZP-GTH-q3 vDZP-PTB-GTH-q3 vDZP-UZH-q3 vDZP-PTB-UZH-q3 vDZP-q3 vDZP-PTB-q3
  5
   1 0 0   5 1
          261.50439739581600         0.00799583726755
           39.43506061259500         0.05875334576753
            8.90300262890217         0.25101291903217
            2.31212853673840         0.60113693039634
            0.67356074052229         0.47826612463372
   1 0 0   3 1
            0.63793791938520        -0.14647292411481
            0.06304721566501         0.82166105567420
            0.02013493090791         0.03477351480312
   1 0 0   2 1
            0.02918768367475         1.06264588349763
            0.01476282429905         1.09550971561002
   2 1 1   3 1
            1.60768580895060         0.08880833920607
            0.26131361418622         0.42406669983542
            0.07870444173143         0.73799824472803
   3 2 2   2 1
            0.24857370437093         0.69474351513714
            0.08841584908186         0.78871535345461
#
Be vDZP-GTH-q4 vDZP-PTB-GTH-q4 vDZP-UZH-q4 vDZP-PTB-UZH-q4 vDZP-q4 vDZP-PTB-q4
  5
   1 0 0   5 1
          510.03239806564198         0.00580518462478
           76.40555679742870         0.04334204612532
           17.25525050889280         0.18890814311390
            4.58601001828676         0.46963357221986
            1.35643051200906         0.39589657611661
   1 0 0   3 1
            1.62892337145868        -0.13449306713466
            0.15848497479145         0.94473733185514
            0.06390289245617         0.17103201207740
   1 0 0   2 1
            0.05698489884012         0.89365882553566
            0.02915465387546         1.46300049922308
   2 1 1   3 1
            2.65889413452842         0.02530216475914
            0.44937980083883         0.14490912494639
            0.11306688013306         0.20055201871709
   3 2 2   2 1
            0.45808208002677         0.88139592654472
            0.11829102321686         0.99342503664421
#
B vDZP-GTH-q3 vDZP-PTB-GTH-q3 vDZP-UZH-q3 vDZP-PTB-UZH-q3 vDZP-q3 vDZP-PTB-q3
  5
   1 0 0   4 1
            1.54861075096810        -0.37545353071664
            1.23087252721814         0.29638319473518
            0.28893616085515         0.40028113241145
            0.10594553464037         0.25233965051722
   1 0 0   2 1
            0.14943026614649         0.63190726294143
            0.04607837864674         0.71781975350449
   2 1 1   4 1
            6.82462564214998         0.03205505479756
            1.78684146788631         0.16862959040080
            0.52944568547566         0.50822245320857
            0.17128870317785         0.44920045512382
   2 1 1   2 1
            0.13785513039476         1.12276289196323
            0.04563892688705         1.68808792071780
   3 2 2   2 1
            0.68595292832141         1.20231771208041
            0.21717741025629         1.37813682980690
#
C vDZP-GTH-q4 vDZP-PTB-GTH-q4 vDZP-UZH-q4 vDZP-PTB-UZH-q4 vDZP-q4 vDZP-PTB-q4
  5
   1 0 0   4 1
            2.17498779033495        -0.27605891082269
            1.85222694651016         0.24015475111774
            0.45909848762323         0.19112486215349
            0.16912898646475         0.08729446745145
   1 0 0   2 1
            0.22745502261117         0.98793812669796
            0.08691859095664         1.01665078897703
   2 1 1   4 1
           12.87008533368370         0.02474143817992
            3.29544358304637         0.15219207985841
            0.97664571775614         0.44867429813524
            0.34842519711761         0.49475693831498
   2 1 1   2 1
            0.14648948107708         1.59441581131060
            0.06373391428869         0.80785914283144
   3 2 2   2 1
            1.02531792542753         0.83318786535254
            0.25024906451442         0.85826356733592
#
N vDZP-GTH-q5 vDZP-PTB-GTH-q5 vDZP-UZH-q5 vDZP-PTB-UZH-q5 vDZP-q5 vDZP-PTB-q5
  5
   1 0 0   4 1
            2.73537858293064        -0.23959379656147
            2.21980059872896         0.22498969336064
            0.59270867154473         0.19451776122880
            0.22740699988638         0.09812557569902
   1 0 0   2 1
            0.28043545682579         0.85351547747994
            0.10537339376694         1.13072724050669
   2 1 1   4 1
           19.10452847615550         0.01179263749908
            4.83101384630514         0.07290028722149
            1.45496950594046         0.20554276277829
            0.49477904650092         0.25835820661789
   2 1 1   2 1
            0.17853032611680         1.24214669794584
            0.06861865221407         0.42905102829302
   3 2 2   2 1
            1.23081295476094         1.26189414996331
            0.37085196919296         1.18165956692599
#
O vDZP-GTH-q6 vDZP-PTB-GTH-q6 vDZP-UZH-q6 vDZP-PTB-UZH-q6 vDZP-q6 vDZP-PTB-q6
  5
   1 0 0   4 1
            3.54364182058582        -0.26355429298817
            2.71271747549739         0.26567883142253
            0.68318452505815         0.27908729261221
            0.25597673918531         0.11286855623950
   1 0 0   2 1
            0.28650002536672         1.02759457732443
            0.12301201946533         1.15916651612494
   2 1 1   4 1
           27.00384182037720         0.01247015454502
            6.76265496618307         0.07452077623400
            2.01170459862768         0.21007989098078
            0.63442834894893         0.29131972872248
   2 1 1   2 1
            0.19906766039864         1.51241365952727
            0.06564362203855         0.31263497906987
   3 2 2   2 1
            1.36610934036736         0.85829423085870
            0.46193164127514         0.84603466614568
#
F vDZP-GTH-q7 vDZP-PTB-GTH-q7 vDZP-UZH-q7 vDZP-PTB-UZH-q7 vDZP-q7 vDZP-PTB-q7
  5
   1 0 0   4 1
            7.03486115137323        -0.44604641753685
            4.87293229591711         0.24112038256920
            1.33087832302556         0.66659330720410
            0.52546972266874         0.78191716128376
   1 0 0   2 1
            0.82126604756261         0.13554424399066
            0.19834118502249         0.99355401006557
   2 1 1   4 1
           35.52610003976820         0.02681824990141
            9.09357054256893         0.13359668105791
            2.68541322638608         0.37632635514438
            0.83367839508045         0.51668145238439
   2 1 1   2 1
            0.26227977068589         0.93122193117532
            0.08239624115084         0.20066987260176
   3 2 2   2 1
            1.45491245108326         1.36942872707533
            0.44649829203141         1.46656403545201
#
Ne vDZP-GTH-q8 vDZP-PTB-GTH-q8 vDZP-UZH-q8 vDZP-PTB-UZH-q8 vDZP-q8 vDZP-PTB-q8
  5
   1 0 0   4 1
            8.51102514240578        -0.34640773136983
            6.94470965231088         0.24242834675546
            1.56104165091165         0.45681060774429
            0.59949663278818         0.41399173981885
   1 0 0   2 1
            0.60951103517084         0.17566869501227
            0.24568303408090         0.85489292992392
   2 1 1   4 1
           56.11119078537350         0.01861719750926
           14.54205871706760         0.11996451145650
            4.46899283737483         0.35157009262504
            1.50478637239468         0.55275855694474
   2 1 1   2 1
            0.49880834661778         0.95961765518338
            0.15628325157572         0.29373981599490
   3 2 2   2 1
            1.67887704976757         0.56250136896444
            0.41606029001401         1.45068674612465
#
Na vDZP-GTH-q9 vDZP-PTB-GTH-q9 vDZP-UZH-q9 vDZP-PTB-UZH-q9 vDZP-q9 vDZP-PTB-q9
  6
   1 0 0   4 1
           17.85946997981430        -0.09463939536492
            1.74158949195129         0.45436809475866
            0.67121666241948         0.32611021963361
            0.35674867988370         0.09973334828796
   1 0 0   3 1
            1.04053223861911         1.12892845996114
            0.36358648117377         0.97127025441557
            0.03078866998041         0.72502127786566
   1 0 0   2 1
            0.06338859472303         0.46107470631247
            0.02788658995683         0.86521796775284
   2 1 1   5 1
           94.40890090774080         0.02228552040412
           22.83303534391110         0.14109481433581
            7.39230858998783         0.45645293583181
            2.70048152381410         0.81193170113891
            0.98004146972943         0.86563715920960
   2 1 1   3 1
            2.66729152820851        -0.00582446687886
            0.33696084315213         0.52476934210516
            0.05529798619057         0.01176723474665
   3 2 2   2 1
            0.31773628146180         0.21630574463780
            0.05039944891191         1.08452052835648
#
Mg vDZP-GTH-q10 vDZP-PTB-GTH-q10 vDZP-UZH-q10 vDZP-PTB-UZH-q10 vDZP-q10 vDZP-PTB-q10
  6
   1 0 0   4 1
           21.74607800086330        -0.10771241541720
            2.05469396368200         0.60503994512868
            0.77537820188092         0.35825321869125
            0.64675505340166         0.12445658744773
   1 0 0   3 1
            1.51803587406501         0.95332530352338
            0.62664847240920         0.88505284670920
            0.06134246905614         0.66320059740563
   1 0 0   2 1
            0.11452578174218         1.10282115370117
            0.04914379866761         1.26282719703476
   2 1 1   5 1
           98.14992157777129         0.02003053229727
           22.98690177462540         0.13064596160131
            7.07370441331353         0.41630590343910
            2.35746336033344         0.66462157493623
            0.77673708159032         0.46095327426371
   2 1 1   3 1
            3.77130181095380        -0.00803293456203
            0.18916687464179         0.34036968859709
            0.06841987929329         0.26012785633008
   3 2 2   2 1
            0.40180662503999         0.84662289296596
            0.10244113400095         1.53389345856966
#
Al vDZP-GTH-q3 vDZP-PTB-GTH-q3 vDZP-UZH-q3 vDZP-PTB-UZH-q3 vDZP-q3 vDZP-PTB-q3
  5
   1 0 0   4 1
            3.30705795086213         0.03588767938384
            1.06499066661075        -0.30143432313524
            0.21709496760670         0.40800367414719
            0.10339905079470         0.50494456523572
   1 0 0   2 1
            0.09132654922257         0.26725012333185
            0.04038468470950         0.42409378553763
   2 1 1   4 1
            0.96697921966347        -0.09359351012930
            0.41860269843199         0.18604191156164
            0.17901646200936         0.36457185932528
            0.09277453202580         0.27008309368706
   2 1 1   2 1
            0.10127527806925         0.56252265903379
            0.03290369192678         0.82951593989698
   3 2 2   2 1
            0.65352050584623         0.54509770548108
            0.17796413083230         1.14922825011090
#
Si vDZP-GTH-q4 vDZP-PTB-GTH-q4 vDZP-UZH-q4 vDZP-PTB-UZH-q4 vDZP-q4 vDZP-PTB-q4
  5
   1 0 0   4 1
            4.20606176381803         0.03604610037862
            1.37902975367020        -0.27862165984154
            0.26574019355472         0.51403230455367
            0.11250269753670         0.36577755197863
   1 0 0   2 1
            0.13367361679371         0.25186067864589
            0.04829785943970         1.00191221723095
   2 1 1   4 1
            1.36750545941224        -0.04531179416966
            0.39131494321186         0.28858138527675
            0.15822893072094         0.37226454445807
            0.06893766722474         0.10077657560893
   2 1 1   2 1
            0.11781744822319         0.51178430441517
            0.04106765592454         0.79069918223961
   3 2 2   2 1
            1.22980328585714         0.31749052621238
            0.30406284585547         1.16080210236846
#
P vDZP-GTH-q5 vDZP-PTB-GTH-q5 vDZP-UZH-q5 vDZP-PTB-UZH-q5 vDZP-q5 vDZP-PTB-q5
  5
   1 0 0   4 1
            7.49269091295999         0.03621125693781
            1.52097969250444        -0.41034652462210
            0.38998646951657         0.59043116049692
            0.18594424689599         0.70002646913257
   1 0 0   2 1
            0.42627743134199         0.06694620960371
            0.07564115540051         0.66286897763832
   2 1 1   4 1
            1.18244980241771        -0.07070833458566
            0.71681512223331         0.17979813743734
            0.28435600284223         0.34718553749919
            0.11984466292940         0.18615610343883
   2 1 1   2 1
            0.10417473689883         0.64217367817929
            0.04299654065014         0.59297948933163
   3 2 2   2 1
            1.69516296042313         0.25747065743612
            0.35182252864206         1.08909414313551
#
S vDZP-GTH-q6 vDZP-PTB-GTH-q6 vDZP-UZH-q6 vDZP-PTB-UZH-q6 vDZP-q6 vDZP-PTB-q6
  5
   1 0 0   4 1
            7.60135526947176         0.04644466433542
            1.92712121872335        -0.46442180715485
            0.52145630746474         0.57589067086660
            0.23053224051006         0.82658450252686
   1 0 0   2 1
            0.47000534787900         0.13607210601896
            0.08346921042208         1.01912141596202
   2 1 1   4 1
            1.71163925783715        -0.17215067761609
            1.15727616017168         0.25651038118084
            0.44972707761922         0.51412229726856
            0.19529072869880         0.44989813164736
   2 1 1   2 1
            0.12104241085644         0.70005749366236
            0.06104391531999         0.82446548191468
   3 2 2   2 1
            1.77775111826807         0.30198332880138
            0.40446706955369         1.09879294592768
#
Cl vDZP-GTH-q7 vDZP-PTB-GTH-q7 vDZP-UZH-q7 vDZP-PTB-UZH-q7 vDZP-q7 vDZP-PTB-q7
  5
   1 0 0   4 1
           14.15113141318050         0.01760365583012
            2.05769774375499        -0.37908068634274
            0.82572087485037         0.37402349912468
            0.30244290180382         0.72100329995313
   1 0 0   2 1
            0.51488845251473         0.17008920140210
            0.09870632299483         0.94511357706739
   2 1 1   4 1
            2.84417427125301        -0.13576249516049
            1.37751562857898         0.22343575370927
            0.61912393312352         0.72815112650846
            0.26192209567950         0.81901705790251
   2 1 1   2 1
            0.12642178872370         0.99071791873308
            0.07398804600787         0.69660799963025
   3 2 2   2 1
            1.92221081473857         0.58862961166418
            0.42831873667227         1.93785192711723
#
Ar vDZP-GTH-q8 vDZP-PTB-GTH-q8 vDZP-UZH-q8 vDZP-PTB-UZH-q8 vDZP-q8 vDZP-PTB-q8
  5
   1 0 0   4 1
           14.94010112232230         0.01152186122814
            2.24316563628522        -0.55896808085447
            1.43897092657767         0.47334234149991
            0.40687648629046         0.63129326500678
   1 0 0   2 1
            0.44025965276350         0.06924930830981
            0.16187587354199         1.60302354292126
   2 1 1   4 1
            3.16548451116550        -0.07726166651067
            1.11111171980347         0.47118173303039
            0.41464943758065         0.75105910231543
            0.16261649431118         0.22320116294427
   2 1 1   2 1
            0.15434779570894         1.47256477417099
            0.07127089150120         0.58112694096850
   3 2 2   2 1
            1.46781303780062         0.64446135417555
            0.39939640339119         1.40142058317382
#
K vDZP-GTH-q9 vDZP-PTB-GTH-q9 vDZP-UZH-q9 vDZP-PTB-UZH-q9 vDZP-q9 vDZP-PTB-q9
  6
   1 0 0   4 1
            2.71268213186389        -0.13812051119136
            0.95952715923748         0.18364778713961
            0.41586139628557         0.05450415142759
            0.22242831782016         0.07999307219833
   1 0 0   3 1
            0.74583010869989        -0.01368488452055
            0.44773652202939         0.50756962484200
            0.02724296719349         0.91253620540386
   1 0 0   2 1
            0.03266068070296         0.73967270047434
            0.02435181022705         1.10428898000803
   2 1 1   4 1
           10.06549914453940        -0.03849153742757
            0.97401948104263         0.67433239386191
            0.37459637225509         0.61253823587090
            0.15692152090301         0.17252094323315
   2 1 1   3 1
            4.04201208801782        -0.00705982310044
            0.08725909260753         0.07780637442196
            0.05471425780053         0.68853753377834
   3 2 2   2 1
            0.86663859289364         0.50204010896671
            0.15708599785399         1.05527187844400
#
Ca vDZP-GTH-q10 vDZP-PTB-GTH-q10 vDZP-UZH-q10 vDZP-PTB-UZH-q10 vDZP-q10 vDZP-PTB-q10
  6
   1 0 0   4 1
            2.71930135153458        -0.07897864482061
            1.88327565136819         0.18711586344335
            0.64216390359787         0.58957864172118
            0.33648786731667         0.37080423463247
   1 0 0   3 1
            3.02632432033794        -0.23362181761313
            1.24228322650867         0.16601101841554
            0.05348834828340         0.03585105567509
   1 0 0   2 1
            0.05837336749375         1.09442698040036
            0.02992164232577         0.43115660500722
   2 1 1   4 1
           10.41151303960340        -0.02176110522196
            1.18120185294167         0.30781915463470
            0.47280654519721         0.26925698533868
            0.20636367131387         0.06840670192198
   2 1 1   3 1
            1.10396352552999        -0.00936677856047
            0.09221062601395         0.58863517499775
            0.00765505912495         0.02865501889190
   3 2 2   2 1
            1.46657234954632         0.33301087727369
            0.26154728943136         0.74033984673259
#
Sc vDZP-GTH-q11 vDZP-PTB-GTH-q11 vDZP-UZH-q11 vDZP-PTB-UZH-q11 vDZP-q11 vDZP-PTB-q11
  7
   1 0 0   5 1
           12.89452114022200         0.07923699646347
            5.07168627418082        -0.45807862567480
            1.16718189957694         0.33641287674614
            0.66394201322798         0.33273637780030
            0.30965457970730         0.21145691530569
   1 0 0   2 1
            1.04088576779648         0.46397829100782
            0.56809700164918         0.43514857722701
   1 0 0   2 1
            0.07061769277942         1.48251591467513
            0.02724840621890         0.63934811170800
   2 1 1   4 1
            6.36857849626273        -0.09354587372662
            1.94900409744236         0.34123805016260
            0.81530169456139         0.60118000938959
            0.31381595982668         0.26960349575556
   2 1 1   2 1
            0.03771043051692         0.93603716388850
            0.02684170477774         1.28831616027965
   3 2 2   4 1
           11.68722591127100         0.04865778335300
            3.31475837972588         0.20222502882277
            1.04633673839655         0.39678723176428
            0.31396807314404         0.45851268200358
   3 2 2   2 1
            0.09636953522382         0.70504143649812
            0.03105405678271         0.57836089330312
#
Ti vDZP-GTH-q12 vDZP-PTB-GTH-q12 vDZP-UZH-q12 vDZP-PTB-UZH-q12 vDZP-q12 vDZP-PTB-q12
  7
   1 0 0   5 1
           16.46134788675210         0.08201677493479
            5.37138681552348        -0.65048044085125
            1.44898575691435         0.53870653793520
            0.63891955934770         0.45044095315703
            0.24161915133880         0.15499586634672
   1 0 0   2 1
            1.05173644251615         0.62775679474626
            0.58992828825718         0.48716457489837
   1 0 0   2 1
            0.07525074581042         1.66378052718901
            0.02660202523021         0.39968906395030
   2 1 1   4 1
            7.12242965550207        -0.03787369172284
            2.38315383662594         0.11497528075335
            1.02887854776570         0.22123330808835
            0.41606996153588         0.11754220011222
   2 1 1   2 1
            0.17944071963401         1.26989374712469
            0.07670428426546         0.58524657878037
   3 2 2   4 1
           16.28552309723140         0.05771735967735
            4.90318642998702         0.25338842870901
            1.64428901493411         0.54586269955500
            0.52528154771509         0.67460179985786
   3 2 2   2 1
            0.17009663919737         1.16623284190010
            0.06410352526669         0.62264213138316
#
V vDZP-GTH-q13 vDZP-PTB-GTH-q13 vDZP-UZH-q13 vDZP-PTB-UZH-q13 vDZP-q13 vDZP-PTB-q13
  7
   1 0 0   5 1
           16.25531926521180         0.09402370898305
            6.40506312769583        -0.53718705694831
            1.45716362496246         0.52025892664288
            0.49992642466690         0.12252074137193
            0.30118541702128         0.07273667420759
   1 0 0   2 1
            1.01260541604380         1.09855032467762
            0.54788695292482         0.60730336181495
   1 0 0   2 1
            0.09093367929907         1.59518955219796
            0.03674429261580         0.94850869678013
   2 1 1   4 1
            8.10309857226256        -0.08123431841579
            2.62983655913050         0.26700427583099
            1.11220239039225         0.48598245814955
            0.42981251093676         0.23801739651105
   2 1 1   2 1
            0.13417034420797         0.86531921156491
            0.04554173170442         1.00151212422183
   3 2 2   4 1
           20.99185214759670         0.04794070901416
            6.48297379515194         0.21806836847764
            2.25960797765775         0.48300862482201
            0.78738846133006         0.59600556861363
   3 2 2   2 1
            0.26629963537684         0.87332200929533
            0.08584877524188         0.41245536803659
#
Cr vDZP-GTH-q14 vDZP-PTB-GTH-q14 vDZP-UZH-q14 vDZP-PTB-UZH-q14 vDZP-q14 vDZP-PTB-q14
  7
   1 0 0   5 1
           19.32680787292250         0.11592874651912
            6.89535208009382        -0.78998158930167
            1.86964026714073         0.56370733898981
            0.84380644554559         0.44519726797582
            0.31158687748316         0.07064862014291
   1 0 0   2 1
            1.22614416711021         1.43041269371650
            0.53678436167190         0.81720056104164
   1 0 0   2 1
            0.10368745519101         1.27836223651230
            0.04045394357016         0.99883813719587
   2 1 1   4 1
            9.27497330456402        -0.06762688213562
            2.83480321710681         0.24849124843791
            1.18867190475823         0.41830925099012
            0.45267245247641         0.19064323795998
   2 1 1   2 1
            0.09994344191099         0.57280581745567
            0.02069064988174         0.82984610927155
   3 2 2   4 1
           25.34351844331460         0.04340925018928
            7.83719467408049         0.20857175145185
            2.70373099074046         0.48128031587781
            0.92332933226103         0.60016772944583
   3 2 2   2 1
            0.30172903723061         1.14871930649289
            0.09565911822765         0.61042813438153
#
Mn vDZP-GTH-q15 vDZP-PTB-GTH-q15 vDZP-UZH-q15 vDZP-PTB-UZH-q15 vDZP-q15 vDZP-PTB-q15
  7
   1 0 0   5 1
           20.84322807999790         0.10340237715420
            7.76041941914538        -0.65614163775938
            1.90451641354455         0.66579878807813
            1.00132043389870         0.39652242850330
            0.48193747251495         0.29202415473311
   1 0 0   2 1
            1.26826842040354         1.56549703836760
            0.85724121387644         1.20132318880764
   1 0 0   2 1
            0.10914002879329         1.45774187387780
            0.04531899244631         1.35768054818473
   2 1 1   4 1
           10.51243686814350        -0.09755699918071
            3.09907313576863         0.37516917268618
            1.32294883198538         0.59722785164620
            0.52705531006680         0.27972639246436
   2 1 1   2 1
            0.34450706025663         0.62379051234458
            0.11836136129767         1.25085230963117
   3 2 2   4 1
           31.81822745699660         0.04704772648557
           10.03742166665480         0.23835879351996
            3.53451641789282         0.57957695805034
            1.24976177337415         0.75547266621107
   3 2 2   2 1
            0.41966381216195         1.10745664921737
            0.13148965843529         0.62590728369744
#
Fe vDZP-GTH-q16 vDZP-PTB-GTH-q16 vDZP-UZH-q16 vDZP-PTB-UZH-q16 vDZP-q16 vDZP-PTB-q16
  7
   1 0 0   5 1
           22.35865515118280         0.09287154036702
            8.72672225604981        -0.54317568789946
            1.88351134604455         0.78800819137279
            0.89809882976288         0.50611833990866
            0.49914149535421         0.15146793789376
   1 0 0   2 1
            1.41467273311613         1.04809087853283
            0.83896996170349         0.70194470861747
   1 0 0   2 1
            0.12696718990040         1.11058466398698
            0.04829768698887         0.96018311442435
   2 1 1   4 1
           11.73733579650450        -0.08745707152439
            3.49174055835389         0.32119493033926
            1.51967031405616         0.52591423049659
            0.61223024503663         0.26369095476061
   2 1 1   2 1
            0.27074051274984         0.80289064629775
            0.11095652050469         0.61497188931359
   3 2 2   4 1
           37.60243651355110         0.03578806279288
           11.98046902143030         0.18525683650375
            4.31586284795567         0.45551803442694
            1.58381766186133         0.61035560022035
   3 2 2   2 1
            0.54835725627918         1.54496607678618
            0.17147736060513         0.81047684997795
#
Co vDZP-GTH-q17 vDZP-PTB-GTH-q17 vDZP-UZH-q17 vDZP-PTB-UZH-q17 vDZP-q17 vDZP-PTB-q17
  7
   1 0 0   5 1
           25.33531569447650         0.08776685596088
            9.48835505477761        -0.55069271662884
            2.10577086610054         0.73120856924089
            1.15274156309727         0.43559123122510
            0.60013465190793         0.26097232685217
   1 0 0   2 1
            1.72859304839944         0.74373875233590
            0.96513540878636         0.94414997295050
   1 0 0   2 1
            0.13821753788742         1.15225617871082
            0.04879961952518         1.32278851401508
   2 1 1   4 1
           13.01984682559910        -0.10668776882248
            3.89856912823919         0.37928721119862
            1.69191204174019         0.64607046769059
            0.66319432699957         0.32108002284182
   2 1 1   2 1
            0.26623373627113         0.51671355194193
            0.08768260228564         0.61054482275711
   3 2 2   4 1
           46.46718650209140         0.03673893665689
           14.84472796296420         0.20640098691930
            5.32478191031256         0.54596470396213
            1.94619301996447         0.77231395163112
   3 2 2   2 1
            0.66369776655582         1.76484125813582
            0.19753870309246         0.98195944623687
#
Ni vDZP-GTH-q18 vDZP-PTB-GTH-q18 vDZP-UZH-q18 vDZP-PTB-UZH-q18 vDZP-q18 vDZP-PTB-q18
  7
   1 0 0   5 1
           28.11730732894420         0.09505420404104
           10.32311414620670        -0.61935237895683
            2.26650133474259         0.90304606755268
            1.03169833800425         0.57266997193393
            0.42976311647691         0.10793611213821
   1 0 0   2 1
            1.58509611644903         0.53647182118217
            0.92768842598673         0.46647052779655
   1 0 0   2 1
            0.14272398169983         1.05293513267987
            0.05228856232057         0.85222907122763
   2 1 1   4 1
           14.64926342737870        -0.12357223482610
            4.48724855527863         0.37304939848460
            1.92652220191562         0.66661869449638
            0.75557118236434         0.33435769229532
   2 1 1   2 1
            0.32092333803000         1.10979690050587
            0.12459743876234         1.06398612524992
   3 2 2   4 1
           55.79559687333020         0.03201625499259
           17.67171344282220         0.20655852433551
            6.45888437059916         0.57688073656840
            2.37544958031449         0.85363297804915
   3 2 2   2 1
            0.80859790677381         1.57700498329423
            0.23925620943067         0.90405726655559
#
Cu vDZP-GTH-q19 vDZP-PTB-GTH-q19 vDZP-UZH-q19 vDZP-PTB-UZH-q19 vDZP-q19 vDZP-PTB-q19
  7
   1 0 0   5 1
           30.09565446477430         0.08811100245007
           11.18946541511800        -0.56686461828878
            2.54145211839000         0.69060161301736
            1.29051076402860         0.52664298701505
            0.60896181565802         0.13222784236211
   1 0 0   2 1
            2.01843047851479         0.94619474434395
            0.84913897488191         0.96185281588315
   1 0 0   2 1
            0.15560925102827         1.20550559118007
            0.05510026391554         1.04027558121653
   2 1 1   4 1
           16.19791689693360        -0.10594597322005
            4.48790831337277         0.42541791364921
            1.92836607764851         0.64263277956942
            0.76394323655501         0.29231792166928
   2 1 1   2 1
            0.29984022763203         1.29285682139400
            0.11677340339326         1.06120557154719
   3 2 2   4 1
           60.48729793891020         0.03202632734980
           19.23304640566050         0.18697491741799
            6.96509068982110         0.51938775298484
            2.56890337251232         0.76242581965170
   3 2 2   2 1
            0.87580962813436         0.87787766351299
            0.25769050917147         0.51299172870086
#
Zn vDZP-GTH-q20 vDZP-PTB-GTH-q20 vDZP-UZH-q20 vDZP-PTB-UZH-q20 vDZP-q20 vDZP-PTB-q20
  7
   1 0 0   5 1
           33.87447371437470         0.07127761693686
           11.97262295636660        -0.50675872975392
            2.96171439597715         0.49337899869900
            1.82998191248983         0.30731214036636
            0.87055473573161         0.24910839786817
   1 0 0   2 1
            1.73920386067503         1.18912658403212
            0.78495810680974         0.34049714968923
   1 0 0   2 1
            0.17377748283136         1.05616686670472
            0.05893615761193         0.87558410260792
   2 1 1   4 1
           18.42885273653570        -0.07278325437048
            4.75782851619193         0.32048700618572
            2.05150491110326         0.46495512339692
            0.81129009016039         0.20207242769481
   2 1 1   2 1
            0.28032952742908         0.29068071343548
            0.07496762940887         0.34083269265429
   3 2 2   4 1
           69.34578392022691         0.03889447576834
           22.34464346303680         0.22593676000861
            8.23007374675793         0.62519911729520
            3.12960763764773         0.94243031594423
   3 2 2   2 1
            1.11544534423824         1.30003906394749
            0.35043843385345         0.72542857805596
#
Ga vDZP-GTH-q3 vDZP-PTB-GTH-q3 vDZP-UZH-q3 vDZP-PTB-UZH-q3 vDZP-q3 vDZP-PTB-q3
  5
   1 0 0   4 1
            3.46185109971212         0.08659663469784
            1.67337427182544        -0.27058736269094
            0.21131836801432         0.35181939401313
            0.09782815329546         0.28541668684396
   1 0 0   2 1
            0.15162701073289         0.29790265007581
            0.05560437627029         0.81145921232639
   2 1 1   4 1
            1.22407219691830        -0.14233424735505
            0.57034068702107         0.15630095727994
            0.17634218191662         0.41423347326142
            0.06933812705901         0.18720256434825
   2 1 1   2 1
            0.10320214866793         0.78168020065060
            0.03252136206804         1.13990410234366
   3 2 2   2 1
            0.43413675870495         0.63072429303666
            0.13643695079330         1.73537644005718
#
Ge vDZP-GTH-q4 vDZP-PTB-GTH-q4 vDZP-UZH-q4 vDZP-PTB-UZH-q4 vDZP-q4 vDZP-PTB-q4
  5
   1 0 0   4 1
            3.21749610168837         0.22095701343811
            1.91816657264174        -0.51168375371952
            0.21490386425982         0.83162235501322
            0.06758993032021         0.20501895867410
   1 0 0   2 1
            0.46569625876095         0.24271531618674
            0.06017402512043         1.57035045611352
   2 1 1   4 1
            3.91417955704658         0.07144887754424
            2.34646863055538        -0.19601425378984
            0.27386111194410         0.72247797662707
            0.10599007127312         0.31980908157058
   2 1 1   2 1
            0.20213506516904         0.21931759624270
            0.06121468711745         1.97374282491186
   3 2 2   2 1
            0.37000963311976         1.07125850340278
            0.13297620139785         1.06036050672317
#
As vDZP-GTH-q5 vDZP-PTB-GTH-q5 vDZP-UZH-q5 vDZP-PTB-UZH-q5 vDZP-q5 vDZP-PTB-q5
  5
   1 0 0   4 1
            3.50769364294998         0.15803185398044
            1.88838302598839        -0.49080579597433
            0.28811124045649         0.72954089315857
            0.14318008806770         0.32667357975918
   1 0 0   2 1
            0.35243851422572         0.16879237413168
            0.07312649850488         1.05877971083647
   2 1 1   4 1
            1.35825540905118        -0.16506103856338
            0.93464770281400         0.15411956845017
            0.29265443765106         0.26975277091687
            0.12292731860645         0.17450922823786
   2 1 1   2 1
            0.11876753713984         0.87868099769832
            0.04760510369711         1.16234289218782
   3 2 2   2 1
            0.31448793886867         0.83154753912943
            0.21849396522834         1.03342386774801
#
Se vDZP-GTH-q6 vDZP-PTB-GTH-q6 vDZP-UZH-q6 vDZP-PTB-UZH-q6 vDZP-q6 vDZP-PTB-q6
  5
   1 0 0   4 1
            3.65086573059395         0.23145744496794
            2.21090360918759        -0.56353385515515
            0.33517092815025         0.72986207384507
            0.15163883673408         0.31565716524495
   1 0 0   2 1
            0.59963882217341         0.12602515734170
            0.07558213426426         1.06925257904117
   2 1 1   4 1
            1.50714825743864        -0.16260542240832
            0.91336741463632         0.18349991828310
            0.34122197869817         0.37223532153097
            0.15043258727079         0.27195900360554
   2 1 1   2 1
            0.15708285449003         0.53081630571170
            0.06127242688510         1.59839118385804
   3 2 2   2 1
            0.36759750262963         1.06090973518118
            0.22301318743399         0.89301458429176
#
Br vDZP-GTH-q7 vDZP-PTB-GTH-q7 vDZP-UZH-q7 vDZP-PTB-UZH-q7 vDZP-q7 vDZP-PTB-q7
  5
   1 0 0   4 1
            4.21401463500795         0.16569202846995
            2.41218869859389        -0.47687719321811
            0.39106702701028         0.71029960203002
            0.16467425270450         0.36209303636074
   1 0 0   2 1
            0.48559966469697         0.14582587759269
            0.07459899460523         0.76808735869010
   2 1 1   4 1
            1.78994725314441        -0.20735682820073
            1.29203618741253         0.18610796920433
            0.44938325215957         0.33252433319548
            0.19459016732936         0.30377872105373
   2 1 1   2 1
            0.12275975996677         0.80413473419575
            0.06673862573068         1.31991952670031
   3 2 2   2 1
            0.44243814664273         1.15867276826642
            0.24584901879465         1.02136622781895
#
Kr vDZP-GTH-q8 vDZP-PTB-GTH-q8 vDZP-UZH-q8 vDZP-PTB-UZH-q8 vDZP-q8 vDZP-PTB-q8
  5
   1 0 0   4 1
            3.98651144063636         0.29055995702397
            2.94390174479250        -0.51611102992428
            0.42990186672738         0.56497158669987
            0.15182183889992         0.27235169491091
   1 0 0   2 1
            0.33471181296761         0.19305421033490
            0.11174516891054         0.89754636177110
   2 1 1   4 1
            2.15395768619348        -0.17856542389596
            1.28374868554691         0.17271544361119
            0.50168556173059         0.40070071592933
            0.23752026797651         0.31652819861337
   2 1 1   2 1
            0.14011316117246         0.94035713814503
            0.08920490864238         0.84692222477523
   3 2 2   2 1
            0.52630128530986         1.17441832861239
            0.20310026678650         0.97530288483346
#
Rb vDZP-GTH-q9 vDZP-PTB-GTH-q9 vDZP-UZH-q9 vDZP-PTB-UZH-q9 vDZP-q9 vDZP-PTB-q9
  6
   1 0 0   4 1
            3.86999959984632         0.12231988858184
            2.13090463610438        -0.66684683108045
            0.73800202678327         0.41804690608718
            0.40952874283887         0.51612189822251
   1 0 0   3 1
            1.35058072675788         0.44122899316401
            0.67212346140712        -0.18018319114277
            0.21502604019343         0.94098889720967
   1 0 0   2 1
            0.04172757369765         0.19482323237311
            0.01817308536683         0.24078490810816
   2 1 1   4 1
            2.76741041751077        -0.10099146105584
            0.69027927251483         0.52310211233006
            0.27213468648757         0.50958615625713
            0.09986131422309         0.10528135689940
   2 1 1   3 1
            0.48386842591808        -0.02196731939275
            0.06499033909308         0.19219856324390
            0.02634416703649         0.25477880308736
   3 2 2   2 1
            0.48295290859184         0.81491894565440
            0.11859968012606         1.16027248170116
#
Sr vDZP-GTH-q10 vDZP-PTB-GTH-q10 vDZP-UZH-q10 vDZP-PTB-UZH-q10 vDZP-q10 vDZP-PTB-q10
  6
   1 0 0   4 1
            1.69270663745913        -0.39334174806658
            1.14979578577212         0.20840781014777
            0.66913147793161         0.41056047376593
            0.24822007672481         0.22356894003551
   1 0 0   3 1
            1.88626651140734         0.40323519358777
            0.40016439015645        -0.07724477489898
            0.08792861720296         0.26402051584613
   1 0 0   2 1
            0.05944319681039         1.17340953385752
            0.02858468610238         1.21411471117826
   2 1 1   4 1
            2.80664769930485        -0.05921092742353
            0.81937652470222         0.26353148300848
            0.34815826779669         0.25383919808324
            0.14600364696159         0.05472601882252
   2 1 1   3 1
            0.93515049825408        -0.00991794392130
            0.08778635697440         0.73145492127529
            0.04542099313277         0.22791628350655
   3 2 2   2 1
            0.68840635289951         0.49090353771225
            0.19270464701530         0.76366268445169
#
Y vDZP-GTH-q11 vDZP-PTB-GTH-q11 vDZP-UZH-q11 vDZP-PTB-UZH-q11 vDZP-q11 vDZP-PTB-q11
  7
   1 0 0   5 1
            7.29654989194619         0.19534178978411
            2.68842218559690        -1.83835917184801
            2.17764257238795         1.02395089889483
            0.65909068358307         0.67761251620615
            0.31800031309769         0.28680325376023
   1 0 0   2 1
            0.67481295746716         0.58566528548773
            0.29035336261769         0.29207205207443
   1 0 0   2 1
            0.06166782374830         1.47113978437390
            0.02567351221369         0.43408928593016
   2 1 1   4 1
            2.41307390589255        -0.89610990134957
            1.99111833544543         0.92091488321138
            0.64488502899150         0.74724980099414
            0.26215814951495         0.35896757824514
   2 1 1   2 1
            0.09025183444311         1.58769459978120
            0.03873454087454         1.12498916980766
   3 2 2   4 1
            2.64066708228761        -0.05141032946211
            1.37723169328023         0.25969160973762
            0.52117030350539         0.64767013497710
            0.19131794567712         0.72277203217054
   3 2 2   2 1
            0.06656117195178         0.63557553406114
            0.02105871401347         0.21319885282143
#
Zr vDZP-GTH-q12 vDZP-PTB-GTH-q12 vDZP-UZH-q12 vDZP-PTB-UZH-q12 vDZP-q12 vDZP-PTB-q12
  7
   1 0 0   5 1
            7.63675545943527         0.22559438781648
            3.05946060471512        -2.02177093459625
            2.73428946974456         1.04398776152413
            0.97403052983096         0.64948151364621
            0.32123776818539         0.27197854275399
   1 0 0   2 1
            0.66611831332791         0.61009837266847
            0.38200492999908         0.27936680171962
   1 0 0   2 1
            0.07863898503707         1.57300006927570
            0.03097770783604         0.59116947872910
   2 1 1   4 1
            2.63530453671629        -0.85120362833934
            2.13970167296543         0.89212046900265
            0.70127026188674         0.71047775331723
            0.29411757582580         0.29252821350465
   2 1 1   2 1
            0.15396346103806         1.43856000940763
            0.08826210119058         0.99572538749440
   3 2 2   4 1
            3.20104757766065        -0.03889249843554
            1.48504872798750         0.27569246819648
            0.55957425351659         0.64643650954368
            0.19661886886770         0.66653611342300
   3 2 2   2 1
            0.06245181540084         0.64994800435071
            0.02032592875613         0.19480984560693
#
Nb vDZP-GTH-q13 vDZP-PTB-GTH-q13 vDZP-UZH-q13 vDZP-PTB-UZH-q13 vDZP-q13 vDZP-PTB-q13
  7
   1 0 0   5 1
            8.22690767236979         0.17386921456277
            5.25885393823949         0.40071642161065
            4.02490900299962        -1.29244288314349
            1.19512996322882         0.47428687238234
            0.35966573446372         0.27291898570743
   1 0 0   2 1
            0.78097211161377         0.60945662482697
            0.46814978991361         0.30991052896299
   1 0 0   2 1
            0.08433029999932         1.27084805125266
            0.03491866662395         0.59118963113149
   2 1 1   4 1
            2.87135159000081        -0.87321747392709
            2.28093559668165         0.94054348226076
            0.74355149074568         0.76023725835376
            0.29806925026679         0.26955648551301
   2 1 1   2 1
            0.15259560550424         1.40168766194748
            0.06832745466076         1.01058269664647
   3 2 2   4 1
            3.36788030634544        -0.05167260587218
            1.75656478130190         0.28451625178874
            0.65873501769308         0.66423293358170
            0.23105939639702         0.65882532179388
   3 2 2   2 1
            0.07221622637410         0.69696674973301
            0.02480109991976         0.19662414764575
#
Mo vDZP-GTH-q14 vDZP-PTB-GTH-q14 vDZP-UZH-q14 vDZP-PTB-UZH-q14 vDZP-q14 vDZP-PTB-q14
  7
   1 0 0   5 1
            9.67375251286961         0.29363953979115
            3.57228214673257        -1.85761487110836
            1.53084975489364         1.22486412851556
            0.63199683983881         0.66045610615251
            0.28883932947259         0.29615335223903
   1 0 0   2 1
            0.77841799693620         0.60363241442915
            0.53417265281335         0.30187130604015
   1 0 0   2 1
            0.08762652515148         1.31708778367169
            0.03356268185884         0.58074317936252
   2 1 1   4 1
            3.09370767336553        -0.82663157747408
            2.40364187335152         0.90067486079013
            0.81824031490288         0.71182851769390
            0.33620587998724         0.26948992931805
   2 1 1   2 1
            0.14193616200258         1.30312958917723
            0.05114205787154         1.26288165576363
   3 2 2   4 1
            4.24870663770851        -0.05604742198312
            2.04307670113320         0.26048207887917
            0.81921959919475         0.64589177845706
            0.30062328717601         0.68075817071301
   3 2 2   2 1
            0.09992493985919         0.93416755248897
            0.03383758535234         0.22596285555592
#
Tc vDZP-GTH-q15 vDZP-PTB-GTH-q15 vDZP-UZH-q15 vDZP-PTB-UZH-q15 vDZP-q15 vDZP-PTB-q15
  7
   1 0 0   5 1
            8.73448823153519         0.19182914156267
            3.83589909506826        -2.10577511652423
            3.46975174468470         1.51846664758605
            0.96712451616488         0.73229268559988
            0.42418260399305         0.27413963335353
   1 0 0   2 1
            1.00392452722883         0.60161333201991
            0.54301311632525         0.29514500985930
   1 0 0   2 1
            0.08809423699338         1.30125653582761
            0.03368277486031         0.53782365393398
   2 1 1   4 1
            3.40502398494387        -0.85498299673350
            2.56426507400282         0.95931900957471
            0.86358162517156         0.82884661520619
            0.33741102999526         0.25514452607012
   2 1 1   2 1
            0.09179551766702         1.10146698778283
            0.02987928277402         1.93711548462029
   3 2 2   4 1
            5.09773211075838        -0.05466767994065
            2.18713833316195         0.26418241009227
            0.97662447591317         0.62383100140671
            0.39605193495866         0.66336165080726
   3 2 2   2 1
            0.14811004054181         1.02980235572100
            0.05968869159526         0.26139356025834
#
Ru vDZP-GTH-q16 vDZP-PTB-GTH-q16 vDZP-UZH-q16 vDZP-PTB-UZH-q16 vDZP-q16 vDZP-PTB-q16
  7
   1 0 0   5 1
            9.69650048143034         0.17636899594412
            3.98649020767744        -1.98131183005159
            3.50727055421684         1.41377078134131
            1.04439863803745         0.65725409085250
            0.44875191998693         0.25239337413815
   1 0 0   2 1
            1.06440304555683         0.56676164870850
            0.62777998281916         0.30281158764011
   1 0 0   2 1
            0.10179318395279         1.33489381771574
            0.03477641198216         0.60596716743439
   2 1 1   4 1
            3.76340429509214        -0.85944447104669
            2.77087245796112         0.95552623177589
            0.98857243100516         0.89394024527631
            0.40859785445827         0.33456401818876
   2 1 1   2 1
            0.18768700429037         1.56674918523529
            0.05150473962668         0.91352524128139
   3 2 2   4 1
            5.55003209032165        -0.05784676103848
            2.44635581938185         0.25363847865258
            1.07334202551574         0.58349087835445
            0.42938940489029         0.58959213043987
   3 2 2   2 1
            0.16505264516680         1.11629629718284
            0.06884489728870         0.26525710622331
#
Rh vDZP-GTH-q17 vDZP-PTB-GTH-q17 vDZP-UZH-q17 vDZP-PTB-UZH-q17 vDZP-q17 vDZP-PTB-q17
  7
   1 0 0   5 1
           10.61227715996830         0.16850310245998
            4.17571135756162        -1.84733883660643
            3.54019826470641         1.31106735015494
            1.05471245757350         0.69799386830301
            0.46347694182681         0.18586553115802
   1 0 0   2 1
            1.12098788559612         0.63095370306726
            0.50535444019671         0.26316593415755
   1 0 0   2 1
            0.10779905575112         0.89505830901478
            0.03559370831610         0.45771413191511
   2 1 1   4 1
            3.91576276010694        -1.15544593145038
            3.21494627268575         1.20303067206900
            1.13839001431618         0.79207491642498
            0.48390020651210         0.36195596999608
   2 1 1   2 1
            0.17380179070341         1.46777654571461
            0.05895508377935         1.88869983397481
   3 2 2   4 1
            6.39682745880457        -0.04840930022491
            2.90832476834207         0.26703553016171
            1.36766612062141         0.69402058336551
            0.57307457299760         0.79296189037396
   3 2 2   2 1
            0.21541798487179         1.16615184937692
            0.07469447562003         0.26493753121633
#
Pd vDZP-GTH-q18 vDZP-PTB-GTH-q18 vDZP-UZH-q18 vDZP-PTB-UZH-q18 vDZP-q18 vDZP-PTB-q18
  7
   1 0 0   5 1
           11.26004220523050         0.16409757705564
            4.44755440793674        -1.86672250252735
            3.79895042991320         1.35973686267111
            1.12519123980090         0.56553004617781
            0.45255602926000         0.18877288764321
   1 0 0   2 1
            1.15150596150734         0.94465262486835
            0.75802288725444         0.20435104931318
   1 0 0   2 1
            0.11434110690842         0.95443721993976
            0.04162207160516         0.47120858506515
   2 1 1   4 1
            4.28020233090925        -1.17737734053395
            3.25839393793078         1.28873573870838
            1.16545499028153         1.06068570291479
            0.48822109938985         0.40995387072130
   2 1 1   2 1
            0.20127539480129         1.77571712096043
            0.05705358425568         1.17393556109297
   3 2 2   4 1
            6.93933503903740        -0.04562614946586
            3.00413061016028         0.31183941097614
            1.36559004961465         0.71805555738026
            0.57051882259155         0.70973934564284
   3 2 2   2 1
            0.23521130633529         0.76154463762621
            0.09854861474328         0.25265080191696
#
Ag vDZP-GTH-q19 vDZP-PTB-GTH-q19 vDZP-UZH-q19 vDZP-PTB-UZH-q19 vDZP-q19 vDZP-PTB-q19
  7
   1 0 0   5 1
           11.13738018575380         0.17011339408957
            4.98968629393956        -1.88773545956666
            4.47592019405193         1.43435681270576
            1.20148634317478         0.86852861266859
            0.51039266788550         0.19212260144310
   1 0 0   2 1
            1.16886529447267         0.98123966445693
            0.70389250851789         0.30122144027631
   1 0 0   2 1
            0.10937417285488         1.05399397907229
            0.03377658400264         0.41152198350819
   2 1 1   4 1
            4.55637268460979        -1.20293335593501
            3.51316626133765         1.31329658885021
            1.24479486398560         1.03631291022647
            0.51204773855290         0.38329427044917
   2 1 1   2 1
            0.17641680012895         0.97370356012761
            0.05237203283625         0.91291048748886
   3 2 2   4 1
            7.44645339176443        -0.04568584883564
            3.25592797616383         0.33432121761223
            1.45817738575535         0.75903714547399
            0.59630571847878         0.72966874336847
   3 2 2   2 1
            0.22982551350926         1.45800445330810
            0.09015196987088         0.26910101069650
#
Cd vDZP-GTH-q20 vDZP-PTB-GTH-q20 vDZP-UZH-q20 vDZP-PTB-UZH-q20 vDZP-q20 vDZP-PTB-q20
  7
   1 0 0   5 1
           12.01724450480540         0.16933996625051
            5.11421782555931        -1.89854344311818
            4.44694011542972         1.45085379486522
            1.21662834922767         0.93352398448325
            0.53205212674715         0.19396846398445
   1 0 0   2 1
            1.05510598741113         1.27280825408294
            0.60414832930649         0.22914263786907
   1 0 0   2 1
            0.14638339432580         0.69675421120105
            0.04704647943946         0.35896090592862
   2 1 1   4 1
            4.75723324663366        -1.07691068748833
            3.86737240805002         1.15177972970544
            1.35882307713677         0.72143213782031
            0.57709877934146         0.27879009725715
   2 1 1   2 1
            0.18236081583022         0.80498841998162
            0.06241927598375         0.59819334598038
   3 2 2   4 1
            8.11002005904231        -0.02522241280673
            3.45172676856943         0.21188529727955
            1.58170828179463         0.44754235048682
            0.67340797566372         0.41866816604031
   3 2 2   2 1
            0.27263446891220         1.11644884788553
            0.11333986732187         0.17532713675150
#
In vDZP-GTH-q3 vDZP-PTB-GTH-q3 vDZP-UZH-q3 vDZP-PTB-UZH-q3 vDZP-q3 vDZP-PTB-q3
  5
   1 0 0   4 1
            1.42475320483522         0.19521636956358
            0.96777651827790        -0.39033591837345
            0.18931658023632         0.33206651239327
            0.06968298669269         0.48191220446694
   1 0 0   2 1
            0.26206402353892         0.05192877447641
            0.06445877098554         0.80190631716924
   2 1 1   4 1
            1.81044902714695         0.06134492240344
            1.04664349668178        -0.19315712982543
            0.18498757809570         0.45839009660822
            0.07186161982420         0.19415813093013
   2 1 1   2 1
            0.13809817085574         0.10463173386408
            0.04124758088868         0.86849324491158
   3 2 2   2 1
            0.13824200513846         0.57339563706756
            0.07977730044141         1.01621980615533
#
Sn vDZP-GTH-q4 vDZP-PTB-GTH-q4 vDZP-UZH-q4 vDZP-PTB-UZH-q4 vDZP-q4 vDZP-PTB-q4
  5
   1 0 0   4 1
            2.40106207885046         0.14952719710328
            1.15331611552832        -0.50278133236028
            0.22691476438787         0.51524215919187
            0.11003794849691         0.38362082945925
   1 0 0   2 1
            0.31722548721518         0.15735314538475
            0.06105399717805         0.98240576232517
   2 1 1   4 1
            2.56689842548758         0.05505120086400
            1.49926043598471        -0.16973876985844
            0.22703474764525         0.49318321072512
            0.09217949893447         0.32703378631326
   2 1 1   2 1
            0.17340734706624         0.22560687702120
            0.04867454971076         2.06530046413178
   3 2 2   2 1
            0.24110238601728         1.10109030996696
            0.11655133599817         1.47446573540032
#
Sb vDZP-GTH-q5 vDZP-PTB-GTH-q5 vDZP-UZH-q5 vDZP-PTB-UZH-q5 vDZP-q5 vDZP-PTB-q5
  5
   1 0 0   4 1
            1.90129149643421         0.37239098671745
            1.44947512029410        -0.58982166452783
            0.25517966338832         0.23802052501169
            0.15955730137510         0.28260207454587
   1 0 0   2 1
            0.35511412659106         0.12670179395118
            0.06739314185934         1.04662080052824
   2 1 1   4 1
            2.37568985170905         0.05112258423850
            1.34806277439836        -0.16107577928868
            0.24374463681885         0.40576515273200
            0.10716699000890         0.18648653297769
   2 1 1   2 1
            0.20541944872198         0.14029156970485
            0.06291629134387         1.92693432850263
   3 2 2   2 1
            0.20528424887171         1.92344883142467
            0.16119468511114         1.08407527677881
#
Te vDZP-GTH-q6 vDZP-PTB-GTH-q6 vDZP-UZH-q6 vDZP-PTB-UZH-q6 vDZP-q6 vDZP-PTB-q6
  5
   1 0 0   4 1
            2.08351413068471         0.80228557837051
            1.71450790160407        -1.14743200231690
            0.24372185703899         0.70937279949778
            0.13068137045010         0.12696508468297
   1 0 0   2 1
            0.31579440507890         0.19060037470760
            0.08822133123985         0.83670422418475
   2 1 1   4 1
            2.48101281064376         0.07390169205076
            1.39916920547657        -0.23878362766152
            0.22994630823613         0.34045550086613
            0.12743463829796         0.24795129980497
   2 1 1   2 1
            0.50381641943537         0.91967671609539
            0.05680962337400         0.79757126454194
   3 2 2   2 1
            0.19201818297806         1.57139765565271
            0.06443786485448         0.96977750919690
#
I vDZP-GTH-q7 vDZP-PTB-GTH-q7 vDZP-UZH-q7 vDZP-PTB-UZH-q7 vDZP-q7 vDZP-PTB-q7
  5
   1 0 0   4 1
            2.46763775591826         0.27019103938286
            1.69692816235658        -0.51485358190174
            0.29883621532812         0.44603197452609
            0.13919922703120         0.19399329143249
   1 0 0   2 1
            0.24143761279295         0.21406032541844
            0.07820990642457         0.85332611366061
   2 1 1   4 1
            0.95441786604895        -0.26789044974814
            0.66358985951919         0.29430719491964
            0.23675013421207         0.24602197965254
            0.13058473950737         0.13877337780575
   2 1 1   2 1
            0.22916824246265         0.06310584973216
            0.06722088462944         2.03005652065806
   3 2 2   2 1
            0.32794162356537         0.15962688042706
            0.22851454592179         1.06491073150809
#
Xe vDZP-GTH-q8 vDZP-PTB-GTH-q8 vDZP-UZH-q8 vDZP-PTB-UZH-q8 vDZP-q8 vDZP-PTB-q8
  5
   1 0 0   4 1
            2.75509592482670         0.24989692702291
            1.73831236699465        -0.53763166073228
            0.35804665046733         0.48910173886153
            0.14212460362501         0.26800603772730
   1 0 0   2 1
            0.27547885022076         0.19332270035025
            0.10090705759761         0.88785927184152
   2 1 1   4 1
            1.11783971930001        -0.27636707942913
            0.69126791007402         0.32317875600964
            0.27926771306109         0.29835862877949
            0.15595549885960         0.22688522936860
   2 1 1   2 1
            0.26535202698158         0.06733676589567
            0.07589274431246         1.83024378138774
   3 2 2   2 1
            0.40278020851110         0.16137859615603
            0.24363282692561         1.04374483574107
#
Cs vDZP-GTH-q9 vDZP-PTB-GTH-q9 vDZP-UZH-q9 vDZP-PTB-UZH-q9 vDZP-q9 vDZP-PTB-q9
  6
   1 0 0   4 1
            2.17243332334312         0.09394489713645
            1.21355942986731        -0.57487685188440
            0.91307418103759         0.38029335066284
            0.31388049817961         0.27553912587776
   1 0 0   3 1
            1.29443439025071        -0.24688200831498
            1.08875626351396         0.35249353701830
            0.14199020190619         1.01388442039574
   1 0 0   2 1
            0.11048681862939         0.14294819157470
            0.02103622615519         0.28995517747406
   2 1 1   4 1
            1.29661206281324        -0.15820527038683
            0.51158764950597         0.41148081311413
            0.20155009232928         0.41426255828087
            0.06533847807522         0.07230217582307
   2 1 1   3 1
            0.29967572233189        -0.09735552329440
            0.06347084330549         0.07006429755797
            0.02936375353157         0.66022157618674
   3 2 2   2 1
            0.28801315296364         1.13041770831029
            0.09477615326285         0.95669754710698
#
Ba vDZP-GTH-q10 vDZP-PTB-GTH-q10 vDZP-UZH-q10 vDZP-PTB-UZH-q10 vDZP-q10 vDZP-PTB-q10
  6
   1 0 0   4 1
            2.16522443957251         0.17212697266854
            1.56360666301505        -0.41249852067833
            0.46838866009412         0.40343379250073
            0.18249063032947         0.15393591497681
   1 0 0   3 1
            0.96981188119938         0.33217393271779
            0.43833580757056        -0.09359871281010
            0.05141392751414         0.27582947581437
   1 0 0   2 1
            0.03842068546814         0.34824920663309
            0.03482715662764         1.04922299327412
   2 1 1   4 1
            1.24686767725796        -0.09071335217622
            0.61971910416621         0.18606534686066
            0.31472219197007         0.05334591733781
            0.21821487264063         0.12403888645625
   2 1 1   3 1
            0.88882323800378        -0.00926690173611
            0.11233942495550         0.52002915373903
            0.04891725154183         0.29475365405569
   3 2 2   2 1
            0.37636279837515         0.74074730006807
            0.12267839109061         0.54408554784236
#
La vDZP-GTH-q11 vDZP-PTB-GTH-q11 vDZP-UZH-q11 vDZP-PTB-UZH-q11 vDZP-q11 vDZP-PTB-q11
  7
   1 0 0   4 1
            2.96151881528895         0.34443659584899
            2.11689888732538        -0.62462227609972
            0.52115246496810         0.51512723767483
            0.23006939858643         0.24621845800595
   1 0 0   2 1
            0.57954611926971         0.93770951541648
            0.29050975293757         1.16436733135073
   1 0 0   2 1
            0.04891676258396         1.10599577692508
            0.01860473748128         0.46496711185814
   2 1 1   4 1
            3.24524564320583         0.17676909445968
            2.47089043541204        -0.33271364667560
            0.54530385697300         0.52675751926323
            0.21653796668909         0.33661076766143
   2 1 1   2 1
            0.03329936909886         1.04402267284473
            0.00674572415619         0.06735390167864
   3 2 2   4 1
            1.50984881560618        -0.09162246345067
            0.74300987543605         0.17919634442285
            0.33987913504401         0.48542746758993
            0.13751228653259         0.46316703197122
   3 2 2   2 1
            0.06043225224083         0.86661610869281
            0.02144677108783         0.43687307238562
#
Ce vDZP-GTH-q12 vDZP-PTB-GTH-q12 vDZP-UZH-q12 vDZP-PTB-UZH-q12 vDZP-q12 vDZP-PTB-q12
  9
   1 0 0   4 1
            2.33870826940000         0.13042319193000
            1.32193805990000        -0.94540743539000
            0.93665343051000         0.57866012997000
            0.43317450783000         0.19922843248000
   1 0 0   2 1
            0.78716138519000         0.61399977932000
            0.25614102871000         0.97494473290000
   1 0 0   2 1
            0.04286244037800         1.45004460390000
            0.01952135270800         0.34746965573000
   2 1 1   4 1
            2.21977493380000         0.19603088989000
            2.01891250710000        -0.32025752375000
            0.59208736304000         0.40620759267000
            0.27715890834000         0.24351774688000
   2 1 1   1 1
            0.15606258029000         1.00000000000000
   3 2 2   3 1
            1.08422138550000        -0.01435288034900
            0.44854017505000         0.58846622273000
            0.15196094511000         0.14755321786000
   3 2 2   2 1
            0.13954925920000         1.53934400790000
            0.04087402578300         0.36900964488000
   4 3 3   5 1
           34.14539926200000         0.03217050940200
           12.06542899800000         0.14007121521000
            4.45011120560000         0.28422046329000
            1.67640322960000         0.34240233416000
            0.65208463631000         0.12381738303000
   4 3 3   2 1
            0.54519939730000         0.89984480505000
            0.16190740048000         0.96684920740000
#
Pr vDZP-GTH-q13 vDZP-PTB-GTH-q13 vDZP-UZH-q13 vDZP-PTB-UZH-q13 vDZP-q13 vDZP-PTB-q13
  9
   1 0 0   4 1
            3.16898465180000         0.17163109833000
            1.66789071680000        -0.99583823380000
            0.81218612542000         0.27245845030000
            0.60152924495000         0.15242165492000
   1 0 0   2 1
            0.90387535210000         0.65750424867000
            0.30118917715000         0.54246743540000
   1 0 0   2 1
            0.06261565670500         0.95951157448000
            0.02240554638200         0.28985082359000
   2 1 1   4 1
            2.48210813690000         0.20340061220000
            2.25738199670000        -0.34095322639000
            0.68556585041000         0.45313355506000
            0.38714466910000         0.08785898375300
   2 1 1   1 1
            0.22038106400000         1.00000000000000
   3 2 2   3 1
            1.00253321580000        -0.01935112201600
            0.75022354094000         0.59802933685000
            0.22932905332000         0.13854490351000
   3 2 2   2 1
            0.20567375317000         0.68433658929000
            0.04653182368400         0.19128774083000
   4 3 3   5 1
           40.23288193000000         0.03972769566700
           14.43909690100000         0.18597356832000
            5.66682423180000         0.36484675429000
            2.43787325530000         0.39320298318000
            1.04982739530000         0.15185236161000
   4 3 3   2 1
            1.15590460690000         0.64943344381000
            0.36718486505000         0.73833521094000
#
Nd vDZP-GTH-q14 vDZP-PTB-GTH-q14 vDZP-UZH-q14 vDZP-PTB-UZH-q14 vDZP-q14 vDZP-PTB-q14
  9
   1 0 0   4 1
            2.39944523110000         0.33005251961000
            1.68288432430000        -1.08781200630000
            0.98814172882000         0.22802643482000
            0.20892020623000         0.19056875363000
   1 0 0   2 1
            1.12729879790000         0.72112013410000
            0.48928449185000         0.80359330200000
   1 0 0   2 1
            0.02430384069800         0.50486238891000
            0.01302960922700         0.61269624181000
   2 1 1   4 1
            2.32473534600000         0.17014791696000
            2.05621914560000        -0.35517864681000
            0.69782906294000         0.57219729171000
            0.50919467939000         0.08576128492900
   2 1 1   1 1
            0.23546913951000         1.00000000000000
   3 2 2   3 1
            1.07457729890000        -0.01762018621700
            0.47206210362000         0.70820315528000
            0.20001586337000         0.16864766654000
   3 2 2   2 1
            0.14261726432000         0.52089059290000
            0.05763192366300         0.18061005361000
   4 3 3   5 1
           46.84718594500000         0.03050242403700
           17.01930428300000         0.15310458698000
            6.79862125400000         0.31687680631000
            2.88709156310000         0.40686652959000
            1.10898220420000         0.16639626932000
   4 3 3   2 1
            1.26179473070000         0.58596675664000
            0.38876400830000         0.61199823094000
#
Pm vDZP-GTH-q15 vDZP-PTB-GTH-q15 vDZP-UZH-q15 vDZP-PTB-UZH-q15 vDZP-q15 vDZP-PTB-q15
  9
   1 0 0   4 1
            2.93042833890000         0.35717715422000
            1.92749849360000        -1.17011915430000
            0.77254891437000         0.23006833621000
            0.16984309946000         0.18382815901000
   1 0 0   2 1
            1.06202111330000         0.22984322387000
            0.44306165634000         0.64038534886000
   1 0 0   2 1
            0.04708034194100         0.56694520729000
            0.02013107682900         0.95173018826000
   2 1 1   4 1
            2.52640955810000         0.18635062123000
            2.18288237840000        -0.35938323404000
            0.67834529941000         0.57393619220000
            0.36842227341000         0.20324099471000
   2 1 1   1 1
            0.21745202643000         1.00000000000000
   3 2 2   3 1
            1.17593762490000        -0.01961503955300
            0.43743803798000         0.68449554350000
            0.21286751789000         0.13880279941000
   3 2 2   2 1
            0.11223743237000         0.34613829811000
            0.02951340692200         0.26373925997000
   4 3 3   5 1
           49.70802267000000         0.03065685094600
           17.96643803600000         0.15467589903000
            7.10208058510000         0.33065482216000
            2.90814250990000         0.44445096865000
            1.21560631430000         0.27056890143000
   4 3 3   2 1
            0.87975604481000         0.56228042605000
            0.35980559820000         0.72234081803000
#
Sm vDZP-GTH-q16 vDZP-PTB-GTH-q16 vDZP-UZH-q16 vDZP-PTB-UZH-q16 vDZP-q16 vDZP-PTB-q16
  9
   1 0 0   4 1
            3.19846898600000         0.38870099316000
            2.05463839570000        -1.29667242260000
            0.82422222266000         0.22776680729000
            0.16016847729000         0.17283307905000
   1 0 0   2 1
            0.94660988489000         0.28694846973000
            0.42826340683000         0.67162063994000
   1 0 0   2 1
            0.05523692262500         0.59959512081000
            0.02461741160700         0.91217910521000
   2 1 1   4 1
            2.51312407880000         0.19131016970000
            2.23718890040000        -0.36139913837000
            0.69782770455000         0.57566387177000
            0.38056570145000         0.17549893329000
   2 1 1   1 1
            0.22562301428000         1.00000000000000
   3 2 2   3 1
            0.92653512511000        -0.01746365572800
            0.51936289270000         0.58599759407000
            0.22109803651000         0.16764874679000
   3 2 2   2 1
            0.15430482491000         0.31194563860000
            0.05390011563200         0.23554680276000
   4 3 3   5 1
           50.12802207800000         0.03296778299400
           18.16474252700000         0.15842286061000
            7.18350271620000         0.32583914580000
            2.96275410670000         0.42163720622000
            1.23214097670000         0.25172080850000
   4 3 3   2 1
            0.93057739827000         0.53193975250000
            0.37279789011000         0.76357516248000
#
Eu vDZP-GTH-q17 vDZP-PTB-GTH-q17 vDZP-UZH-q17 vDZP-PTB-UZH-q17 vDZP-q17 vDZP-PTB-q17
  9
   1 0 0   4 1
            3.34505990570000         0.37597016675000
            2.07557406200000        -1.40513177680000
            0.94042698165000         0.23250560461000
            0.18167465041000         0.19260813349000
   1 0 0   2 1
            1.05216633410000         0.32760603173000
            0.44292626550000         0.64365988055000
   1 0 0   2 1
            0.06141409282400         0.58823078916000
            0.03178417718400         0.93060951333000
   2 1 1   4 1
            2.49563400850000         0.19416454017000
            2.29250671560000        -0.35674794310000
            0.72059130792000         0.56742806498000
            0.38614252682000         0.17026311834000
   2 1 1   1 1
            0.22937458805000         1.00000000000000
   3 2 2   3 1
            0.96494660921000        -0.01632707992800
            0.49732776274000         0.71435560855000
            0.21250337204000         0.16484802692000
   3 2 2   2 1
            0.15545285857000         0.31774982666000
            0.05841943072200         0.21065628727000
   4 3 3   5 1
           51.09538412600000         0.03530594922200
           18.47359632600000         0.16233513670000
            7.34681589800000         0.32454359514000
            3.05965373300000         0.40921509681000
            1.27368865730000         0.26775595752000
   4 3 3   2 1
            0.88197183184000         0.50698616691000
            0.38129255347000         0.85365765095000
#
Gd vDZP-GTH-q18 vDZP-PTB-GTH-q18 vDZP-UZH-q18 vDZP-PTB-UZH-q18 vDZP-q18 vDZP-PTB-q18
  9
   1 0 0   4 1
            4.00001910430000         0.33348723416000
            2.19573138950000        -1.48494202310000
            0.96524115435000         0.24940190681000
            0.16224818741000         0.18415002783000
   1 0 0   2 1
            1.09836770940000         0.33221994084000
            0.43254827062000         0.52453041521000
   1 0 0   2 1
            0.06420940882600         0.60391215603000
            0.03387062820500         0.92946853335000
   2 1 1   4 1
            2.42787311080000         0.19806767763000
            2.31177982310000        -0.35798393193000
            0.73970340991000         0.57800647237000
            0.36672522184000         0.18977860839000
   2 1 1   1 1
            0.22782861457000         1.00000000000000
   3 2 2   3 1
            0.91766730388000        -0.01621999391900
            0.52946179464000         0.68715206026000
            0.22126640027000         0.19493359072000
   3 2 2   2 1
            0.15079118258000         0.31710911401000
            0.05540693497500         0.21924464248000
   4 3 3   5 1
           52.70289185000000         0.03794409203600
           18.96862935900000         0.17295048686000
            7.48376163680000         0.33929663526000
            3.12455114130000         0.40924409208000
            1.29791725800000         0.26643251896000
   4 3 3   2 1
            0.88233678739000         0.51658546481000
            0.38448457937000         0.87332889639000
#
Tb vDZP-GTH-q19 vDZP-PTB-GTH-q19 vDZP-UZH-q19 vDZP-PTB-UZH-q19 vDZP-q19 vDZP-PTB-q19
  9
   1 0 0   4 1
            3.20138650520000         0.41189426737000
            2.12678441570000        -1.50693595300000
            0.99909749503000         0.25453505670000
            0.15741744950000         0.11799077794000
   1 0 0   2 1
            1.02362705370000         0.34011076987000
            0.43069780159000         0.45488890028000
   1 0 0   2 1
            0.06997489899000         0.69864329621000
            0.03294099097500         0.74038600919000
   2 1 1   4 1
            2.07398957140000        -0.34359567373000
            1.82847126860000         0.21536218534000
            0.77572676902000         0.49067793548000
            0.38409137145000         0.25608742635000
   2 1 1   1 1
            0.21791571092000         1.00000000000000
   3 2 2   3 1
            0.82517175820000        -0.01578227399900
            0.60015408099000         0.51582418239000
            0.23945754209000         0.21993027658000
   3 2 2   2 1
            0.17084029452000         0.33934451181000
            0.06639329685300         0.17961758229000
   4 3 3   5 1
           56.58955896400000         0.03801438793500
           20.15523019600000         0.17979384807000
            7.82036055290000         0.36211159816000
            3.17888288870000         0.43190963170000
            1.28991831110000         0.25425567044000
   4 3 3   2 1
            0.94281835642000         0.52428332737000
            0.37516816582000         0.77464190837000
#
Dy vDZP-GTH-q20 vDZP-PTB-GTH-q20 vDZP-UZH-q20 vDZP-PTB-UZH-q20 vDZP-q20 vDZP-PTB-q20
  9
   1 0 0   4 1
            3.07763897230000         0.47400905998000
            2.14451690320000        -1.57154338370000
            1.03252486060000         0.25187264116000
            0.14988485550000         0.11599759842000
   1 0 0   2 1
            1.18791849250000         0.37184131404000
            0.43996446544000         0.43980183214000
   1 0 0   2 1
            0.04912267658700         0.66288936087000
            0.02092795635300         0.75873320773000
   2 1 1   4 1
            2.28204976350000        -0.33536496558000
            2.14998679410000         0.21298737795000
            0.77851373963000         0.46980875290000
            0.37521934267000         0.25103279117000
   2 1 1   1 1
            0.19993955442000         1.00000000000000
   3 2 2   3 1
            0.83265033401000        -0.01667295438400
            0.58650564812000         0.57258552581000
            0.24967987537000         0.22009189433000
   3 2 2   2 1
            0.18010507726000         0.34458238353000
            0.06582597009900         0.19150260462000
   4 3 3   5 1
           57.86134245300000         0.03897287510700
           20.63539382500000         0.18104524639000
            8.00453536560000         0.35942466479000
            3.22644955610000         0.42336034677000
            1.29417517130000         0.25632664459000
   4 3 3   2 1
            0.88116557002000         0.49689480385000
            0.33975442159000         0.78637909844000
#
Ho vDZP-GTH-q21 vDZP-PTB-GTH-q21 vDZP-UZH-q21 vDZP-PTB-UZH-q21 vDZP-q21 vDZP-PTB-q21
  9
   1 0 0   4 1
            3.21585528760000         0.43591531252000
            2.25463326400000        -1.40905791950000
            0.92667846446000         0.23681295904000
            0.19797869591000         0.11385953179000
   1 0 0   2 1
            1.07458468670000         0.34915970893000
            0.43361307953000         0.29579910052000
   1 0 0   2 1
            0.05396634373200         0.57870669379000
            0.02199163487100         0.80371336456000
   2 1 1   4 1
            2.27674054670000        -0.30991942462000
            1.87568943410000         0.22243338525000
            0.76935184508000         0.48361700903000
            0.34246701503000         0.28262061093000
   2 1 1   1 1
            0.18955952108000         1.00000000000000
   3 2 2   3 1
            0.72308636599000        -0.01402293555900
            0.63626720479000         0.51906061850000
            0.23493178317000         0.24475528163000
   3 2 2   2 1
            0.17948595604000         0.33830353714000
            0.07355782135100         0.17902178771000
   4 3 3   5 1
           60.83005375800000         0.03849057628900
           21.58806593400000         0.18191061031000
            8.25047941140000         0.36599238535000
            3.27561948650000         0.41519599717000
            1.28058176320000         0.22343297350000
   4 3 3   2 1
            1.06185877110000         0.56092980862000
            0.37805336380000         0.86663447860000
#
Er vDZP-GTH-q22 vDZP-PTB-GTH-q22 vDZP-UZH-q22 vDZP-PTB-UZH-q22 vDZP-q22 vDZP-PTB-q22
  9
   1 0 0   4 1
            3.30000819430000         0.44991244311000
            2.26145618480000        -1.61692987430000
            0.90114200876000         0.24366030559000
            0.18512901720000         0.11606060753000
   1 0 0   2 1
            1.23483122210000         0.31075956047000
            0.43510111410000         0.23329509247000
   1 0 0   2 1
            0.03964875957400         0.78382314559000
            0.03667095125800         0.63520038350000
   2 1 1   4 1
            2.32764366790000        -0.30138478098000
            1.85349288350000         0.22804162477000
            0.77433880133000         0.45930788677000
            0.36133227744000         0.28550770707000
   2 1 1   1 1
            0.18644851729000         1.00000000000000
   3 2 2   3 1
            0.90025331301000        -0.01725508479900
            0.64509890662000         0.51958813200000
            0.17116558621000         0.25155677131000
   3 2 2   2 1
            0.17720273728000         0.37544355179000
            0.06320471763100         0.19440429807000
   4 3 3   5 1
           66.65027600300000         0.03851501028900
           23.86287353200000         0.18521559367000
            9.41326986780000         0.37123792692000
            3.90370345590000         0.44213974925000
            1.62821880050000         0.29704122502000
   4 3 3   2 1
            0.96418158841000         0.51526017964000
            0.41737404054000         0.67987974824000
#
Tm vDZP-GTH-q23 vDZP-PTB-GTH-q23 vDZP-UZH-q23 vDZP-PTB-UZH-q23 vDZP-q23 vDZP-PTB-q23
  9
   1 0 0   4 1
            3.52995196770000         0.44003000313000
            2.37326475250000        -1.67614715060000
            0.85973269378000         0.24401560537000
            0.18899427271000         0.12618149018000
   1 0 0   2 1
            1.23771470000000         0.35352495220000
            0.43788333056000         0.25713837625000
   1 0 0   2 1
            0.05660146773600         0.75159110295000
            0.03445265843500         0.66543541299000
   2 1 1   4 1
            2.38941503860000        -0.29879897111000
            1.85560005720000         0.23183918701000
            0.80665788883000         0.46577279262000
            0.36431735727000         0.30356272475000
   2 1 1   1 1
            0.18967969622000         1.00000000000000
   3 2 2   3 1
            0.84210408156000        -0.01682164143500
            0.64269388942000         0.52527576112000
            0.17420558842000         0.25494058909000
   3 2 2   2 1
            0.18537620534000         0.38613395267000
            0.06699978746200         0.18596000119000
   4 3 3   5 1
           69.09863982000000         0.03978093060300
           24.62239819100000         0.18915006104000
            9.67058496410000         0.37748622137000
            3.96767595840000         0.44713272983000
            1.60269157390000         0.30538309036000
   4 3 3   2 1
            0.86298295525000         0.53920991053000
            0.38713539910000         0.66033025316000
#
Yb vDZP-GTH-q24 vDZP-PTB-GTH-q24 vDZP-UZH-q24 vDZP-PTB-UZH-q24 vDZP-q24 vDZP-PTB-q24
  9
   1 0 0   4 1
            4.12976650920000         0.31414103734000
            2.36749066970000        -1.89676606700000
            0.80665022026000         0.22577143216000
            0.20227385008000         0.10988539866000
   1 0 0   2 1
            1.43842818910000         0.33435468094000
            0.45855181128000         0.22326091906000
   1 0 0   2 1
            0.06010543671200         0.71957909349000
            0.03548263270200         0.64341395549000
   2 1 1   4 1
            2.47165931430000        -0.29512519332000
            1.86099366860000         0.23739957024000
            0.82348541164000         0.45729260059000
            0.36751090136000         0.35124266533000
   2 1 1   1 1
            0.17137331504000         1.00000000000000
   3 2 2   3 1
            0.80514347151000        -0.01758069508700
            0.49818496545000         0.50734627089000
            0.18318772548000         0.27057439096000
   3 2 2   2 1
            0.04869280077700         0.23063487892000
            0.00206531387040         0.29786485737000
   4 3 3   5 1
           69.91846859800000         0.04134251496100
           24.94795008800000         0.19255135085000
            9.76546316200000         0.37677438060000
            4.01115168160000         0.42959973401000
            1.63598229570000         0.29306679321000
   4 3 3   2 1
            0.88539119885000         0.54662620860000
            0.42739330834000         0.73386406646000
#
Lu vDZP-GTH-q25 vDZP-PTB-GTH-q25 vDZP-UZH-q25 vDZP-PTB-UZH-q25 vDZP-q25 vDZP-PTB-q25
  9
   1 0 0   4 1
            3.99770291620000         0.45744168018000
            2.70926198890000        -1.54013383560000
            0.90262598006000         0.24551822923000
            0.19709983436000         0.10348695822000
   1 0 0   2 1
            1.24981597600000         0.31254327822000
            0.46548004801000         0.23449197377000
   1 0 0   2 1
            0.08096027441900         0.62470713752000
            0.04748530233000         0.62452618808000
   2 1 1   4 1
            2.58146400980000        -0.29720840337000
            1.97631190420000         0.25005587464000
            0.83520709609000         0.45065984604000
            0.35641388942000         0.30545914112000
   2 1 1   1 1
            0.15642176450000         1.00000000000000
   3 2 2   3 1
            0.91706262949000        -0.01733922838600
            0.57277520315000         0.50361027373000
            0.16819103334000         0.24844309076000
   3 2 2   2 1
            0.08683873722800         0.31149462760000
            0.03890052941800         0.21744992663000
   4 3 3   5 1
           73.09546595200000         0.04216944412500
           26.02371594600000         0.19591147940000
           10.23061323700000         0.38032428371000
            4.18225520020000         0.43722238823000
            1.65637446950000         0.29799664853000
   4 3 3   2 1
            0.82684021373000         0.49303740626000
            0.49764936538000         0.84288616292000
#
Hf vDZP-GTH-q12 vDZP-PTB-GTH-q12 vDZP-UZH-q12 vDZP-PTB-UZH-q12 vDZP-q12 vDZP-PTB-q12
  7
   1 0 0   4 1
            5.74526391326522         0.27639850538005
            3.89414255373533        -0.83989848946307
            3.12102733585103         0.47424043095379
            0.63549670208553         0.15877791880939
   1 0 0   2 1
            0.76484435102028         1.70746897790986
            0.29033968511546         0.51913760220746
   1 0 0   2 1
            0.08209132517741         1.95891057176464
            0.02550548105694         0.40853814134585
   2 1 1   4 1
            8.04734975615172         0.13437472787821
            5.35315490533019        -0.30461287777592
            0.98973130277607         0.60786256669188
            0.37308495561890         0.43393493543319
   2 1 1   2 1
            0.04293078068818         1.37130667717365
            0.01820454481813         0.80956300766775
   3 2 2   4 1
            3.43068625591040        -0.06778954964773
            1.28463875659619         0.28306449407539
            0.43371851757243         0.61950802396927
            0.15029585121833         0.39071059120066
   3 2 2   2 1
            0.07250379749097         0.79471926925543
            0.02706182127800         0.34228568908248
#
Ta vDZP-GTH-q13 vDZP-PTB-GTH-q13 vDZP-UZH-q13 vDZP-PTB-UZH-q13 vDZP-q13 vDZP-PTB-q13
  7
   1 0 0   4 1
            5.96380370765734         0.27936407305803
            3.96111667779907        -0.85026080920577
            3.08576663261786         0.47956884029387
            0.66580870139536         0.19339418736722
   1 0 0   2 1
            0.80597231984188         1.68824684835804
            0.26893053203350         0.37913366047932
   1 0 0   2 1
            0.08655342974312         2.59526352921979
            0.02779115733534         0.53338309943748
   2 1 1   4 1
            8.18290420839394         0.13662520686910
            5.41901072772955        -0.31709105015021
            1.08089730536229         0.58746321056745
            0.42710185896918         0.43598898125470
   2 1 1   2 1
            0.12366516652199         1.34811785761304
            0.07463139146557         0.77982928676571
   3 2 2   4 1
            3.93878085795117        -0.05790076852868
            1.36749913821919         0.22589454581276
            0.62993594540544         0.37921903076241
            0.27309240785972         0.50838193898210
   3 2 2   2 1
            0.09992568304084         0.81291131218652
            0.03794385263462         0.33239958028769
#
W vDZP-GTH-q14 vDZP-PTB-GTH-q14 vDZP-UZH-q14 vDZP-PTB-UZH-q14 vDZP-q14 vDZP-PTB-q14
  7
   1 0 0   4 1
            6.10612594709169         0.27702534081878
            4.12770257021217        -0.84473032199855
            3.27497081732984         0.48314224488284
            0.73300447290106         0.15800659899698
   1 0 0   2 1
            0.84144406722837         1.64490988336330
            0.27178021268392         0.40956882801719
   1 0 0   2 1
            0.10033181273647         1.86958981512116
            0.02963273276056         0.52892993206215
   2 1 1   4 1
            8.28555352980038         0.15735421188907
            5.61567818757921        -0.35285495260726
            1.15857304681256         0.61242093488989
            0.46761738031237         0.44672297843317
   2 1 1   2 1
            0.13727062765993         0.96487503988691
            0.08229367870115         0.24658645590464
   3 2 2   4 1
            4.19212684700718        -0.05489921560109
            1.44841356241523         0.21699789223141
            0.62662782511441         0.43298241441083
            0.24912467022499         0.42312382590235
   3 2 2   2 1
            0.09742139034328         1.09026629068790
            0.03644705481378         0.47878905828081
#
Re vDZP-GTH-q15 vDZP-PTB-GTH-q15 vDZP-UZH-q15 vDZP-PTB-UZH-q15 vDZP-q15 vDZP-PTB-q15
  7
   1 0 0   4 1
            6.48878200339561         0.25773621544478
            4.21756845963194        -0.82287562007046
            3.26287942822036         0.47906703283332
            0.75478422283108         0.20314724089359
   1 0 0   2 1
            0.94108173461851         1.88176410312861
            0.27271235573945         0.42934114177026
   1 0 0   2 1
            0.11112686014086         2.25532222640026
            0.04000935513662         1.25953176837750
   2 1 1   4 1
            7.52049768168477         0.49692735984427
            6.49825850618508        -0.67680919532838
            1.21642739418647         0.57236468992675
            0.49515843828891         0.39634049887198
   2 1 1   2 1
            0.13618644146995         4.16534154565347
            0.08244135768759         0.90863927154306
   3 2 2   4 1
            4.42427609062115        -0.07541696461219
            1.53752864387202         0.28974069276775
            0.72085071043293         0.51167449948587
            0.31237770341310         0.54302674680657
   3 2 2   2 1
            0.12272309571917         0.41913023472879
            0.05034464546079         0.12483135709429
#
Os vDZP-GTH-q16 vDZP-PTB-GTH-q16 vDZP-UZH-q16 vDZP-PTB-UZH-q16 vDZP-q16 vDZP-PTB-q16
  7
   1 0 0   4 1
            6.58930152103062         0.26232401489473
            4.48341082640627        -0.82415154275868
            3.59878474760008         0.48823688333840
            0.83048287389238         0.14895928985014
   1 0 0   2 1
            0.97440198590051         1.70427640413529
            0.33709988020752         0.41993936580751
   1 0 0   2 1
            0.11937147790104         1.19041617071212
            0.04033465277357         0.41509840789099
   2 1 1   4 1
            8.01886850809541         0.36699198068376
            6.51633308821277        -0.57251245998586
            1.29866160499165         0.63439974450045
            0.53704700806014         0.43729612370305
   2 1 1   2 1
            0.16342559532932         2.84686353070877
            0.04675245701936         0.34946420702262
   3 2 2   4 1
            4.56202288689347        -0.07584539909918
            1.70049817042018         0.26201241827437
            0.78396350548096         0.48925305100869
            0.33303441933857         0.48060705100261
   3 2 2   2 1
            0.12832031142062         1.94652775177620
            0.05149469001027         0.29134173289003
#
Ir vDZP-GTH-q17 vDZP-PTB-GTH-q17 vDZP-UZH-q17 vDZP-PTB-UZH-q17 vDZP-q17 vDZP-PTB-q17
  7
   1 0 0   4 1
            6.99069648086938         0.23856594129448
            4.65762882662065        -0.82442574189955
            3.82213324032349         0.50761335692682
            0.88882562234527         0.11915738769546
   1 0 0   2 1
            1.02379377016244         1.45742728612680
            0.30919931563528         0.28154351288553
   1 0 0   2 1
            0.12796747942605         1.17139136246654
            0.04008856093303         0.52190156638556
   2 1 1   4 1
            8.68908818508205         0.24311932284141
            6.57736655856483        -0.44454436060722
            1.35641335436438         0.64565524859470
            0.54492809362419         0.40270463043161
   2 1 1   2 1
            0.14079438174118         0.98320226978938
            0.04885162691587         0.53570840216031
   3 2 2   4 1
            4.66517866468553        -0.08106028515923
            1.80605042412078         0.27453180598858
            0.78739462525121         0.50931296201054
            0.32137398755428         0.42190734016249
   3 2 2   2 1
            0.12162529920021         1.54203214594935
            0.04910569895729         0.21535595227882
#
Pt vDZP-GTH-q18 vDZP-PTB-GTH-q18 vDZP-UZH-q18 vDZP-PTB-UZH-q18 vDZP-q18 vDZP-PTB-q18
  7
   1 0 0   4 1
            7.67941261588119         0.23087790869182
            4.70908775958692        -0.86165478281420
            3.64531351768757         0.54190455735273
            0.95342095084098         0.47255312527695
   1 0 0   2 1
            1.02776977051872         1.54381633319250
            0.89582716951995         0.27617532056831
   1 0 0   2 1
            0.13955529740954         1.21193397106255
            0.04934052287004         0.54797173804473
   2 1 1   4 1
            8.28914453880136         0.71284803960709
            7.31631114027094        -0.94041436767058
            1.44910998034942         0.71030977667333
            0.60924338805223         0.45691997994283
   2 1 1   2 1
            0.19368311974132         2.29250014433594
            0.04416614440857         0.22421008938267
   3 2 2   4 1
            4.91033294987176        -0.07962514942177
            1.93869142650574         0.26781313639441
            0.86474756155712         0.49253575700623
            0.35733228362954         0.41503650157015
   3 2 2   2 1
            0.13794633664354         2.00606003846707
            0.05024282969501         0.26207560830127
#
Au vDZP-GTH-q19 vDZP-PTB-GTH-q19 vDZP-UZH-q19 vDZP-PTB-UZH-q19 vDZP-q19 vDZP-PTB-q19
  7
   1 0 0   4 1
            8.48224732975403         0.22903700716588
            5.00888737139091        -0.90740520908186
            3.95346308043245         0.53272946304136
            1.01667428075330         0.28871941214168
   1 0 0   2 1
            1.24453231770661         1.10276928438823
            0.30988582532909         0.34391202206325
   1 0 0   2 1
            0.14759639748741         1.09936715340156
            0.04771964678134         0.52267491917184
   2 1 1   4 1
            8.83155469051288         0.50947513802170
            7.56628279434469        -0.72107477636037
            1.50670040983191         0.69838806741241
            0.61282269306964         0.40907409760568
   2 1 1   2 1
            0.17622196508193         2.73027327247244
            0.06199401216936         1.12289511856164
   3 2 2   4 1
            5.14988837397943        -0.07694068436151
            2.03828781775849         0.26614848883956
            0.89801720686022         0.47991252119059
            0.36263585849246         0.37747136846857
   3 2 2   2 1
            0.13845874056238         2.46211118097863
            0.04671559126566         0.25073824897358
#
Hg vDZP-GTH-q20 vDZP-PTB-GTH-q20 vDZP-UZH-q20 vDZP-PTB-UZH-q20 vDZP-q20 vDZP-PTB-q20
  7
   1 0 0   4 1
            9.56230022936654         0.18125077112859
            5.07939553202002        -0.86935044398099
            3.98285047147501         0.48637618126686
            0.96112740089326         0.25898330515331
   1 0 0   2 1
            1.37780305999034         1.72210639436028
            0.38144067117235         0.25045572670250
   1 0 0   2 1
            0.17235143439937         1.10033494167289
            0.06394384069286         0.67782398034667
   2 1 1   4 1
            9.89310193249503         0.21806732095901
            7.42381243966155        -0.42028076309939
            1.60073860598398         0.66930565839640
            0.65267709618342         0.38678192550182
   2 1 1   2 1
            0.18349808706594         2.46643366390129
            0.06459285863785         1.56175963052175
   3 2 2   4 1
            5.31569244290237        -0.07857415290986
            2.24555459847449         0.24355994518747
            1.00194726639410         0.45115180048466
            0.41390288647948         0.34592382741051
   3 2 2   2 1
            0.16721364256363         2.30077941280629
            0.06709816168639         0.21068586376532
#
Tl vDZP-GTH-q3 vDZP-PTB-GTH-q3 vDZP-UZH-q3 vDZP-PTB-UZH-q3 vDZP-q3 vDZP-PTB-q3
  5
   1 0 0   4 1
            1.50531304942800         0.31366263499522
            0.92640663890584        -0.72274614509868
            0.19547244187732         0.63424926512863
            0.07919757153951         0.61644733853180
   1 0 0   2 1
            0.17942336704157         0.14478186822135
            0.07206184621555         0.89005933768692
   2 1 1   4 1
            1.34044539089508         0.09097839530089
            0.86660478509295        -0.25954380688750
            0.21712344096658         0.36215955627690
            0.09140867279870         0.36531570940830
   2 1 1   2 1
            0.59181727468396         0.01884804979372
            0.04368249642536         1.41610394451844
   3 2 2   2 1
            0.11731483704821         0.60417824568872
            0.05445903625004         0.88601382583276
#
Pb vDZP-GTH-q4 vDZP-PTB-GTH-q4 vDZP-UZH-q4 vDZP-PTB-UZH-q4 vDZP-q4 vDZP-PTB-q4
  5
   1 0 0   4 1
            1.34175300424060         0.77557861089797
            1.10549768954605        -1.20276530893468
            0.21169900150679         0.72370567062165
            0.12954785569091         0.25676126806581
   1 0 0   2 1
            0.54970603400906         0.13188638706674
            0.06328484951761         1.51048598761501
   2 1 1   4 1
            1.41480398918653         0.15275010408036
            1.02406921514473        -0.28887712543931
            0.18602900578223         0.43721997283876
            0.08279630098808         0.11852227375266
   2 1 1   2 1
            0.33108826957954         0.20176823986290
            0.04648291616914         3.75048882022991
   3 2 2   2 1
            0.20049367199591         0.83502337229076
            0.08826212303161         1.09540560499395
#
Bi vDZP-GTH-q5 vDZP-PTB-GTH-q5 vDZP-UZH-q5 vDZP-PTB-UZH-q5 vDZP-q5 vDZP-PTB-q5
  5
   1 0 0   4 1
            1.59845235496009         0.09050538313500
            1.02403193420120        -0.50555606492699
            0.21169436187413         0.73371685659288
            0.18831532522349         0.11202608194721
   1 0 0   2 1
            0.30242575223288         0.20951057355885
            0.08499405206959         0.59724858940490
   2 1 1   4 1
            1.49470834605789         0.39595381064317
            1.25436740987897        -0.56593184838731
            0.20717531603253         0.63855902244031
            0.07503952998793         0.14179787360372
   2 1 1   2 1
            0.19998513118126         0.11680662458728
            0.06237321551959         3.08600711795465
   3 2 2   2 1
            0.12564296739384         1.00943899937621
            0.09280945334908         0.73993427110054
#
Po vDZP-GTH-q6 vDZP-PTB-GTH-q6 vDZP-UZH-q6 vDZP-PTB-UZH-q6 vDZP-q6 vDZP-PTB-q6
  5
   1 0 0   4 1
            1.89931541220888         0.39880209925750
            1.33020568430947        -0.81981043896110
            0.29544902990459         0.53026667062275
            0.19945192242151         0.18343296426936
   1 0 0   2 1
            0.31502529952287         0.22451641180361
            0.10498841122615         0.81876495880888
   2 1 1   4 1
            1.61190963878185         0.15549939589914
            1.09986776311420        -0.39912221148899
            0.20661789993471         0.54778301985863
            0.12099013258280         0.20718032606165
   2 1 1   2 1
            0.47119770417431         0.77885406070291
            0.06260353229710         1.06639792322562
   3 2 2   2 1
            0.16543394192754         0.96030026173057
            0.06267404911583         0.78631822941379
#
At vDZP-GTH-q7 vDZP-PTB-GTH-q7 vDZP-UZH-q7 vDZP-PTB-UZH-q7 vDZP-q7 vDZP-PTB-q7
  5
   1 0 0   4 1
            1.92414858074914         0.52585666115586
            1.34668870512057        -1.06772062113143
            0.35943911322600         0.63872377476208
            0.18878211668035         0.50295381784023
   1 0 0   2 1
            0.43673304614334         0.08692638955382
            0.08666020265079         0.94350326257150
   2 1 1   4 1
            2.08254435370062         0.06257467662430
            1.16029571262260        -0.25845527622364
            0.35056346351829         0.45825780930301
            0.16022069511223         0.51568327294871
   2 1 1   2 1
            0.19131469438111         0.10470403733554
            0.06924093485824         0.92928411824138
   3 2 2   2 1
            0.28619549090604         0.17410979376391
            0.16875802583314         1.04897836888767
#
Rn vDZP-GTH-q8 vDZP-PTB-GTH-q8 vDZP-UZH-q8 vDZP-PTB-UZH-q8 vDZP-q8 vDZP-PTB-q8
  5
   1 0 0   4 1
            1.97401978255487         0.65875850313258
            1.47835650062080        -1.20401293638925
            0.33829271959307         0.97677234338510
            0.13805066199862         0.21524723337105
   1 0 0   2 1
            0.23923852240862         0.07855697441265
            0.11515673444024         1.15223879817998
   2 1 1   4 1
            1.86604611265494         0.25537876765073
            1.57233484081815        -0.37768125006842
            0.31771624709567         0.53147580674879
            0.14123987398526         0.28507231855736
   2 1 1   2 1
            0.20035395127604         0.10179947033569
            0.07719005793582         0.88190720855429
   3 2 2   2 1
            0.33306555801957         0.24571888790948
            0.21410862647938         1.21989720124417
#

# ---- PTB vDZP auxiliary basis for UZH GTH potentials ----
H vDZP-AUX-GTH-q1 vDZP-AUX-PTB-GTH-q1 vDZP-AUX-UZH-q1 vDZP-AUX-PTB-UZH-q1 vDZP-AUX-q1 vDZP-AUX-PTB-q1
  5
   1 0 0   1 1
            2.58763215999781         1.00000000000000
   1 0 0   1 1
            0.44418517897138         1.00000000000000
   1 0 0   1 1
            0.22145460210475         1.00000000000000
   2 1 1   1 1
            1.32370925037081         1.00000000000000
   2 1 1   1 1
            0.64094080508177         1.00000000000000
#
He vDZP-AUX-GTH-q2 vDZP-AUX-PTB-GTH-q2 vDZP-AUX-UZH-q2 vDZP-AUX-PTB-UZH-q2 vDZP-AUX-q2 vDZP-AUX-PTB-q2
  5
   1 0 0   1 1
           12.20842481193870         0.12046090000000
   1 0 0   1 1
            2.40459290896864         0.05924850000000
   1 0 0   1 1
            0.70825072472972         0.00512720000000
   2 1 1   1 1
            2.36042449288467         1.00000000000000
   2 1 1   1 1
            0.61112870168021         1.00000000000000
#
Li vDZP-AUX-GTH-q3 vDZP-AUX-PTB-GTH-q3 vDZP-AUX-UZH-q3 vDZP-AUX-PTB-UZH-q3 vDZP-AUX-q3 vDZP-AUX-PTB-q3
  10
   1 0 0   1 1
           46.97759060251800         1.00000000000000
   1 0 0   1 1
            9.55222114861910         1.00000000000000
   1 0 0   1 1
            2.75936225353081         1.00000000000000
   1 0 0   1 1
            0.11002379266295         1.00000000000000
   1 0 0   1 1
            0.04617080293662         1.00000000000000
   2 1 1   1 1
            2.04564231937789         1.00000000000000
   2 1 1   1 1
            0.43760045207133         1.00000000000000
   2 1 1   1 1
            0.14780763982791         1.00000000000000
   3 2 2   1 1
            0.21023075065127         1.00000000000000
   4 3 3   1 1
            0.24726883559043         1.00000000000000
#
Be vDZP-AUX-GTH-q4 vDZP-AUX-PTB-GTH-q4 vDZP-AUX-UZH-q4 vDZP-AUX-PTB-UZH-q4 vDZP-AUX-q4 vDZP-AUX-PTB-q4
  10
   1 0 0   1 1
           97.97800850951749         1.25469412000000
   1 0 0   1 1
           20.06618132031040         1.12042389000000
   1 0 0   1 1
            5.92008480152038         0.21171185100000
   1 0 0   1 1
            0.26793924148258        -0.08387090120000
   1 0 0   1 1
            0.09055085033374         0.10149228500000
   2 1 1   1 1
            3.31680139086155        -0.03355593070000
   2 1 1   1 1
            0.37129636876516        -0.03355593070000
   2 1 1   1 1
            0.11010179550441         0.01077840090000
   3 2 2   1 1
            0.50298752987506        -0.00415890587000
   4 3 3   1 1
            0.57823016296138        -0.00415890587000
#
B vDZP-AUX-GTH-q3 vDZP-AUX-PTB-GTH-q3 vDZP-AUX-UZH-q3 vDZP-AUX-PTB-UZH-q3 vDZP-AUX-q3 vDZP-AUX-PTB-q3
  9
   1 0 0   1 1
            2.19669537344424         1.00000000000000
   1 0 0   1 1
            0.53679801580325         1.00000000000000
   1 0 0   1 1
            0.24715831540034         1.00000000000000
   1 0 0   1 1
            0.10090144084123         1.00000000000000
   2 1 1   1 1
            2.23026298140494         1.00000000000000
   2 1 1   1 1
            0.48224593078408         1.00000000000000
   3 2 2   1 1
            0.95705677525159         1.00000000000000
   3 2 2   1 1
            0.22880855905497         1.00000000000000
   4 3 3   1 1
            0.86915620190657         1.00000000000000
#
C vDZP-AUX-GTH-q4 vDZP-AUX-PTB-GTH-q4 vDZP-AUX-UZH-q4 vDZP-AUX-PTB-UZH-q4 vDZP-AUX-q4 vDZP-AUX-PTB-q4
  9
   1 0 0   1 1
            4.75561826396034         1.00000000000000
   1 0 0   1 1
            0.96562358502346         1.00000000000000
   1 0 0   1 1
            0.72346830635105         1.00000000000000
   1 0 0   1 1
            0.20760384303122         1.00000000000000
   2 1 1   1 1
            2.26675017463475         1.00000000000000
   2 1 1   1 1
            0.32230602079011         1.00000000000000
   3 2 2   1 1
            1.42539650714096         1.00000000000000
   3 2 2   1 1
            0.31021933934848         1.00000000000000
   4 3 3   1 1
            1.33091981995003         1.00000000000000
#
N vDZP-AUX-GTH-q5 vDZP-AUX-PTB-GTH-q5 vDZP-AUX-UZH-q5 vDZP-AUX-PTB-UZH-q5 vDZP-AUX-q5 vDZP-AUX-PTB-q5
  9
   1 0 0   1 1
            8.70243077204809         1.00000000000000
   1 0 0   1 1
            1.18580018243494         1.00000000000000
   1 0 0   1 1
            0.67636221508017         1.00000000000000
   1 0 0   1 1
            0.25940069299221         1.00000000000000
   2 1 1   1 1
            3.66533362569003         1.00000000000000
   2 1 1   1 1
            0.38701862828745         1.00000000000000
   3 2 2   1 1
            2.31446779907765         1.00000000000000
   3 2 2   1 1
            0.45507934618620         1.00000000000000
   4 3 3   1 1
            1.44873552130314         1.00000000000000
#
O vDZP-AUX-GTH-q6 vDZP-AUX-PTB-GTH-q6 vDZP-AUX-UZH-q6 vDZP-AUX-PTB-UZH-q6 vDZP-AUX-q6 vDZP-AUX-PTB-q6
  9
   1 0 0   1 1
           13.09188066203340         1.00000000000000
   1 0 0   1 1
            1.75395024103174         1.00000000000000
   1 0 0   1 1
            0.78722620718637         1.00000000000000
   1 0 0   1 1
            0.28771198774158         1.00000000000000
   2 1 1   1 1
            3.65063284061174         1.00000000000000
   2 1 1   1 1
            0.37332273244055         1.00000000000000
   3 2 2   1 1
            4.33743611773724         1.00000000000000
   3 2 2   1 1
            0.78376832774796         1.00000000000000
   4 3 3   1 1
            1.33221163708785         1.00000000000000
#
F vDZP-AUX-GTH-q7 vDZP-AUX-PTB-GTH-q7 vDZP-AUX-UZH-q7 vDZP-AUX-PTB-UZH-q7 vDZP-AUX-q7 vDZP-AUX-PTB-q7
  9
   1 0 0   1 1
           18.47345996567590         1.00000000000000
   1 0 0   1 1
            2.34841746381784         1.00000000000000
   1 0 0   1 1
            0.94700151510375         1.00000000000000
   1 0 0   1 1
            0.35194674403239         1.00000000000000
   2 1 1   1 1
            4.11802460577144         1.00000000000000
   2 1 1   1 1
            0.68214809042388         1.00000000000000
   3 2 2   1 1
            6.50969858105996         1.00000000000000
   3 2 2   1 1
            1.51233139001892         1.00000000000000
   4 3 3   1 1
            1.22941383732902         1.00000000000000
#
Ne vDZP-AUX-GTH-q8 vDZP-AUX-PTB-GTH-q8 vDZP-AUX-UZH-q8 vDZP-AUX-PTB-UZH-q8 vDZP-AUX-q8 vDZP-AUX-PTB-q8
  9
   1 0 0   1 1
           28.57401769431160         1.00000000000000
   1 0 0   1 1
            3.02672333280987         1.00000000000000
   1 0 0   1 1
            1.16630716570044         1.00000000000000
   1 0 0   1 1
            0.44561910268534         1.00000000000000
   2 1 1   1 1
            4.67565479804022         1.00000000000000
   2 1 1   1 1
            0.52198516978152         1.00000000000000
   3 2 2   1 1
            6.22543297413166         1.00000000000000
   3 2 2   1 1
            1.31652995233477         1.00000000000000
   4 3 3   1 1
            1.85157979874978         1.00000000000000
#
Na vDZP-AUX-GTH-q9 vDZP-AUX-PTB-GTH-q9 vDZP-AUX-UZH-q9 vDZP-AUX-PTB-UZH-q9 vDZP-AUX-q9 vDZP-AUX-PTB-q9
  11
   1 0 0   1 1
           32.13976124484110         1.00000000000000
   1 0 0   1 1
            4.62472071692686         1.00000000000000
   1 0 0   1 1
            2.41126360292320         1.00000000000000
   1 0 0   1 1
            1.11730681358157         1.00000000000000
   1 0 0   1 1
            0.17562546029207         1.00000000000000
   1 0 0   1 1
            0.06688457861071         1.00000000000000
   2 1 1   1 1
            3.92876579324768         1.00000000000000
   2 1 1   1 1
            0.71911133277535         1.00000000000000
   2 1 1   1 1
            0.08888739350112         1.00000000000000
   3 2 2   1 1
            0.09890795805935         1.00000000000000
   4 3 3   1 1
            0.50300165468959         1.00000000000000
#
Mg vDZP-AUX-GTH-q10 vDZP-AUX-PTB-GTH-q10 vDZP-AUX-UZH-q10 vDZP-AUX-PTB-UZH-q10 vDZP-AUX-q10 vDZP-AUX-PTB-q10
  12
   1 0 0   1 1
           40.44201548257920         1.00000000000000
   1 0 0   1 1
            7.64559489965376         1.00000000000000
   1 0 0   1 1
            4.57639629587145         1.00000000000000
   1 0 0   1 1
            1.98162869326216         1.00000000000000
   1 0 0   1 1
            0.17052989712062         1.00000000000000
   1 0 0   1 1
            0.07093675763650         1.00000000000000
   2 1 1   1 1
            2.42520282834780         1.00000000000000
   2 1 1   1 1
            0.77802813701430         1.00000000000000
   2 1 1   1 1
            0.21265950892324         1.00000000000000
   3 2 2   1 1
            0.57296571534278         1.00000000000000
   3 2 2   1 1
            0.26183827474429         1.00000000000000
   4 3 3   1 1
            0.28714940531237         1.00000000000000
#
Al vDZP-AUX-GTH-q3 vDZP-AUX-PTB-GTH-q3 vDZP-AUX-UZH-q3 vDZP-AUX-PTB-UZH-q3 vDZP-AUX-q3 vDZP-AUX-PTB-q3
  9
   1 0 0   1 1
            1.44168018975524        -0.17087020000000
   1 0 0   1 1
            1.21032094995458         0.16415530000000
   1 0 0   1 1
            0.25912916876090         0.41499410000000
   1 0 0   1 1
            0.08545450027934         0.02076750000000
   2 1 1   1 1
            0.20561510262468         0.01818750000000
   2 1 1   1 1
            0.12157385541646         0.00283600000000
   3 2 2   1 1
            0.38174798835801        -0.03653720000000
   3 2 2   1 1
            0.13516766452929        -0.03653720000000
   4 3 3   1 1
            0.42255615437323         1.00000000000000
#
Si vDZP-AUX-GTH-q4 vDZP-AUX-PTB-GTH-q4 vDZP-AUX-UZH-q4 vDZP-AUX-PTB-UZH-q4 vDZP-AUX-q4 vDZP-AUX-PTB-q4
  9
   1 0 0   1 1
            1.75285596680746        -0.17087020000000
   1 0 0   1 1
            1.51016113161712         0.16415530000000
   1 0 0   1 1
            0.32570464083392         0.41499410000000
   1 0 0   1 1
            0.10992406529960         0.02076750000000
   2 1 1   1 1
            0.17208155478768         0.00283600000000
   2 1 1   1 1
            0.25866438907427         0.01818750000000
   3 2 2   1 1
            0.48210109226440        -0.03653720000000
   3 2 2   1 1
            0.21678302231807        -0.03653720000000
   4 3 3   1 1
            0.54117551263374         1.00000000000000
#
P vDZP-AUX-GTH-q5 vDZP-AUX-PTB-GTH-q5 vDZP-AUX-UZH-q5 vDZP-AUX-PTB-UZH-q5 vDZP-AUX-q5 vDZP-AUX-PTB-q5
  9
   1 0 0   1 1
            2.89839585800816        -0.17087020000000
   1 0 0   1 1
            1.73473113511243         0.16415530000000
   1 0 0   1 1
            0.39779041928658         0.41499410000000
   1 0 0   1 1
            0.13012119037292         0.02076750000000
   2 1 1   1 1
            2.15086607420885         0.00283600000000
   2 1 1   1 1
            0.28615255216288         0.01818750000000
   3 2 2   1 1
            0.53808063506952        -0.03653720000000
   3 2 2   1 1
            0.19138463302393        -0.03653720000000
   4 3 3   1 1
            0.66536559732904         1.00000000000000
#
S vDZP-AUX-GTH-q6 vDZP-AUX-PTB-GTH-q6 vDZP-AUX-UZH-q6 vDZP-AUX-PTB-UZH-q6 vDZP-AUX-q6 vDZP-AUX-PTB-q6
  9
   1 0 0   1 1
            8.79984969561240        -0.17087020000000
   1 0 0   1 1
            1.95326929427197         0.16415530000000
   1 0 0   1 1
            0.50845143360499         0.41499410000000
   1 0 0   1 1
            0.17040955634999         0.02076750000000
   2 1 1   1 1
            1.20943198796987         0.00283600000000
   2 1 1   1 1
            0.33737335220964         0.01818750000000
   3 2 2   1 1
            0.97838590569206        -0.03653720000000
   3 2 2   1 1
            0.31931485894977        -0.03653720000000
   4 3 3   1 1
            0.69016063364753         1.00000000000000
#
Cl vDZP-AUX-GTH-q7 vDZP-AUX-PTB-GTH-q7 vDZP-AUX-UZH-q7 vDZP-AUX-PTB-UZH-q7 vDZP-AUX-q7 vDZP-AUX-PTB-q7
  9
   1 0 0   1 1
            4.96553370638879        -0.17087020000000
   1 0 0   1 1
            3.04854346758020         0.16415530000000
   1 0 0   1 1
            0.62134543323280         0.41499410000000
   1 0 0   1 1
            0.22972291756609         0.02076750000000
   2 1 1   1 1
            1.19214026809619         0.00283600000000
   2 1 1   1 1
            0.47376425452461         0.01818750000000
   3 2 2   1 1
            1.11790748679272        -0.03653720000000
   3 2 2   1 1
            0.34751277178931        -0.03653720000000
   4 3 3   1 1
            0.75422543375396         1.00000000000000
#
Ar vDZP-AUX-GTH-q8 vDZP-AUX-PTB-GTH-q8 vDZP-AUX-UZH-q8 vDZP-AUX-PTB-UZH-q8 vDZP-AUX-q8 vDZP-AUX-PTB-q8
  9
   1 0 0   1 1
            5.34477824927003        -0.17087020000000
   1 0 0   1 1
            3.69808993888062         0.16415530000000
   1 0 0   1 1
            0.82325658621886         0.41499410000000
   1 0 0   1 1
            0.33094184700006         0.02076750000000
   2 1 1   1 1
            0.92910648194536         0.00283600000000
   2 1 1   1 1
            0.25502876190754         0.01818750000000
   3 2 2   1 1
            1.27604813021985        -0.03653720000000
   3 2 2   1 1
            0.37205864515017        -0.03653720000000
   4 3 3   1 1
            0.78015862045926         1.00000000000000
#
K vDZP-AUX-GTH-q9 vDZP-AUX-PTB-GTH-q9 vDZP-AUX-UZH-q9 vDZP-AUX-PTB-UZH-q9 vDZP-AUX-q9 vDZP-AUX-PTB-q9
  11
   1 0 0   1 1
           13.42966064051830         1.00000000000000
   1 0 0   1 1
            6.90501739981524         1.00000000000000
   1 0 0   1 1
            3.05278015085674         1.00000000000000
   1 0 0   1 1
            1.07888104124449         1.00000000000000
   1 0 0   1 1
            0.47239417919225         1.00000000000000
   1 0 0   1 1
            0.05648650193665         1.00000000000000
   2 1 1   1 1
            1.15069515257005         1.00000000000000
   2 1 1   1 1
            0.44962172710438         1.00000000000000
   2 1 1   1 1
            0.07288460757424         1.00000000000000
   3 2 2   1 1
            0.09092855513034         1.00000000000000
   4 3 3   1 1
            0.94931660797322         1.00000000000000
#
Ca vDZP-AUX-GTH-q10 vDZP-AUX-PTB-GTH-q10 vDZP-AUX-UZH-q10 vDZP-AUX-PTB-UZH-q10 vDZP-AUX-q10 vDZP-AUX-PTB-q10
  11
   1 0 0   1 1
           10.31100216902990         1.00000000000000
   1 0 0   1 1
            3.78058885588809         1.00000000000000
   1 0 0   1 1
            1.27106305507056         1.00000000000000
   1 0 0   1 1
            0.53321456747430         1.00000000000000
   1 0 0   1 1
            0.09523742985254         1.00000000000000
   2 1 1   1 1
            1.25305208012304         1.00000000000000
   2 1 1   1 1
            0.64242181851285         1.00000000000000
   2 1 1   1 1
            0.12471956521799         1.00000000000000
   3 2 2   1 1
            0.57305890272131         1.00000000000000
   3 2 2   1 1
            0.24772956474292         1.00000000000000
   4 3 3   1 1
            0.23275174081779         1.00000000000000
#
Sc vDZP-AUX-GTH-q11 vDZP-AUX-PTB-GTH-q11 vDZP-AUX-UZH-q11 vDZP-AUX-PTB-UZH-q11 vDZP-AUX-q11 vDZP-AUX-PTB-q11
  14
   1 0 0   1 1
           18.78391451583960         1.00000000000000
   1 0 0   1 1
           10.13512048987460         1.00000000000000
   1 0 0   1 1
            7.96218181851953         1.00000000000000
   1 0 0   1 1
            1.27857417068206         1.00000000000000
   1 0 0   1 1
            0.26156025243032         1.00000000000000
   1 0 0   1 1
            0.06053107287005         1.00000000000000
   2 1 1   1 1
            1.36668809063904         1.00000000000000
   2 1 1   1 1
            0.52282016443027         1.00000000000000
   2 1 1   1 1
            0.29085508012480         1.00000000000000
   3 2 2   1 1
            1.38582269331986         1.00000000000000
   3 2 2   1 1
            0.19254502428530         1.00000000000000
   4 3 3   1 1
            2.69876069000621         1.00000000000000
   4 3 3   1 1
            0.15781720180937         1.00000000000000
   5 4 4   1 1
            1.20394200855426         1.00000000000000
#
Ti vDZP-AUX-GTH-q12 vDZP-AUX-PTB-GTH-q12 vDZP-AUX-UZH-q12 vDZP-AUX-PTB-UZH-q12 vDZP-AUX-q12 vDZP-AUX-PTB-q12
  14
   1 0 0   1 1
           13.99142569515290         1.00000000000000
   1 0 0   1 1
           10.94067053862730         1.00000000000000
   1 0 0   1 1
            7.84681781318056         1.00000000000000
   1 0 0   1 1
            1.68918951281582         1.00000000000000
   1 0 0   1 1
            0.66511946056686         1.00000000000000
   1 0 0   1 1
            0.13014318455331         1.00000000000000
   2 1 1   1 1
            1.50577570511247         1.00000000000000
   2 1 1   1 1
            0.68626771585730         1.00000000000000
   2 1 1   1 1
            0.20309697331421         1.00000000000000
   3 2 2   1 1
            2.36752677639140         1.00000000000000
   3 2 2   1 1
            0.52288680828472         1.00000000000000
   4 3 3   1 1
            3.38449044065775         1.00000000000000
   4 3 3   1 1
            0.31755522623137         1.00000000000000
   5 4 4   1 1
            1.99427754518508         1.00000000000000
#
V vDZP-AUX-GTH-q13 vDZP-AUX-PTB-GTH-q13 vDZP-AUX-UZH-q13 vDZP-AUX-PTB-UZH-q13 vDZP-AUX-q13 vDZP-AUX-PTB-q13
  14
   1 0 0   1 1
            7.35344855017898         1.00000000000000
   1 0 0   1 1
            6.08785314969156         1.00000000000000
   1 0 0   1 1
            5.05139614958031         1.00000000000000
   1 0 0   1 1
            1.57189892482512         1.00000000000000
   1 0 0   1 1
            0.50692645772271         1.00000000000000
   1 0 0   1 1
            0.12005984419361         1.00000000000000
   2 1 1   1 1
            2.96666998820725         1.00000000000000
   2 1 1   1 1
            1.17154140619478         1.00000000000000
   2 1 1   1 1
            0.21249327850920         1.00000000000000
   3 2 2   1 1
            2.28260194470363         1.00000000000000
   3 2 2   1 1
            0.29820270756703         1.00000000000000
   4 3 3   1 1
            3.84798683062750         1.00000000000000
   4 3 3   1 1
            0.40310575175395         1.00000000000000
   5 4 4   1 1
            2.65324645396603         1.00000000000000
#
Cr vDZP-AUX-GTH-q14 vDZP-AUX-PTB-GTH-q14 vDZP-AUX-UZH-q14 vDZP-AUX-PTB-UZH-q14 vDZP-AUX-q14 vDZP-AUX-PTB-q14
  14
   1 0 0   1 1
           20.18342762413530         1.00000000000000
   1 0 0   1 1
           15.00961258904560         1.00000000000000
   1 0 0   1 1
           14.27310630435270         1.00000000000000
   1 0 0   1 1
            1.79195384042773         1.00000000000000
   1 0 0   1 1
            0.33171892305889         1.00000000000000
   1 0 0   1 1
            0.05579491958844         1.00000000000000
   2 1 1   1 1
            1.81315575752394         1.00000000000000
   2 1 1   1 1
            0.96013562239457         1.00000000000000
   2 1 1   1 1
            0.21734745724291         1.00000000000000
   3 2 2   1 1
            2.37116576682886         1.00000000000000
   3 2 2   1 1
            0.38802252254574         1.00000000000000
   4 3 3   1 1
            4.12506205268353         1.00000000000000
   4 3 3   1 1
            0.37023509104382         1.00000000000000
   5 4 4   1 1
            3.18493291391658         1.00000000000000
#
Mn vDZP-AUX-GTH-q15 vDZP-AUX-PTB-GTH-q15 vDZP-AUX-UZH-q15 vDZP-AUX-PTB-UZH-q15 vDZP-AUX-q15 vDZP-AUX-PTB-q15
  14
   1 0 0   1 1
           18.36035094476490         1.00000000000000
   1 0 0   1 1
           15.25999584785040         1.00000000000000
   1 0 0   1 1
           14.33507010650130         1.00000000000000
   1 0 0   1 1
            2.19237178096763         1.00000000000000
   1 0 0   1 1
            0.66964942427011         1.00000000000000
   1 0 0   1 1
            0.15245211524769         1.00000000000000
   2 1 1   1 1
            1.72074147081893         1.00000000000000
   2 1 1   1 1
            0.98834323283776         1.00000000000000
   2 1 1   1 1
            0.19116393573190         1.00000000000000
   3 2 2   1 1
            4.42290068093086         1.00000000000000
   3 2 2   1 1
            1.11529657755229         1.00000000000000
   4 3 3   1 1
            5.04823854279741         1.00000000000000
   4 3 3   1 1
            0.46045715692225         1.00000000000000
   5 4 4   1 1
            3.86139008004574         1.00000000000000
#
Fe vDZP-AUX-GTH-q16 vDZP-AUX-PTB-GTH-q16 vDZP-AUX-UZH-q16 vDZP-AUX-PTB-UZH-q16 vDZP-AUX-q16 vDZP-AUX-PTB-q16
  14
   1 0 0   1 1
           18.68446917164960         1.00000000000000
   1 0 0   1 1
           17.01108530639500         1.00000000000000
   1 0 0   1 1
           16.17168324288900         1.00000000000000
   1 0 0   1 1
            2.47788456596308         1.00000000000000
   1 0 0   1 1
            0.79837676097961         1.00000000000000
   1 0 0   1 1
            0.17854444882877         1.00000000000000
   2 1 1   1 1
            1.74344214601494         1.00000000000000
   2 1 1   1 1
            0.83160436589569         1.00000000000000
   2 1 1   1 1
            0.24076741443740         1.00000000000000
   3 2 2   1 1
            4.08449106569353         1.00000000000000
   3 2 2   1 1
            0.84034205370496         1.00000000000000
   4 3 3   1 1
            5.40124527390390         1.00000000000000
   4 3 3   1 1
            0.55417668085849         1.00000000000000
   5 4 4   1 1
            4.16371944474941         1.00000000000000
#
Co vDZP-AUX-GTH-q17 vDZP-AUX-PTB-GTH-q17 vDZP-AUX-UZH-q17 vDZP-AUX-PTB-UZH-q17 vDZP-AUX-q17 vDZP-AUX-PTB-q17
  14
   1 0 0   1 1
           10.46821394392920         1.00000000000000
   1 0 0   1 1
            9.88686903462005         1.00000000000000
   1 0 0   1 1
            9.26975756371844         1.00000000000000
   1 0 0   1 1
            2.50984022264252         1.00000000000000
   1 0 0   1 1
            0.76409335854040         1.00000000000000
   1 0 0   1 1
            0.17117985137724         1.00000000000000
   2 1 1   1 1
            2.09007462917547         1.00000000000000
   2 1 1   1 1
            0.91625867975446         1.00000000000000
   2 1 1   1 1
            0.21772059533121         1.00000000000000
   3 2 2   1 1
            6.28734997508558         1.00000000000000
   3 2 2   1 1
            1.63127528157876         1.00000000000000
   4 3 3   1 1
            6.12739922640022         1.00000000000000
   4 3 3   1 1
            0.59992737582566         1.00000000000000
   5 4 4   1 1
            5.09302535049986         1.00000000000000
#
Ni vDZP-AUX-GTH-q18 vDZP-AUX-PTB-GTH-q18 vDZP-AUX-UZH-q18 vDZP-AUX-PTB-UZH-q18 vDZP-AUX-q18 vDZP-AUX-PTB-q18
  14
   1 0 0   1 1
           24.60447718377300         1.00000000000000
   1 0 0   1 1
           22.43398064860400         1.00000000000000
   1 0 0   1 1
           19.50944278113410         1.00000000000000
   1 0 0   1 1
            3.01524591386582         1.00000000000000
   1 0 0   1 1
            0.94448049070420         1.00000000000000
   1 0 0   1 1
            0.20132836686963         1.00000000000000
   2 1 1   1 1
            2.25228758632098         1.00000000000000
   2 1 1   1 1
            1.10794135627802         1.00000000000000
   2 1 1   1 1
            0.26025518483767         1.00000000000000
   3 2 2   1 1
            5.65021248776250         1.00000000000000
   3 2 2   1 1
            1.32150853185288         1.00000000000000
   4 3 3   1 1
            6.99489788672791         1.00000000000000
   4 3 3   1 1
            0.59203015781037         1.00000000000000
   5 4 4   1 1
            5.95979552018491         1.00000000000000
#
Cu vDZP-AUX-GTH-q19 vDZP-AUX-PTB-GTH-q19 vDZP-AUX-UZH-q19 vDZP-AUX-PTB-UZH-q19 vDZP-AUX-q19 vDZP-AUX-PTB-q19
  14
   1 0 0   1 1
           26.06725837340120         1.00000000000000
   1 0 0   1 1
           21.92528394321280         1.00000000000000
   1 0 0   1 1
           20.72885686429750         1.00000000000000
   1 0 0   1 1
            3.34879861501588         1.00000000000000
   1 0 0   1 1
            1.12446741027439         1.00000000000000
   1 0 0   1 1
            0.24145916653736         1.00000000000000
   2 1 1   1 1
            2.91875027254152         1.00000000000000
   2 1 1   1 1
            0.96477386960092         1.00000000000000
   2 1 1   1 1
            0.29852491835755         1.00000000000000
   3 2 2   1 1
            5.16516177661104         1.00000000000000
   3 2 2   1 1
            1.18579736518309         1.00000000000000
   4 3 3   1 1
            8.28409650071314         1.00000000000000
   4 3 3   1 1
            0.53823435121356         1.00000000000000
   5 4 4   1 1
            6.56990830031592         1.00000000000000
#
Zn vDZP-AUX-GTH-q20 vDZP-AUX-PTB-GTH-q20 vDZP-AUX-UZH-q20 vDZP-AUX-PTB-UZH-q20 vDZP-AUX-q20 vDZP-AUX-PTB-q20
  14
   1 0 0   1 1
           27.81571613245060         1.00000000000000
   1 0 0   1 1
           24.45302377560190         1.00000000000000
   1 0 0   1 1
           23.23863627895970         1.00000000000000
   1 0 0   1 1
            3.64311018648051         1.00000000000000
   1 0 0   1 1
            1.21503586066330         1.00000000000000
   1 0 0   1 1
            0.24474961663794         1.00000000000000
   2 1 1   1 1
            2.72349892662438         1.00000000000000
   2 1 1   1 1
            0.90482086731811         1.00000000000000
   2 1 1   1 1
            0.24147605191082         1.00000000000000
   3 2 2   1 1
            5.44868441901351         1.00000000000000
   3 2 2   1 1
            1.53103018665673         1.00000000000000
   4 3 3   1 1
            6.61620600851292         1.00000000000000
   4 3 3   1 1
            0.59937270135774         1.00000000000000
   5 4 4   1 1
            7.02335691760327         1.00000000000000
#
Ga vDZP-AUX-GTH-q3 vDZP-AUX-PTB-GTH-q3 vDZP-AUX-UZH-q3 vDZP-AUX-PTB-UZH-q3 vDZP-AUX-q3 vDZP-AUX-PTB-q3
  8
   1 0 0   1 1
            0.86325788716079         0.16415530000000
   1 0 0   1 1
            0.30186643733555         0.41499410000000
   1 0 0   1 1
            0.08921470882867         0.02076750000000
   2 1 1   1 1
            0.25972342952565         0.00283600000000
   2 1 1   1 1
            0.09837615556226         0.01818750000000
   3 2 2   1 1
            0.34224023540260        -0.03653720000000
   3 2 2   1 1
            0.12088095315985        -0.03653720000000
   4 3 3   1 1
            0.37178160762570         1.00000000000000
#
Ge vDZP-AUX-GTH-q4 vDZP-AUX-PTB-GTH-q4 vDZP-AUX-UZH-q4 vDZP-AUX-PTB-UZH-q4 vDZP-AUX-q4 vDZP-AUX-PTB-q4
  8
   1 0 0   1 1
            0.80722935481937         0.16415530000000
   1 0 0   1 1
            0.36956071761541         0.41499410000000
   1 0 0   1 1
            0.11251015182368         0.02076750000000
   2 1 1   1 1
            0.56078185151027         0.00283600000000
   2 1 1   1 1
            0.20603833028549         0.01818750000000
   3 2 2   1 1
            0.46907448152754        -0.03653720000000
   3 2 2   1 1
            0.24315646187652        -0.03653720000000
   4 3 3   1 1
            0.43450972295057         1.00000000000000
#
As vDZP-AUX-GTH-q5 vDZP-AUX-PTB-GTH-q5 vDZP-AUX-UZH-q5 vDZP-AUX-PTB-UZH-q5 vDZP-AUX-q5 vDZP-AUX-PTB-q5
  9
   1 0 0   1 1
            2.54066503096895        -0.17087020000000
   1 0 0   1 1
            1.85957854335488         0.16415530000000
   1 0 0   1 1
            0.36074004916936         0.41499410000000
   1 0 0   1 1
            0.13237181592733         0.02076750000000
   2 1 1   1 1
            0.53926816669937         0.00283600000000
   2 1 1   1 1
            0.33812153832637         0.01818750000000
   3 2 2   1 1
            0.48482019855662        -0.03653720000000
   3 2 2   1 1
            0.20105844670854        -0.03653720000000
   4 3 3   1 1
            0.47555374201274         1.00000000000000
#
Se vDZP-AUX-GTH-q6 vDZP-AUX-PTB-GTH-q6 vDZP-AUX-UZH-q6 vDZP-AUX-PTB-UZH-q6 vDZP-AUX-q6 vDZP-AUX-PTB-q6
  9
   1 0 0   1 1
            2.76567215786041        -0.17087020000000
   1 0 0   1 1
            2.14587576248246         0.16415530000000
   1 0 0   1 1
            0.42429972096755         0.41499410000000
   1 0 0   1 1
            0.15085665300572         0.02076750000000
   2 1 1   1 1
            0.69891321386839         0.00283600000000
   2 1 1   1 1
            0.35893966209708         0.01818750000000
   3 2 2   1 1
            0.63504010027284        -0.03653720000000
   3 2 2   1 1
            0.22178761917100        -0.03653720000000
   4 3 3   1 1
            0.51166014838556         1.00000000000000
#
Br vDZP-AUX-GTH-q7 vDZP-AUX-PTB-GTH-q7 vDZP-AUX-UZH-q7 vDZP-AUX-PTB-UZH-q7 vDZP-AUX-q7 vDZP-AUX-PTB-q7
  9
   1 0 0   1 1
            3.15898652129493        -0.17087020000000
   1 0 0   1 1
            2.42118124595487         0.16415530000000
   1 0 0   1 1
            0.49740992680605         0.41499410000000
   1 0 0   1 1
            0.18789424910494         0.02076750000000
   2 1 1   1 1
            0.81698475296062         0.00283600000000
   2 1 1   1 1
            0.39821541712479         0.01818750000000
   3 2 2   1 1
            0.73207269105516        -0.03653720000000
   3 2 2   1 1
            0.23303168674509        -0.03653720000000
   4 3 3   1 1
            0.57308060588077         1.00000000000000
#
Kr vDZP-AUX-GTH-q8 vDZP-AUX-PTB-GTH-q8 vDZP-AUX-UZH-q8 vDZP-AUX-PTB-UZH-q8 vDZP-AUX-q8 vDZP-AUX-PTB-q8
  9
   1 0 0   1 1
            2.85532020716733        -0.17087020000000
   1 0 0   1 1
            3.10144050238725         0.16415530000000
   1 0 0   1 1
            0.61233936865947         0.41499410000000
   1 0 0   1 1
            0.25211184067057         0.02076750000000
   2 1 1   1 1
            0.61167377308706         0.00283600000000
   2 1 1   1 1
            0.22869322232704         0.01818750000000
   3 2 2   1 1
            0.76387018971001        -0.03653720000000
   3 2 2   1 1
            0.25436691397999        -0.03653720000000
   4 3 3   1 1
            0.49000807922619         1.00000000000000
#
Rb vDZP-AUX-GTH-q9 vDZP-AUX-PTB-GTH-q9 vDZP-AUX-UZH-q9 vDZP-AUX-PTB-UZH-q9 vDZP-AUX-q9 vDZP-AUX-PTB-q9
  11
   1 0 0   1 1
            8.54565608724494         1.00000000000000
   1 0 0   1 1
            6.79767171554752         1.00000000000000
   1 0 0   1 1
            1.85315868093063         1.00000000000000
   1 0 0   1 1
            0.97285468898299         1.00000000000000
   1 0 0   1 1
            0.42236609103313         1.00000000000000
   1 0 0   1 1
            0.05221926253665         1.00000000000000
   2 1 1   1 1
            0.69938790414627         1.00000000000000
   2 1 1   1 1
            0.39329067647445         1.00000000000000
   2 1 1   1 1
            0.05198441271282         1.00000000000000
   3 2 2   1 1
            0.07113815849076         1.00000000000000
   4 3 3   1 1
            0.65800221487314         1.00000000000000
#
Sr vDZP-AUX-GTH-q10 vDZP-AUX-PTB-GTH-q10 vDZP-AUX-UZH-q10 vDZP-AUX-PTB-UZH-q10 vDZP-AUX-q10 vDZP-AUX-PTB-q10
  12
   1 0 0   1 1
            6.61599580289100         1.00000000000000
   1 0 0   1 1
            4.28443534423691         1.00000000000000
   1 0 0   1 1
            2.58878351530619         1.00000000000000
   1 0 0   1 1
            0.93128683042620         1.00000000000000
   1 0 0   1 1
            0.42451089373378         1.00000000000000
   1 0 0   1 1
            0.07604226278936         1.00000000000000
   2 1 1   1 1
            0.57724894629762         1.00000000000000
   2 1 1   1 1
            0.42465731637509         1.00000000000000
   2 1 1   1 1
            0.10420463445413         1.00000000000000
   3 2 2   1 1
            0.91458753658000         1.00000000000000
   3 2 2   1 1
            0.29342754788479         1.00000000000000
   4 3 3   1 1
            0.52324063720838         1.00000000000000
#
Y vDZP-AUX-GTH-q11 vDZP-AUX-PTB-GTH-q11 vDZP-AUX-UZH-q11 vDZP-AUX-PTB-UZH-q11 vDZP-AUX-q11 vDZP-AUX-PTB-q11
  14
   1 0 0   1 1
            7.57344689686538         1.00000000000000
   1 0 0   1 1
            4.63229921516250         1.00000000000000
   1 0 0   1 1
            4.41344847546484         1.00000000000000
   1 0 0   1 1
            0.98884515477931         1.00000000000000
   1 0 0   1 1
            0.37335280589195         1.00000000000000
   1 0 0   1 1
            0.08628742048829         1.00000000000000
   2 1 1   1 1
            1.23839057782416         1.00000000000000
   2 1 1   1 1
            0.48320587774441         1.00000000000000
   2 1 1   1 1
            0.11457076581516         1.00000000000000
   3 2 2   1 1
            0.68626848350805         1.00000000000000
   3 2 2   1 1
            0.17458233677146         1.00000000000000
   4 3 3   1 1
            1.26172194530887         1.00000000000000
   4 3 3   1 1
            0.19055185835544         1.00000000000000
   5 4 4   1 1
            0.50881176410317         1.00000000000000
#
Zr vDZP-AUX-GTH-q12 vDZP-AUX-PTB-GTH-q12 vDZP-AUX-UZH-q12 vDZP-AUX-PTB-UZH-q12 vDZP-AUX-q12 vDZP-AUX-PTB-q12
  14
   1 0 0   1 1
            6.28705395395257         1.00000000000000
   1 0 0   1 1
            5.74282576798893         1.00000000000000
   1 0 0   1 1
            4.96630408674780         1.00000000000000
   1 0 0   1 1
            1.11208616810956         1.00000000000000
   1 0 0   1 1
            0.37445440283177         1.00000000000000
   1 0 0   1 1
            0.09575536029298         1.00000000000000
   2 1 1   1 1
            0.80947489410364         1.00000000000000
   2 1 1   1 1
            0.69636130475714         1.00000000000000
   2 1 1   1 1
            0.11511917988827         1.00000000000000
   3 2 2   1 1
            0.68392152446899         1.00000000000000
   3 2 2   1 1
            0.15877765498493         1.00000000000000
   4 3 3   1 1
            1.51633019382701         1.00000000000000
   4 3 3   1 1
            0.36479042285730         1.00000000000000
   5 4 4   1 1
            0.82306629544905         1.00000000000000
#
Nb vDZP-AUX-GTH-q13 vDZP-AUX-PTB-GTH-q13 vDZP-AUX-UZH-q13 vDZP-AUX-PTB-UZH-q13 vDZP-AUX-q13 vDZP-AUX-PTB-q13
  14
   1 0 0   1 1
            6.71418567157920         1.00000000000000
   1 0 0   1 1
            6.21436915132042         1.00000000000000
   1 0 0   1 1
            5.63639776501694         1.00000000000000
   1 0 0   1 1
            1.21483073687860         1.00000000000000
   1 0 0   1 1
            0.40925039976094         1.00000000000000
   1 0 0   1 1
            0.10480603821259         1.00000000000000
   2 1 1   1 1
            0.97296629407396         1.00000000000000
   2 1 1   1 1
            0.84824420407772         1.00000000000000
   2 1 1   1 1
            0.15758269077492         1.00000000000000
   3 2 2   1 1
            1.04758496452002         1.00000000000000
   3 2 2   1 1
            0.28211348557258         1.00000000000000
   4 3 3   1 1
            1.88324526873343         1.00000000000000
   4 3 3   1 1
            0.31913203459489         1.00000000000000
   5 4 4   1 1
            1.06453711842673         1.00000000000000
#
Mo vDZP-AUX-GTH-q14 vDZP-AUX-PTB-GTH-q14 vDZP-AUX-UZH-q14 vDZP-AUX-PTB-UZH-q14 vDZP-AUX-q14 vDZP-AUX-PTB-q14
  14
   1 0 0   1 1
            6.90686154623290         1.00000000000000
   1 0 0   1 1
            6.60295412025287         1.00000000000000
   1 0 0   1 1
            5.73938762682896         1.00000000000000
   1 0 0   1 1
            1.39020894405756         1.00000000000000
   1 0 0   1 1
            0.50628728338467         1.00000000000000
   1 0 0   1 1
            0.13708408265290         1.00000000000000
   2 1 1   1 1
            1.18424956111610         1.00000000000000
   2 1 1   1 1
            0.99655716092820         1.00000000000000
   2 1 1   1 1
            0.17978618692547         1.00000000000000
   3 2 2   1 1
            1.09900744985967         1.00000000000000
   3 2 2   1 1
            0.27487916546882         1.00000000000000
   4 3 3   1 1
            2.06951803991538         1.00000000000000
   4 3 3   1 1
            0.32104367130086         1.00000000000000
   5 4 4   1 1
            1.36529279521812         1.00000000000000
#
Tc vDZP-AUX-GTH-q15 vDZP-AUX-PTB-GTH-q15 vDZP-AUX-UZH-q15 vDZP-AUX-PTB-UZH-q15 vDZP-AUX-q15 vDZP-AUX-PTB-q15
  14
   1 0 0   1 1
           13.08883191990830         1.00000000000000
   1 0 0   1 1
            7.17589075843515         1.00000000000000
   1 0 0   1 1
            5.17064575561018         1.00000000000000
   1 0 0   1 1
            1.48593911657979         1.00000000000000
   1 0 0   1 1
            0.54142551361535         1.00000000000000
   1 0 0   1 1
            0.13731353230162         1.00000000000000
   2 1 1   1 1
            1.25418300078286         1.00000000000000
   2 1 1   1 1
            0.52003030473018         1.00000000000000
   2 1 1   1 1
            0.08337421690830         1.00000000000000
   3 2 2   1 1
            1.37490381272070         1.00000000000000
   3 2 2   1 1
            0.46856455749669         1.00000000000000
   4 3 3   1 1
            2.36915508474543         1.00000000000000
   4 3 3   1 1
            0.33453090105221         1.00000000000000
   5 4 4   1 1
            1.43604326411704         1.00000000000000
#
Ru vDZP-AUX-GTH-q16 vDZP-AUX-PTB-GTH-q16 vDZP-AUX-UZH-q16 vDZP-AUX-PTB-UZH-q16 vDZP-AUX-q16 vDZP-AUX-PTB-q16
  14
   1 0 0   1 1
           14.06529296287820         1.00000000000000
   1 0 0   1 1
            7.88527832773615         1.00000000000000
   1 0 0   1 1
            5.39354672539208         1.00000000000000
   1 0 0   1 1
            1.62060980641605         1.00000000000000
   1 0 0   1 1
            0.58840278771115         1.00000000000000
   1 0 0   1 1
            0.16700632125580         1.00000000000000
   2 1 1   1 1
            0.77561819170043         1.00000000000000
   2 1 1   1 1
            0.38239306460907         1.00000000000000
   2 1 1   1 1
            0.13495951817982         1.00000000000000
   3 2 2   1 1
            1.30536767036460         1.00000000000000
   3 2 2   1 1
            0.40125608820325         1.00000000000000
   4 3 3   1 1
            2.39673211534375         1.00000000000000
   4 3 3   1 1
            0.41516179070094         1.00000000000000
   5 4 4   1 1
            1.66692257807726         1.00000000000000
#
Rh vDZP-AUX-GTH-q17 vDZP-AUX-PTB-GTH-q17 vDZP-AUX-UZH-q17 vDZP-AUX-PTB-UZH-q17 vDZP-AUX-q17 vDZP-AUX-PTB-q17
  14
   1 0 0   1 1
            9.13620562375410         1.00000000000000
   1 0 0   1 1
            8.80205654838564         1.00000000000000
   1 0 0   1 1
            7.33428775443418         1.00000000000000
   1 0 0   1 1
            1.62854296706569         1.00000000000000
   1 0 0   1 1
            0.56177523496256         1.00000000000000
   1 0 0   1 1
            0.15691618044738         1.00000000000000
   2 1 1   1 1
            0.92204240854659         1.00000000000000
   2 1 1   1 1
            0.35998934240183         1.00000000000000
   2 1 1   1 1
            0.12565067679440         1.00000000000000
   3 2 2   1 1
            1.35801505201822         1.00000000000000
   3 2 2   1 1
            0.35997206836700         1.00000000000000
   4 3 3   1 1
            2.58147670714016         1.00000000000000
   4 3 3   1 1
            0.50754490382030         1.00000000000000
   5 4 4   1 1
            2.00645587780410         1.00000000000000
#
Pd vDZP-AUX-GTH-q18 vDZP-AUX-PTB-GTH-q18 vDZP-AUX-UZH-q18 vDZP-AUX-PTB-UZH-q18 vDZP-AUX-q18 vDZP-AUX-PTB-q18
  14
   1 0 0   1 1
           10.77872473753730         1.00000000000000
   1 0 0   1 1
            8.68217322736009         1.00000000000000
   1 0 0   1 1
            8.14428846427222         1.00000000000000
   1 0 0   1 1
            1.70969668505730         1.00000000000000
   1 0 0   1 1
            0.59034367777737         1.00000000000000
   1 0 0   1 1
            0.16713491908912         1.00000000000000
   2 1 1   1 1
            0.78100812332493         1.00000000000000
   2 1 1   1 1
            0.49957698010479         1.00000000000000
   2 1 1   1 1
            0.13635339429682         1.00000000000000
   3 2 2   1 1
            1.59155755798571         1.00000000000000
   3 2 2   1 1
            0.78092658664228         1.00000000000000
   4 3 3   1 1
            2.88200096936253         1.00000000000000
   4 3 3   1 1
            0.49679376686473         1.00000000000000
   5 4 4   1 1
            2.29474470634891         1.00000000000000
#
Ag vDZP-AUX-GTH-q19 vDZP-AUX-PTB-GTH-q19 vDZP-AUX-UZH-q19 vDZP-AUX-PTB-UZH-q19 vDZP-AUX-q19 vDZP-AUX-PTB-q19
  14
   1 0 0   1 1
           13.11920821541090         1.00000000000000
   1 0 0   1 1
            8.75654341407161         1.00000000000000
   1 0 0   1 1
            8.16921418934152         1.00000000000000
   1 0 0   1 1
            1.88397597812005         1.00000000000000
   1 0 0   1 1
            0.70081112657995         1.00000000000000
   1 0 0   1 1
            0.18696438033596         1.00000000000000
   2 1 1   1 1
            1.05796075068655         1.00000000000000
   2 1 1   1 1
            0.38100639255170         1.00000000000000
   2 1 1   1 1
            0.13006910201704         1.00000000000000
   3 2 2   1 1
            1.38455808296457         1.00000000000000
   3 2 2   1 1
            0.80099737394897         1.00000000000000
   4 3 3   1 1
            2.28747164314085         1.00000000000000
   4 3 3   1 1
            0.50144950985265         1.00000000000000
   5 4 4   1 1
            2.50889599772499         1.00000000000000
#
Cd vDZP-AUX-GTH-q20 vDZP-AUX-PTB-GTH-q20 vDZP-AUX-UZH-q20 vDZP-AUX-PTB-UZH-q20 vDZP-AUX-q20 vDZP-AUX-PTB-q20
  14
   1 0 0   1 1
           11.47056561703430         1.00000000000000
   1 0 0   1 1
           10.29860586659120         1.00000000000000
   1 0 0   1 1
            8.79909882965073         1.00000000000000
   1 0 0   1 1
            2.06868549573347         1.00000000000000
   1 0 0   1 1
            0.79082565684376         1.00000000000000
   1 0 0   1 1
            0.21379756992293         1.00000000000000
   2 1 1   1 1
            0.87794128162723         1.00000000000000
   2 1 1   1 1
            0.39298177037109         1.00000000000000
   2 1 1   1 1
            0.17373171416302         1.00000000000000
   3 2 2   1 1
            1.90515097154659         1.00000000000000
   3 2 2   1 1
            0.92158346649423         1.00000000000000
   4 3 3   1 1
            3.18802618961165         1.00000000000000
   4 3 3   1 1
            0.41826231601239         1.00000000000000
   5 4 4   1 1
            2.61303848172434         1.00000000000000
#
In vDZP-AUX-GTH-q3 vDZP-AUX-PTB-GTH-q3 vDZP-AUX-UZH-q3 vDZP-AUX-PTB-UZH-q3 vDZP-AUX-q3 vDZP-AUX-PTB-q3
  9
   1 0 0   1 1
            1.20708400014062         0.16415530000000
   1 0 0   1 1
            0.88648834995699        -0.17087020000000
   1 0 0   1 1
            0.24022176902287         0.41499410000000
   1 0 0   1 1
            0.07734032619005         0.02076750000000
   2 1 1   1 1
            0.25669594715048         0.00283600000000
   2 1 1   1 1
            0.13200646143405         0.01818750000000
   3 2 2   1 1
            0.24487483488654        -0.03653720000000
   3 2 2   1 1
            0.09909420036574        -0.03653720000000
   4 3 3   1 1
            0.27416899421366         1.00000000000000
#
Sn vDZP-AUX-GTH-q4 vDZP-AUX-PTB-GTH-q4 vDZP-AUX-UZH-q4 vDZP-AUX-PTB-UZH-q4 vDZP-AUX-q4 vDZP-AUX-PTB-q4
  9
   1 0 0   1 1
            1.62246599558551        -0.17087020000000
   1 0 0   1 1
            1.05925520885184         0.16415530000000
   1 0 0   1 1
            0.27055161376986         0.41499410000000
   1 0 0   1 1
            0.09588358892042         0.02076750000000
   2 1 1   1 1
            0.31215745913285         0.00283600000000
   2 1 1   1 1
            0.16369624917197         0.01818750000000
   3 2 2   1 1
            0.29974931943573        -0.03653720000000
   3 2 2   1 1
            0.18266734357580        -0.03653720000000
   4 3 3   1 1
            0.33283165659189         1.00000000000000
#
Sb vDZP-AUX-GTH-q5 vDZP-AUX-PTB-GTH-q5 vDZP-AUX-UZH-q5 vDZP-AUX-PTB-UZH-q5 vDZP-AUX-q5 vDZP-AUX-PTB-q5
  9
   1 0 0   1 1
            1.34877833879472        -0.17087020000000
   1 0 0   1 1
            1.26420595211769         0.16415530000000
   1 0 0   1 1
            0.29842796805603         0.41499410000000
   1 0 0   1 1
            0.11854054743634         0.02076750000000
   2 1 1   1 1
            0.34746366869630         0.00283600000000
   2 1 1   1 1
            0.26459137561281         0.01818750000000
   3 2 2   1 1
            0.31347842422447        -0.03653720000000
   3 2 2   1 1
            0.16517108898411        -0.03653720000000
   4 3 3   1 1
            0.36339618866060         1.00000000000000
#
Te vDZP-AUX-GTH-q6 vDZP-AUX-PTB-GTH-q6 vDZP-AUX-UZH-q6 vDZP-AUX-PTB-UZH-q6 vDZP-AUX-q6 vDZP-AUX-PTB-q6
  9
   1 0 0   1 1
            1.53137090027342        -0.17087020000000
   1 0 0   1 1
            1.27071450927652         0.16415530000000
   1 0 0   1 1
            0.38014731393548         0.41499410000000
   1 0 0   1 1
            0.16579508448836         0.02076750000000
   2 1 1   1 1
            0.43825960700593         0.00283600000000
   2 1 1   1 1
            0.19577260455004         0.01818750000000
   3 2 2   1 1
            0.45092740016232        -0.03653720000000
   3 2 2   1 1
            0.26461320907976        -0.03653720000000
   4 3 3   1 1
            0.35249555433890         1.00000000000000
#
I vDZP-AUX-GTH-q7 vDZP-AUX-PTB-GTH-q7 vDZP-AUX-UZH-q7 vDZP-AUX-PTB-UZH-q7 vDZP-AUX-q7 vDZP-AUX-PTB-q7
  9
   1 0 0   1 1
            1.80752762179449         1.00000000000000
   1 0 0   1 1
            1.39357187515277         0.16415530000000
   1 0 0   1 1
            0.39575913557747         0.41499410000000
   1 0 0   1 1
            0.15930409068333         0.02076750000000
   2 1 1   1 1
            0.31099191757827         0.00283600000000
   2 1 1   1 1
            0.48315346518094         0.01818750000000
   3 2 2   1 1
            0.45807494974825        -0.03653720000000
   3 2 2   1 1
            0.20151036116757        -0.03653720000000
   4 3 3   1 1
            0.40120177598656         1.00000000000000
#
Xe vDZP-AUX-GTH-q8 vDZP-AUX-PTB-GTH-q8 vDZP-AUX-UZH-q8 vDZP-AUX-PTB-UZH-q8 vDZP-AUX-q8 vDZP-AUX-PTB-q8
  9
   1 0 0   1 1
            1.86229379704228         1.00000000000000
   1 0 0   1 1
            1.49096737976634         0.16415530000000
   1 0 0   1 1
            0.50645133975056         0.41499410000000
   1 0 0   1 1
            0.21485470305187         0.02076750000000
   2 1 1   1 1
            0.17640946408577         0.00283600000000
   2 1 1   1 1
            0.35620207426583         0.01818750000000
   3 2 2   1 1
            0.46520459730945        -0.03653720000000
   3 2 2   1 1
            0.18716903029266        -0.03653720000000
   4 3 3   1 1
            0.27643831702662         1.00000000000000
#
Cs vDZP-AUX-GTH-q9 vDZP-AUX-PTB-GTH-q9 vDZP-AUX-UZH-q9 vDZP-AUX-PTB-UZH-q9 vDZP-AUX-q9 vDZP-AUX-PTB-q9
  11
   1 0 0   1 1
            8.92051762122308         1.00000000000000
   1 0 0   1 1
            3.58173954609842         1.00000000000000
   1 0 0   1 1
            2.67421573438914         1.00000000000000
   1 0 0   1 1
            2.41883128454474         1.00000000000000
   1 0 0   1 1
            0.43677987624317         1.00000000000000
   1 0 0   1 1
            0.05121721170748         1.00000000000000
   2 1 1   1 1
            0.41220553938934         1.00000000000000
   2 1 1   1 1
            0.25117238212435         1.00000000000000
   2 1 1   1 1
            0.06810959628477         1.00000000000000
   3 2 2   1 1
            0.23312463093618         1.00000000000000
   4 3 3   1 1
            0.31726754144623         1.00000000000000
#
Ba vDZP-AUX-GTH-q10 vDZP-AUX-PTB-GTH-q10 vDZP-AUX-UZH-q10 vDZP-AUX-PTB-UZH-q10 vDZP-AUX-q10 vDZP-AUX-PTB-q10
  12
   1 0 0   1 1
            2.94238324697398         1.00000000000000
   1 0 0   1 1
            2.40860819455947         1.00000000000000
   1 0 0   1 1
            1.76379611104000         1.00000000000000
   1 0 0   1 1
            0.78252806310872         1.00000000000000
   1 0 0   1 1
            0.41990304796853         1.00000000000000
   1 0 0   1 1
            0.07100556611092         1.00000000000000
   2 1 1   1 1
            0.49871163286081         1.00000000000000
   2 1 1   1 1
            0.33172794964419         1.00000000000000
   2 1 1   1 1
            0.08670145802054         1.00000000000000
   3 2 2   1 1
            0.56103416984516         1.00000000000000
   3 2 2   1 1
            0.10354070639983         1.00000000000000
   4 3 3   1 1
            0.57256688073755         1.00000000000000
#
La vDZP-AUX-GTH-q11 vDZP-AUX-PTB-GTH-q11 vDZP-AUX-UZH-q11 vDZP-AUX-PTB-UZH-q11 vDZP-AUX-q11 vDZP-AUX-PTB-q11
  14
   1 0 0   1 1
            5.93273649860907         1.00000000000000
   1 0 0   1 1
            3.24515714525482         1.00000000000000
   1 0 0   1 1
            1.96658037781430         1.00000000000000
   1 0 0   1 1
            0.69733465268463         1.00000000000000
   1 0 0   1 1
            0.27193375848964         1.00000000000000
   1 0 0   1 1
            0.06481057599374         1.00000000000000
   2 1 1   1 1
            1.66272488135726         1.00000000000000
   2 1 1   1 1
            0.35078311720940         1.00000000000000
   2 1 1   1 1
            0.06653468387995         1.00000000000000
   3 2 2   1 1
            0.28932276912205         1.00000000000000
   3 2 2   1 1
            0.08525161169816         1.00000000000000
   4 3 3   1 1
            0.75043103588955         1.00000000000000
   4 3 3   1 1
            0.10006728145705         1.00000000000000
   5 4 4   1 1
            0.41197236092250         1.00000000000000
#
Hf vDZP-AUX-GTH-q12 vDZP-AUX-PTB-GTH-q12 vDZP-AUX-UZH-q12 vDZP-AUX-PTB-UZH-q12 vDZP-AUX-q12 vDZP-AUX-PTB-q12
  14
   1 0 0   1 1
           10.82023834209610         1.00000000000000
   1 0 0   1 1
            6.97859677081703         1.00000000000000
   1 0 0   1 1
            4.88983391870125         1.00000000000000
   1 0 0   1 1
            1.08788603829864         1.00000000000000
   1 0 0   1 1
            0.22047788567909         1.00000000000000
   1 0 0   1 1
            0.06263225757611         1.00000000000000
   2 1 1   1 1
            0.60529820124082         1.00000000000000
   2 1 1   1 1
            0.42261255224315         1.00000000000000
   2 1 1   1 1
            0.17852014521551         1.00000000000000
   3 2 2   1 1
            0.97173216391211         1.00000000000000
   3 2 2   1 1
            0.29228543696067         1.00000000000000
   4 3 3   1 1
            1.48495468187027         1.00000000000000
   4 3 3   1 1
            0.27034928198988         1.00000000000000
   5 4 4   1 1
            0.70483334855342         1.00000000000000
#
Ta vDZP-AUX-GTH-q13 vDZP-AUX-PTB-GTH-q13 vDZP-AUX-UZH-q13 vDZP-AUX-PTB-UZH-q13 vDZP-AUX-q13 vDZP-AUX-PTB-q13
  14
   1 0 0   1 1
           10.40550929664190         1.00000000000000
   1 0 0   1 1
            6.34176263822250         1.00000000000000
   1 0 0   1 1
            4.89331742171160         1.00000000000000
   1 0 0   1 1
            1.31223024706397         1.00000000000000
   1 0 0   1 1
            0.45475329076653         1.00000000000000
   1 0 0   1 1
            0.12639019736510         1.00000000000000
   2 1 1   1 1
            1.15465852600034         1.00000000000000
   2 1 1   1 1
            0.60682426607605         1.00000000000000
   2 1 1   1 1
            0.16685797144055         1.00000000000000
   3 2 2   1 1
            0.88027863059030         1.00000000000000
   3 2 2   1 1
            0.25917130030805         1.00000000000000
   4 3 3   1 1
            1.72283407950330         1.00000000000000
   4 3 3   1 1
            0.31656211118336         1.00000000000000
   5 4 4   1 1
            0.89695373805836         1.00000000000000
#
W vDZP-AUX-GTH-q14 vDZP-AUX-PTB-GTH-q14 vDZP-AUX-UZH-q14 vDZP-AUX-PTB-UZH-q14 vDZP-AUX-q14 vDZP-AUX-PTB-q14
  14
   1 0 0   1 1
           12.94736418361010         1.00000000000000
   1 0 0   1 1
            6.10532315224612         1.00000000000000
   1 0 0   1 1
            5.07288165181954         1.00000000000000
   1 0 0   1 1
            1.37766637360837         1.00000000000000
   1 0 0   1 1
            0.45328872335892         1.00000000000000
   1 0 0   1 1
            0.12969963464113         1.00000000000000
   2 1 1   1 1
            1.30284682050919         1.00000000000000
   2 1 1   1 1
            0.70489629281091         1.00000000000000
   2 1 1   1 1
            0.19732001492529         1.00000000000000
   3 2 2   1 1
            0.83670620323876         1.00000000000000
   3 2 2   1 1
            0.25711842339275         1.00000000000000
   4 3 3   1 1
            2.03009637610224         1.00000000000000
   4 3 3   1 1
            0.30293102605705         1.00000000000000
   5 4 4   1 1
            1.09511437952689         1.00000000000000
#
Re vDZP-AUX-GTH-q15 vDZP-AUX-PTB-GTH-q15 vDZP-AUX-UZH-q15 vDZP-AUX-PTB-UZH-q15 vDZP-AUX-q15 vDZP-AUX-PTB-q15
  14
   1 0 0   1 1
           18.14313029813120         1.00000000000000
   1 0 0   1 1
            6.62445268254061         1.00000000000000
   1 0 0   1 1
            4.33599856532962         1.00000000000000
   1 0 0   1 1
            1.62010178034852         1.00000000000000
   1 0 0   1 1
            0.54868029735970         1.00000000000000
   1 0 0   1 1
            0.15176938946975         1.00000000000000
   2 1 1   1 1
            1.73231458621443         1.00000000000000
   2 1 1   1 1
            0.72644752130693         1.00000000000000
   2 1 1   1 1
            0.27119531710715         1.00000000000000
   3 2 2   1 1
            1.08810472671346         1.00000000000000
   3 2 2   1 1
            0.37270326980323         1.00000000000000
   4 3 3   1 1
            2.00993579828723         1.00000000000000
   4 3 3   1 1
            0.38090494955443         1.00000000000000
   5 4 4   1 1
            1.15554473329987         1.00000000000000
#
Os vDZP-AUX-GTH-q16 vDZP-AUX-PTB-GTH-q16 vDZP-AUX-UZH-q16 vDZP-AUX-PTB-UZH-q16 vDZP-AUX-q16 vDZP-AUX-PTB-q16
  14
   1 0 0   1 1
           12.90738846269550         1.00000000000000
   1 0 0   1 1
            6.38029106496100         1.00000000000000
   1 0 0   1 1
            5.51585928161718         1.00000000000000
   1 0 0   1 1
            1.58284438724246         1.00000000000000
   1 0 0   1 1
            0.57697721166726         1.00000000000000
   1 0 0   1 1
            0.17808146337905         1.00000000000000
   2 1 1   1 1
            0.64394179032675         1.00000000000000
   2 1 1   1 1
            0.32753258915196         1.00000000000000
   2 1 1   1 1
            0.10761396499381         1.00000000000000
   3 2 2   1 1
            1.10933521342814         1.00000000000000
   3 2 2   1 1
            0.41146145761438         1.00000000000000
   4 3 3   1 1
            2.02506555567918         1.00000000000000
   4 3 3   1 1
            0.40628003218222         1.00000000000000
   5 4 4   1 1
            1.31048188691313         1.00000000000000
#
Ir vDZP-AUX-GTH-q17 vDZP-AUX-PTB-GTH-q17 vDZP-AUX-UZH-q17 vDZP-AUX-PTB-UZH-q17 vDZP-AUX-q17 vDZP-AUX-PTB-q17
  14
   1 0 0   1 1
           16.95730086162820         1.00000000000000
   1 0 0   1 1
            6.52822358338804         1.00000000000000
   1 0 0   1 1
            5.37774397019209         1.00000000000000
   1 0 0   1 1
            1.72401460867042         1.00000000000000
   1 0 0   1 1
            0.62926281259261         1.00000000000000
   1 0 0   1 1
            0.18896305749986         1.00000000000000
   2 1 1   1 1
            0.79442490563489         1.00000000000000
   2 1 1   1 1
            0.33935374722701         1.00000000000000
   2 1 1   1 1
            0.13916637508288         1.00000000000000
   3 2 2   1 1
            1.01532142657453         1.00000000000000
   3 2 2   1 1
            0.32521227925489         1.00000000000000
   4 3 3   1 1
            2.03133932859310         1.00000000000000
   4 3 3   1 1
            0.46831843728118         1.00000000000000
   5 4 4   1 1
            1.55467429237108         1.00000000000000
#
Pt vDZP-AUX-GTH-q18 vDZP-AUX-PTB-GTH-q18 vDZP-AUX-UZH-q18 vDZP-AUX-PTB-UZH-q18 vDZP-AUX-q18 vDZP-AUX-PTB-q18
  14
   1 0 0   1 1
            9.04695913927079         1.00000000000000
   1 0 0   1 1
            8.43476549602513         1.00000000000000
   1 0 0   1 1
            6.44294261592417         1.00000000000000
   1 0 0   1 1
            1.62766411798316         1.00000000000000
   1 0 0   1 1
            0.60351263324519         1.00000000000000
   1 0 0   1 1
            0.19727624158876         1.00000000000000
   2 1 1   1 1
            0.86151585852687         1.00000000000000
   2 1 1   1 1
            0.31133316752181         1.00000000000000
   2 1 1   1 1
            0.22685516047611         1.00000000000000
   3 2 2   1 1
            1.32813803376044         1.00000000000000
   3 2 2   1 1
            0.75496967165678         1.00000000000000
   4 3 3   1 1
            2.28219425257945         1.00000000000000
   4 3 3   1 1
            0.46864857042598         1.00000000000000
   5 4 4   1 1
            1.77057347889812         1.00000000000000
#
Au vDZP-AUX-GTH-q19 vDZP-AUX-PTB-GTH-q19 vDZP-AUX-UZH-q19 vDZP-AUX-PTB-UZH-q19 vDZP-AUX-q19 vDZP-AUX-PTB-q19
  14
   1 0 0   1 1
           10.43546890702370         1.00000000000000
   1 0 0   1 1
            7.69957529510550         1.00000000000000
   1 0 0   1 1
            6.71936045971829         1.00000000000000
   1 0 0   1 1
            1.72225820378901         1.00000000000000
   1 0 0   1 1
            0.65281431031226         1.00000000000000
   1 0 0   1 1
            0.22072370928710         1.00000000000000
   2 1 1   1 1
            1.25967732734506         1.00000000000000
   2 1 1   1 1
            0.76036513485283         1.00000000000000
   2 1 1   1 1
            0.19937799398440         1.00000000000000
   3 2 2   1 1
            1.06015359979493         1.00000000000000
   3 2 2   1 1
            0.45133429473254         1.00000000000000
   4 3 3   1 1
            2.50380642975913         1.00000000000000
   4 3 3   1 1
            0.60497449822285         1.00000000000000
   5 4 4   1 1
            1.98749251643654         1.00000000000000
#
Hg vDZP-AUX-GTH-q20 vDZP-AUX-PTB-GTH-q20 vDZP-AUX-UZH-q20 vDZP-AUX-PTB-UZH-q20 vDZP-AUX-q20 vDZP-AUX-PTB-q20
  14
   1 0 0   1 1
           18.95326993342270         1.00000000000000
   1 0 0   1 1
            8.06177715265735         1.00000000000000
   1 0 0   1 1
            5.42251730065557         1.00000000000000
   1 0 0   1 1
            2.03223167570410         1.00000000000000
   1 0 0   1 1
            0.80638901429067         1.00000000000000
   1 0 0   1 1
            0.25195044211283         1.00000000000000
   2 1 1   1 1
            0.78622491632575         1.00000000000000
   2 1 1   1 1
            0.34709466092201         1.00000000000000
   2 1 1   1 1
            0.13996665328843         1.00000000000000
   3 2 2   1 1
            2.01370343731525         1.00000000000000
   3 2 2   1 1
            1.15561050318468         1.00000000000000
   4 3 3   1 1
            1.71763765048082         1.00000000000000
   4 3 3   1 1
            0.59299954932674         1.00000000000000
   5 4 4   1 1
            2.34607222691474         1.00000000000000
#
Tl vDZP-AUX-GTH-q3 vDZP-AUX-PTB-GTH-q3 vDZP-AUX-UZH-q3 vDZP-AUX-PTB-UZH-q3 vDZP-AUX-q3 vDZP-AUX-PTB-q3
  9
   1 0 0   1 1
            1.05281910448608        -0.17087020000000
   1 0 0   1 1
            0.94576252727040         0.16415530000000
   1 0 0   1 1
            0.25930382384637         0.41499410000000
   1 0 0   1 1
            0.07572038507816         0.02076750000000
   2 1 1   1 1
            0.18585307692110         0.00283600000000
   2 1 1   1 1
            0.08408676174733         0.01818750000000
   3 2 2   1 1
            0.23213522366469        -0.03653720000000
   3 2 2   1 1
            0.09997377990194        -0.03653720000000
   4 3 3   1 1
            0.27584796296115         1.00000000000000
#
Pb vDZP-AUX-GTH-q4 vDZP-AUX-PTB-GTH-q4 vDZP-AUX-UZH-q4 vDZP-AUX-PTB-UZH-q4 vDZP-AUX-q4 vDZP-AUX-PTB-q4
  9
   1 0 0   1 1
            1.02449744006091        -0.17087020000000
   1 0 0   1 1
            0.94537978941467         0.16415530000000
   1 0 0   1 1
            0.26018376323276         0.41499410000000
   1 0 0   1 1
            0.08347530885394         0.02076750000000
   2 1 1   1 1
            0.21418120408033         0.00283600000000
   2 1 1   1 1
            0.16047837398636         0.01818750000000
   3 2 2   1 1
            0.23546356911571        -0.03653720000000
   3 2 2   1 1
            0.14512093510100        -0.03653720000000
   4 3 3   1 1
            0.27997845619099         1.00000000000000
#
Bi vDZP-AUX-GTH-q5 vDZP-AUX-PTB-GTH-q5 vDZP-AUX-UZH-q5 vDZP-AUX-PTB-UZH-q5 vDZP-AUX-q5 vDZP-AUX-PTB-q5
  8
   1 0 0   1 1
            0.47665812802135         0.16415530000000
   1 0 0   1 1
            0.35127829568718         0.41499410000000
   1 0 0   1 1
            0.11219832695911         0.02076750000000
   2 1 1   1 1
            0.27020568059446         0.00283600000000
   2 1 1   1 1
            0.24249469096786         0.01818750000000
   3 2 2   1 1
            0.30125881016359        -0.03653720000000
   3 2 2   1 1
            0.17552577717366        -0.03653720000000
   4 3 3   1 1
            0.30292932429161         1.00000000000000
#
Po vDZP-AUX-GTH-q6 vDZP-AUX-PTB-GTH-q6 vDZP-AUX-UZH-q6 vDZP-AUX-PTB-UZH-q6 vDZP-AUX-q6 vDZP-AUX-PTB-q6
  8
   1 0 0   1 1
            1.56921206258724        -0.17087020000000
   1 0 0   1 1
            1.01789137254199         0.16415530000000
   1 0 0   1 1
            0.35061293025441         0.41499410000000
   1 0 0   1 1
            0.14902948461886         0.02076750000000
   2 1 1   1 1
            0.39053122972702         0.00283600000000
   2 1 1   1 1
            0.18598714954553         0.01818750000000
   3 2 2   1 1
            0.31796213563658        -0.03653720000000
   4 3 3   1 1
            0.31694008614165         1.00000000000000
#
At vDZP-AUX-GTH-q7 vDZP-AUX-PTB-GTH-q7 vDZP-AUX-UZH-q7 vDZP-AUX-PTB-UZH-q7 vDZP-AUX-q7 vDZP-AUX-PTB-q7
  9
   1 0 0   1 1
            1.58347870443569         1.00000000000000
   1 0 0   1 1
            1.19971047699315         0.16415530000000
   1 0 0   1 1
            0.36935439272083         0.41499410000000
   1 0 0   1 1
            0.15090492917883         0.02076750000000
   2 1 1   1 1
            0.26681239792955         0.00283600000000
   2 1 1   1 1
            0.45906292296897         0.01818750000000
   3 2 2   1 1
            0.38419242326123        -0.03653720000000
   3 2 2   1 1
            0.17760092545749        -0.03653720000000
   4 3 3   1 1
            0.39231032990171         1.00000000000000
#
Rn vDZP-AUX-GTH-q8 vDZP-AUX-PTB-GTH-q8 vDZP-AUX-UZH-q8 vDZP-AUX-PTB-UZH-q8 vDZP-AUX-q8 vDZP-AUX-PTB-q8
  9
   1 0 0   1 1
            1.58034835466668         1.00000000000000
   1 0 0   1 1
            1.20149521855603         0.16415530000000
   1 0 0   1 1
            0.47728851977504         0.41499410000000
   1 0 0   1 1
            0.20717332119844         0.02076750000000
   2 1 1   1 1
            0.16359512321531         0.00283600000000
   2 1 1   1 1
            0.34721303477534         0.01818750000000
   3 2 2   1 1
            0.38924412512516        -0.03653720000000
   3 2 2   1 1
            0.18043586983571        -0.03653720000000
   4 3 3   1 1
            0.27748975590875         1.00000000000000
#

# ---- tblite GFN1-xTB static STO-6G Gaussian basis for UZH GTH potentials ----
H GFN1-GTH-q1 GFN1-xTB-GTH-q1 GFN1-xTB-STO6G-GTH-q1 GFN1-UZH-q1 GFN1-xTB-UZH-q1 GFN1-xTB-STO6G-UZH-q1 GFN1-q1 GFN1-xTB-q1 GFN1-xTB-STO6G-q1
  2
   1 0 0   6 1
           33.71007321194949         0.00916359628000
            6.18070502274046         0.04936149294000
            1.72913853461523         0.16853830490000
            0.59400575499220         0.37056279970000
            0.23066981704495         0.41649152980000
            0.09500256906284         0.13033408410000
   1 0 0   6 1
          109.98887135980546        -0.00415127781900
           20.17084072677074        -0.02067024148000
            5.66844140827623        -0.05150303337000
            0.81059970645557         0.33462711740000
            0.36790000082974         0.56210613010000
            0.17544943145093         0.17129946970000
#
He GFN1-GTH-q2 GFN1-xTB-GTH-q2 GFN1-xTB-STO6G-GTH-q2 GFN1-UZH-q2 GFN1-xTB-UZH-q2 GFN1-xTB-STO6G-UZH-q2 GFN1-q2 GFN1-xTB-q2 GFN1-xTB-STO6G-q2
  1
   1 0 0   6 1
          105.18041265016672         0.00916359628000
           19.28471352386021         0.04936149294000
            5.39516789111168         0.16853830490000
            1.85338578275488         0.37056279970000
            0.71972393504403         0.41649152980000
            0.29642206215421         0.13033408410000
#
Li GFN1-GTH-q1 GFN1-xTB-GTH-q1 GFN1-xTB-STO6G-GTH-q1 GFN1-UZH-q1 GFN1-xTB-UZH-q1 GFN1-xTB-STO6G-UZH-q1 GFN1-q1 GFN1-xTB-q1 GFN1-xTB-STO6G-q1
  2
   1 0 0   6 1
           15.31972151296465        -0.00415127781900
            2.80948116655936        -0.02067024148000
            0.78952481931807        -0.05150303337000
            0.11290380206527         0.33462711740000
            0.05124268926166         0.56210613010000
            0.02443734894454         0.17129946970000
   2 1 1   6 1
            1.72336320195299         0.00792423364600
            0.44941807744596         0.05144104825000
            0.16080607020892         0.18984000600000
            0.06722001112896         0.40498631910000
            0.03073756815569         0.40123628610000
            0.01453163770215         0.10518551890000
#
Li GFN1-GTH-q3 GFN1-xTB-GTH-q3 GFN1-xTB-STO6G-GTH-q3 GFN1-UZH-q3 GFN1-xTB-UZH-q3 GFN1-xTB-STO6G-UZH-q3 GFN1-q3 GFN1-xTB-q3 GFN1-xTB-STO6G-q3
  2
   1 0 0   6 1
           15.31972151296465        -0.00415127781900
            2.80948116655936        -0.02067024148000
            0.78952481931807        -0.05150303337000
            0.11290380206527         0.33462711740000
            0.05124268926166         0.56210613010000
            0.02443734894454         0.17129946970000
   2 1 1   6 1
            1.72336320195299         0.00792423364600
            0.44941807744596         0.05144104825000
            0.16080607020892         0.18984000600000
            0.06722001112896         0.40498631910000
            0.03073756815569         0.40123628610000
            0.01453163770215         0.10518551890000
#
Be GFN1-GTH-q2 GFN1-xTB-GTH-q2 GFN1-xTB-STO6G-GTH-q2 GFN1-UZH-q2 GFN1-xTB-UZH-q2 GFN1-xTB-STO6G-UZH-q2 GFN1-q2 GFN1-xTB-q2 GFN1-xTB-STO6G-q2
  2
   1 0 0   6 1
           21.28786914522554        -0.00415127781900
            3.90397876286964        -0.02067024148000
            1.09710225648210        -0.05150303337000
            0.15688805846307         0.33462711740000
            0.07120544996386         0.56210613010000
            0.03395747671702         0.17129946970000
   2 1 1   6 1
            7.16011125268847         0.00792423364600
            1.86721140954839         0.05144104825000
            0.66810603330667         0.18984000600000
            0.27928109265934         0.40498631910000
            0.12770634035960         0.40123628610000
            0.06037505182497         0.10518551890000
#
Be GFN1-GTH-q4 GFN1-xTB-GTH-q4 GFN1-xTB-STO6G-GTH-q4 GFN1-UZH-q4 GFN1-xTB-UZH-q4 GFN1-xTB-STO6G-UZH-q4 GFN1-q4 GFN1-xTB-q4 GFN1-xTB-STO6G-q4
  2
   1 0 0   6 1
           21.28786914522554        -0.00415127781900
            3.90397876286964        -0.02067024148000
            1.09710225648210        -0.05150303337000
            0.15688805846307         0.33462711740000
            0.07120544996386         0.56210613010000
            0.03395747671702         0.17129946970000
   2 1 1   6 1
            7.16011125268847         0.00792423364600
            1.86721140954839         0.05144104825000
            0.66810603330667         0.18984000600000
            0.27928109265934         0.40498631910000
            0.12770634035960         0.40123628610000
            0.06037505182497         0.10518551890000
#
B GFN1-GTH-q3 GFN1-xTB-GTH-q3 GFN1-xTB-STO6G-GTH-q3 GFN1-UZH-q3 GFN1-xTB-UZH-q3 GFN1-xTB-STO6G-UZH-q3 GFN1-q3 GFN1-xTB-q3 GFN1-xTB-STO6G-q3
  2
   1 0 0   6 1
           76.99039817302759        -0.00415127781900
           14.11925624692170        -0.02067024148000
            3.96781561305437        -0.05150303337000
            0.56740644200992         0.33462711740000
            0.25752394039102         0.56210613010000
            0.12281171194538         0.17129946970000
   2 1 1   6 1
           13.11713436004611         0.00792423364600
            3.42068189631284         0.05144104825000
            1.22395257508749         0.18984000600000
            0.51163557203912         0.40498631910000
            0.23395463645872         0.40123628610000
            0.11060549743351         0.10518551890000
#
C GFN1-GTH-q4 GFN1-xTB-GTH-q4 GFN1-xTB-STO6G-GTH-q4 GFN1-UZH-q4 GFN1-xTB-UZH-q4 GFN1-xTB-STO6G-UZH-q4 GFN1-q4 GFN1-xTB-q4 GFN1-xTB-STO6G-q4
  2
   1 0 0   6 1
          106.38971661757030        -0.00415127781900
           19.51079234042865        -0.02067024148000
            5.48295357188468        -0.05150303337000
            0.78407453403154         0.33462711740000
            0.35586124621498         0.56210613010000
            0.16970821740425         0.17129946970000
   2 1 1   6 1
           19.69734620851482         0.00792423364600
            5.13666733384259         0.05144104825000
            1.83794851471025         0.18984000600000
            0.76829761123302         0.40498631910000
            0.35131800475042         0.40123628610000
            0.16609075699864         0.10518551890000
#
N GFN1-GTH-q5 GFN1-xTB-GTH-q5 GFN1-xTB-STO6G-GTH-q5 GFN1-UZH-q5 GFN1-xTB-UZH-q5 GFN1-xTB-STO6G-UZH-q5 GFN1-q5 GFN1-xTB-q5 GFN1-xTB-STO6G-q5
  2
   1 0 0   6 1
          116.35365971147681        -0.00415127781900
           21.33807819828902        -0.02067024148000
            5.99646031965778        -0.05150303337000
            0.85750713905063         0.33462711740000
            0.38918947867337         0.56210613010000
            0.18560226313108         0.17129946970000
   2 1 1   6 1
           26.21745693159472         0.00792423364600
            6.83697962006333         0.05144104825000
            2.44633645145935         0.18984000600000
            1.02261539802969         0.40498631910000
            0.46760942115422         0.40123628610000
            0.22106923553313         0.10518551890000
#
O GFN1-GTH-q6 GFN1-xTB-GTH-q6 GFN1-xTB-STO6G-GTH-q6 GFN1-UZH-q6 GFN1-xTB-UZH-q6 GFN1-xTB-STO6G-UZH-q6 GFN1-q6 GFN1-xTB-q6 GFN1-xTB-STO6G-q6
  2
   1 0 0   6 1
          152.28769660788095        -0.00415127781900
           27.92801521597307        -0.02067024148000
            7.84837479238452        -0.05150303337000
            1.12233502027056         0.33462711740000
            0.50938465879079         0.56210613010000
            0.24292266532510         0.17129946970000
   2 1 1   6 1
           27.20342148716773         0.00792423364600
            7.09409912597673         0.05144104825000
            2.53833626053460         0.18984000600000
            1.06107307678439         0.40498631910000
            0.48519489164104         0.40123628610000
            0.22938302550643         0.10518551890000
#
F GFN1-GTH-q7 GFN1-xTB-GTH-q7 GFN1-xTB-STO6G-GTH-q7 GFN1-UZH-q7 GFN1-xTB-UZH-q7 GFN1-xTB-STO6G-UZH-q7 GFN1-q7 GFN1-xTB-q7 GFN1-xTB-STO6G-q7
  2
   1 0 0   6 1
          243.87996338406990        -0.00415127781900
           44.72510570436183        -0.02067024148000
           12.56871959866612        -0.05150303337000
            1.79735480767709         0.33462711740000
            0.81575015383006         0.56210613010000
            0.38902663868633         0.17129946970000
   2 1 1   6 1
           29.89224992954927         0.00792423364600
            7.79529090481228         0.05144104825000
            2.78922936002480         0.18984000600000
            1.16595118815170         0.40498631910000
            0.53315230851811         0.40123628610000
            0.25205560011150         0.10518551890000
#
Ne GFN1-GTH-q8 GFN1-xTB-GTH-q8 GFN1-xTB-STO6G-GTH-q8 GFN1-UZH-q8 GFN1-xTB-UZH-q8 GFN1-xTB-STO6G-UZH-q8 GFN1-q8 GFN1-xTB-q8 GFN1-xTB-STO6G-q8
  3
   1 0 0   6 1
          283.49401507840008        -0.00415127781900
           51.98992002048001        -0.02067024148000
           14.61028915200000        -0.05150303337000
            2.08930378649600         0.33462711740000
            0.94825455605760         0.56210613010000
            0.45221723934720         0.17129946970000
   2 1 1   6 1
           30.89130697762209         0.00792423364600
            8.05582466652595         0.05144104825000
            2.88245082235674         0.18984000600000
            1.20491954131940         0.40498631910000
            0.55097129413400         0.40123628610000
            0.26047978779865         0.10518551890000
   3 2 2   6 1
           17.93115692110722         0.00728382811200
            5.75161709332927         0.05386799363000
            2.38620770260729         0.20721391490000
            1.12352854016775         0.42662690920000
            0.56768505541550         0.38431002040000
            0.29246236372416         0.08902827546000
#
Na GFN1-GTH-q1 GFN1-xTB-GTH-q1 GFN1-xTB-STO6G-GTH-q1 GFN1-UZH-q1 GFN1-xTB-UZH-q1 GFN1-xTB-STO6G-UZH-q1 GFN1-q1 GFN1-xTB-q1 GFN1-xTB-STO6G-q1
  2
   1 0 0   6 1
            2.19618889805801        -0.00677559694700
            0.61735665277108        -0.05639325779000
            0.24111206398904        -0.15878560860000
            0.05795175985122         0.55345276510000
            0.03219015061670         0.50153510200000
            0.01828288377226         0.07223633674000
   2 1 1   6 1
            2.00880542802958        -0.00332992984000
            0.53040450607903        -0.01419488340000
            0.08894627028025         0.16393957700000
            0.04477079526874         0.44853582560000
            0.02403778379305         0.39088130500000
            0.01311555115326         0.07411456232000
#
Na GFN1-GTH-q9 GFN1-xTB-GTH-q9 GFN1-xTB-STO6G-GTH-q9 GFN1-UZH-q9 GFN1-xTB-UZH-q9 GFN1-xTB-STO6G-UZH-q9 GFN1-q9 GFN1-xTB-q9 GFN1-xTB-STO6G-q9
  2
   1 0 0   6 1
            2.19618889805801        -0.00677559694700
            0.61735665277108        -0.05639325779000
            0.24111206398904        -0.15878560860000
            0.05795175985122         0.55345276510000
            0.03219015061670         0.50153510200000
            0.01828288377226         0.07223633674000
   2 1 1   6 1
            2.00880542802958        -0.00332992984000
            0.53040450607903        -0.01419488340000
            0.08894627028025         0.16393957700000
            0.04477079526874         0.44853582560000
            0.02403778379305         0.39088130500000
            0.01311555115326         0.07411456232000
#
Mg GFN1-GTH-q2 GFN1-xTB-GTH-q2 GFN1-xTB-STO6G-GTH-q2 GFN1-UZH-q2 GFN1-xTB-UZH-q2 GFN1-xTB-STO6G-UZH-q2 GFN1-q2 GFN1-xTB-q2 GFN1-xTB-STO6G-q2
  2
   1 0 0   6 1
            5.28977811009352        -0.00677559694700
            1.48697578374827        -0.05639325779000
            0.58074663763964        -0.15878560860000
            0.13958359910364         0.55345276510000
            0.07753374686640         0.50153510200000
            0.04403646628639         0.07223633674000
   2 1 1   6 1
            3.22673212422827        -0.00332992984000
            0.85198558044489        -0.01419488340000
            0.14287386107130         0.16393957700000
            0.07191506021695         0.44853582560000
            0.03861174809566         0.39088130500000
            0.02106743124181         0.07411456232000
#
Mg GFN1-GTH-q10 GFN1-xTB-GTH-q10 GFN1-xTB-STO6G-GTH-q10 GFN1-UZH-q10 GFN1-xTB-UZH-q10 GFN1-xTB-STO6G-UZH-q10 GFN1-q10 GFN1-xTB-q10 GFN1-xTB-STO6G-q10
  2
   1 0 0   6 1
            5.28977811009352        -0.00677559694700
            1.48697578374827        -0.05639325779000
            0.58074663763964        -0.15878560860000
            0.13958359910364         0.55345276510000
            0.07753374686640         0.50153510200000
            0.04403646628639         0.07223633674000
   2 1 1   6 1
            3.22673212422827        -0.00332992984000
            0.85198558044489        -0.01419488340000
            0.14287386107130         0.16393957700000
            0.07191506021695         0.44853582560000
            0.03861174809566         0.39088130500000
            0.02106743124181         0.07411456232000
#
Al GFN1-GTH-q3 GFN1-xTB-GTH-q3 GFN1-xTB-STO6G-GTH-q3 GFN1-UZH-q3 GFN1-xTB-UZH-q3 GFN1-xTB-STO6G-UZH-q3 GFN1-q3 GFN1-xTB-q3 GFN1-xTB-STO6G-q3
  3
   1 0 0   6 1
            7.34227487777365        -0.00677559694700
            2.06394005828719        -0.05639325779000
            0.80608323433394        -0.15878560860000
            0.19374369429454         0.55345276510000
            0.10761776202117         0.50153510200000
            0.06112313851191         0.07223633674000
   2 1 1   6 1
            7.71956166526345        -0.00332992984000
            2.03827122083541        -0.01419488340000
            0.34180822529791         0.16393957700000
            0.17204797938989         0.44853582560000
            0.09237388136127         0.39088130500000
            0.05040125065813         0.07411456232000
   3 2 2   6 1
            0.91662021293321         0.00728382811200
            0.29401608094745         0.05386799363000
            0.12198020585566         0.20721391490000
            0.05743349267737         0.42662690920000
            0.02901941010630         0.38431002040000
            0.01495034120170         0.08902827546000
#
Si GFN1-GTH-q4 GFN1-xTB-GTH-q4 GFN1-xTB-STO6G-GTH-q4 GFN1-UZH-q4 GFN1-xTB-UZH-q4 GFN1-xTB-STO6G-UZH-q4 GFN1-q4 GFN1-xTB-q4 GFN1-xTB-STO6G-q4
  3
   1 0 0   6 1
            7.58152759673407        -0.00677559694700
            2.13119486404383        -0.05639325779000
            0.83234997165082        -0.15878560860000
            0.20005695638470         0.55345276510000
            0.11112455556957         0.50153510200000
            0.06311487504096         0.07223633674000
   2 1 1   6 1
           13.14852453319999        -0.00332992984000
            3.47173328157555        -0.01419488340000
            0.58219287970746         0.16393957700000
            0.29304475771918         0.44853582560000
            0.15733798083005         0.39088130500000
            0.08584711276606         0.07411456232000
   3 2 2   6 1
            3.40024082197649         0.00728382811200
            1.09066488677566         0.05386799363000
            0.45249064942202         0.20721391490000
            0.21305193099041         0.42662690920000
            0.10764870933552         0.38431002040000
            0.05545891279642         0.08902827546000
#
P GFN1-GTH-q5 GFN1-xTB-GTH-q5 GFN1-xTB-STO6G-GTH-q5 GFN1-UZH-q5 GFN1-xTB-UZH-q5 GFN1-xTB-STO6G-UZH-q5 GFN1-q5 GFN1-xTB-q5 GFN1-xTB-STO6G-q5
  3
   1 0 0   6 1
           13.00279596578456        -0.00677559694700
            3.65513303577860        -0.05639325779000
            1.42753247487544        -0.15878560860000
            0.34311024423715         0.55345276510000
            0.19058559167972         0.50153510200000
            0.10824597445468         0.07223633674000
   2 1 1   6 1
           16.94941438502162        -0.00332992984000
            4.47531933146677        -0.01419488340000
            0.75048940626415         0.16393957700000
            0.37775622803906         0.44853582560000
            0.20282021977884         0.39088130500000
            0.11066323710737         0.07411456232000
   3 2 2   6 1
            4.16227700245596         0.00728382811200
            1.33509642795646         0.05386799363000
            0.55389942140065         0.20721391490000
            0.26079951365761         0.42662690920000
            0.13177412150203         0.38431002040000
            0.06788794364852         0.08902827546000
#
S GFN1-GTH-q6 GFN1-xTB-GTH-q6 GFN1-xTB-STO6G-GTH-q6 GFN1-UZH-q6 GFN1-xTB-UZH-q6 GFN1-xTB-STO6G-UZH-q6 GFN1-q6 GFN1-xTB-q6 GFN1-xTB-STO6G-q6
  3
   1 0 0   6 1
           20.57008299833124        -0.00677559694700
            5.78232482565696        -0.05639325779000
            2.25831902371385        -0.15878560860000
            0.54279142886713         0.55345276510000
            0.30150141934503         0.50153510200000
            0.17124229931987         0.07223633674000
   2 1 1   6 1
           20.16540606415372        -0.00332992984000
            5.32446900735026        -0.01419488340000
            0.89288769985683         0.16393957700000
            0.44943191302246         0.44853582560000
            0.24130344547334         0.39088130500000
            0.13166054365960         0.07411456232000
   3 2 2   6 1
            9.60657372260748         0.00728382811200
            3.08141487324986         0.05386799363000
            1.27840497483836         0.20721391490000
            0.60192768364377         0.42662690920000
            0.30413588816749         0.38431002040000
            0.15668600027124         0.08902827546000
#
Cl GFN1-GTH-q7 GFN1-xTB-GTH-q7 GFN1-xTB-STO6G-GTH-q7 GFN1-UZH-q7 GFN1-xTB-UZH-q7 GFN1-xTB-STO6G-UZH-q7 GFN1-q7 GFN1-xTB-q7 GFN1-xTB-STO6G-q7
  3
   1 0 0   6 1
           26.54689572172809        -0.00677559694700
            7.46242852730968        -0.05639325779000
            2.91449284058747        -0.15878560860000
            0.70050409917901         0.55345276510000
            0.38910522334571         0.50153510200000
            0.22099820713228         0.07223633674000
   2 1 1   6 1
           21.91728319634864        -0.00332992984000
            5.78703422747934        -0.01419488340000
            0.97045764999921         0.16393957700000
            0.48847647718337         0.44853582560000
            0.26226677181052         0.39088130500000
            0.14309860222960         0.07411456232000
   3 2 2   6 1
            9.29232899015043         0.00728382811200
            2.98061739639765         0.05386799363000
            1.23658652417218         0.20721391490000
            0.58223777032327         0.42662690920000
            0.29418716934562         0.38431002040000
            0.15156057765369         0.08902827546000
#
Ar GFN1-GTH-q8 GFN1-xTB-GTH-q8 GFN1-xTB-STO6G-GTH-q8 GFN1-UZH-q8 GFN1-xTB-UZH-q8 GFN1-xTB-STO6G-UZH-q8 GFN1-q8 GFN1-xTB-q8 GFN1-xTB-STO6G-q8
  3
   1 0 0   6 1
           40.14788167520098        -0.00677559694700
           11.28571493498038        -0.05639325779000
            4.40769854726762        -0.15878560860000
            1.05939903413315         0.55345276510000
            0.58845865180764         0.50153510200000
            0.33422400733342         0.07223633674000
   2 1 1   6 1
           26.58251244186771        -0.00332992984000
            7.01884024472121        -0.01419488340000
            1.17702556125695         0.16393957700000
            0.59245171566017         0.44853582560000
            0.31809187581712         0.39088130500000
            0.17355802450990         0.07411456232000
   3 2 2   6 1
            7.71809616816885         0.00728382811200
            2.47566479085042         0.05386799363000
            1.02709382372697         0.20721391490000
            0.48359965610973         0.42662690920000
            0.24434830782009         0.38431002040000
            0.12588438429960         0.08902827546000
#
K GFN1-GTH-q1 GFN1-xTB-GTH-q1 GFN1-xTB-STO6G-GTH-q1 GFN1-UZH-q1 GFN1-xTB-UZH-q1 GFN1-xTB-STO6G-UZH-q1 GFN1-q1 GFN1-xTB-q1 GFN1-xTB-STO6G-q1
  2
   1 0 0   6 1
            2.29082854207788         0.00137481748800
            0.25551055307220        -0.08666390043000
            0.12173285935817        -0.31306273090000
            0.03739818267437         0.78127873970000
            0.02241623679416         0.43892479880000
            0.01328005017722         0.02487178756000
   2 1 1   6 1
            1.42282731596612        -0.00166591357500
            0.47399032601088        -0.01657464971000
            0.20335939985971        -0.05958513378000
            0.05267712421338         0.40531155540000
            0.02952112984085         0.54339581890000
            0.01677184043723         0.12049704910000
#
K GFN1-GTH-q9 GFN1-xTB-GTH-q9 GFN1-xTB-STO6G-GTH-q9 GFN1-UZH-q9 GFN1-xTB-UZH-q9 GFN1-xTB-STO6G-UZH-q9 GFN1-q9 GFN1-xTB-q9 GFN1-xTB-STO6G-q9
  2
   1 0 0   6 1
            2.29082854207788         0.00137481748800
            0.25551055307220        -0.08666390043000
            0.12173285935817        -0.31306273090000
            0.03739818267437         0.78127873970000
            0.02241623679416         0.43892479880000
            0.01328005017722         0.02487178756000
   2 1 1   6 1
            1.42282731596612        -0.00166591357500
            0.47399032601088        -0.01657464971000
            0.20335939985971        -0.05958513378000
            0.05267712421338         0.40531155540000
            0.02952112984085         0.54339581890000
            0.01677184043723         0.12049704910000
#
Ca GFN1-GTH-q2 GFN1-xTB-GTH-q2 GFN1-xTB-STO6G-GTH-q2 GFN1-UZH-q2 GFN1-xTB-UZH-q2 GFN1-xTB-STO6G-UZH-q2 GFN1-q2 GFN1-xTB-q2 GFN1-xTB-STO6G-q2
  3
   1 0 0   6 1
            5.64865557193091         0.00137481748800
            0.63003017588968        -0.08666390043000
            0.30016519423881        -0.31306273090000
            0.09221530510182         0.78127873970000
            0.05527327713239         0.43892479880000
            0.03274554513846         0.02487178756000
   2 1 1   6 1
            1.29082631332227        -0.00166591357500
            0.43001647368542        -0.01657464971000
            0.18449298903297        -0.05958513378000
            0.04779007071467         0.40531155540000
            0.02678234439974         0.54339581890000
            0.01521585417730         0.12049704910000
   3 2 2   6 1
            2.23167788846663         0.00728382811200
            0.71583538901499         0.05386799363000
            0.29698289913067         0.20721391490000
            0.13983223788545         0.42662690920000
            0.07065300869084         0.38431002040000
            0.03639931283874         0.08902827546000
#
Ca GFN1-GTH-q10 GFN1-xTB-GTH-q10 GFN1-xTB-STO6G-GTH-q10 GFN1-UZH-q10 GFN1-xTB-UZH-q10 GFN1-xTB-STO6G-UZH-q10 GFN1-q10 GFN1-xTB-q10 GFN1-xTB-STO6G-q10
  3
   1 0 0   6 1
            5.64865557193091         0.00137481748800
            0.63003017588968        -0.08666390043000
            0.30016519423881        -0.31306273090000
            0.09221530510182         0.78127873970000
            0.05527327713239         0.43892479880000
            0.03274554513846         0.02487178756000
   2 1 1   6 1
            1.29082631332227        -0.00166591357500
            0.43001647368542        -0.01657464971000
            0.18449298903297        -0.05958513378000
            0.04779007071467         0.40531155540000
            0.02678234439974         0.54339581890000
            0.01521585417730         0.12049704910000
   3 2 2   6 1
            2.23167788846663         0.00728382811200
            0.71583538901499         0.05386799363000
            0.29698289913067         0.20721391490000
            0.13983223788545         0.42662690920000
            0.07065300869084         0.38431002040000
            0.03639931283874         0.08902827546000
#
Sc GFN1-GTH-q3 GFN1-xTB-GTH-q3 GFN1-xTB-STO6G-GTH-q3 GFN1-UZH-q3 GFN1-xTB-UZH-q3 GFN1-xTB-STO6G-UZH-q3 GFN1-q3 GFN1-xTB-q3 GFN1-xTB-STO6G-q3
  3
   3 2 2   6 1
           12.04335710732000         0.00728382811200
            3.86304012085200         0.05386799363000
            1.60268250516000         0.20721391490000
            0.75461140009200         0.42662690920000
            0.38128236102880         0.38431002040000
            0.19643064316920         0.08902827546000
   1 0 0   6 1
            7.58944194299046         0.00137481748800
            0.84649831829139        -0.08666390043000
            0.40329708299123        -0.31306273090000
            0.12389898718611         0.78127873970000
            0.07426427801327         0.43892479880000
            0.04399638295435         0.02487178756000
   2 1 1   6 1
            2.47344315163092        -0.00166591357500
            0.82398483122658        -0.01657464971000
            0.35352000151982        -0.05958513378000
            0.09157391812142         0.40531155540000
            0.05131953513534         0.54339581890000
            0.02915616913184         0.12049704910000
#
Sc GFN1-GTH-q11 GFN1-xTB-GTH-q11 GFN1-xTB-STO6G-GTH-q11 GFN1-UZH-q11 GFN1-xTB-UZH-q11 GFN1-xTB-STO6G-UZH-q11 GFN1-q11 GFN1-xTB-q11 GFN1-xTB-STO6G-q11
  3
   3 2 2   6 1
           12.04335710732000         0.00728382811200
            3.86304012085200         0.05386799363000
            1.60268250516000         0.20721391490000
            0.75461140009200         0.42662690920000
            0.38128236102880         0.38431002040000
            0.19643064316920         0.08902827546000
   1 0 0   6 1
            7.58944194299046         0.00137481748800
            0.84649831829139        -0.08666390043000
            0.40329708299123        -0.31306273090000
            0.12389898718611         0.78127873970000
            0.07426427801327         0.43892479880000
            0.04399638295435         0.02487178756000
   2 1 1   6 1
            2.47344315163092        -0.00166591357500
            0.82398483122658        -0.01657464971000
            0.35352000151982        -0.05958513378000
            0.09157391812142         0.40531155540000
            0.05131953513534         0.54339581890000
            0.02915616913184         0.12049704910000
#
Ti GFN1-GTH-q4 GFN1-xTB-GTH-q4 GFN1-xTB-STO6G-GTH-q4 GFN1-UZH-q4 GFN1-xTB-UZH-q4 GFN1-xTB-STO6G-UZH-q4 GFN1-q4 GFN1-xTB-q4 GFN1-xTB-STO6G-q4
  3
   3 2 2   6 1
            9.37923888406408         0.00728382811200
            3.00849470702588         0.05386799363000
            1.24815215037254         0.20721391490000
            0.58768336129459         0.42662690920000
            0.29693866207749         0.38431002040000
            0.15297810319969         0.08902827546000
   1 0 0   6 1
            7.05755535063811         0.00137481748800
            0.78717365261372        -0.08666390043000
            0.37503304028702        -0.31306273090000
            0.11521584413220         0.78127873970000
            0.06905965637406         0.43892479880000
            0.04091300918574         0.02487178756000
   2 1 1   6 1
            2.70499369081283        -0.00166591357500
            0.90112189088466        -0.01657464971000
            0.38661465619564        -0.05958513378000
            0.10014657931318         0.40531155540000
            0.05612379595829         0.54339581890000
            0.03188561398628         0.12049704910000
#
Ti GFN1-GTH-q12 GFN1-xTB-GTH-q12 GFN1-xTB-STO6G-GTH-q12 GFN1-UZH-q12 GFN1-xTB-UZH-q12 GFN1-xTB-STO6G-UZH-q12 GFN1-q12 GFN1-xTB-q12 GFN1-xTB-STO6G-q12
  3
   3 2 2   6 1
            9.37923888406408         0.00728382811200
            3.00849470702588         0.05386799363000
            1.24815215037254         0.20721391490000
            0.58768336129459         0.42662690920000
            0.29693866207749         0.38431002040000
            0.15297810319969         0.08902827546000
   1 0 0   6 1
            7.05755535063811         0.00137481748800
            0.78717365261372        -0.08666390043000
            0.37503304028702        -0.31306273090000
            0.11521584413220         0.78127873970000
            0.06905965637406         0.43892479880000
            0.04091300918574         0.02487178756000
   2 1 1   6 1
            2.70499369081283        -0.00166591357500
            0.90112189088466        -0.01657464971000
            0.38661465619564        -0.05958513378000
            0.10014657931318         0.40531155540000
            0.05612379595829         0.54339581890000
            0.03188561398628         0.12049704910000
#
V GFN1-GTH-q5 GFN1-xTB-GTH-q5 GFN1-xTB-STO6G-GTH-q5 GFN1-UZH-q5 GFN1-xTB-UZH-q5 GFN1-xTB-STO6G-UZH-q5 GFN1-q5 GFN1-xTB-q5 GFN1-xTB-STO6G-q5
  3
   3 2 2   6 1
            8.17390299282633         0.00728382811200
            2.62186987597074         0.05386799363000
            1.08775079977620         0.20721391490000
            0.51215955208070         0.42662690920000
            0.25877876111728         0.38431002040000
            0.13331872564898         0.08902827546000
   1 0 0   6 1
            5.85252181392068         0.00137481748800
            0.65276866342237        -0.08666390043000
            0.31099848887792        -0.31306273090000
            0.09554345769772         0.78127873970000
            0.05726815098298         0.43892479880000
            0.03392736816595         0.02487178756000
   2 1 1   6 1
            2.89156436778000        -0.00166591357500
            0.96327468694600        -0.01657464971000
            0.41328050698000        -0.05958513378000
            0.10705395775250         0.40531155540000
            0.05999480484140         0.54339581890000
            0.03408485038640         0.12049704910000
#
V GFN1-GTH-q13 GFN1-xTB-GTH-q13 GFN1-xTB-STO6G-GTH-q13 GFN1-UZH-q13 GFN1-xTB-UZH-q13 GFN1-xTB-STO6G-UZH-q13 GFN1-q13 GFN1-xTB-q13 GFN1-xTB-STO6G-q13
  3
   3 2 2   6 1
            8.17390299282633         0.00728382811200
            2.62186987597074         0.05386799363000
            1.08775079977620         0.20721391490000
            0.51215955208070         0.42662690920000
            0.25877876111728         0.38431002040000
            0.13331872564898         0.08902827546000
   1 0 0   6 1
            5.85252181392068         0.00137481748800
            0.65276866342237        -0.08666390043000
            0.31099848887792        -0.31306273090000
            0.09554345769772         0.78127873970000
            0.05726815098298         0.43892479880000
            0.03392736816595         0.02487178756000
   2 1 1   6 1
            2.89156436778000        -0.00166591357500
            0.96327468694600        -0.01657464971000
            0.41328050698000        -0.05958513378000
            0.10705395775250         0.40531155540000
            0.05999480484140         0.54339581890000
            0.03408485038640         0.12049704910000
#
Cr GFN1-GTH-q6 GFN1-xTB-GTH-q6 GFN1-xTB-STO6G-GTH-q6 GFN1-UZH-q6 GFN1-xTB-UZH-q6 GFN1-xTB-STO6G-UZH-q6 GFN1-q6 GFN1-xTB-q6 GFN1-xTB-STO6G-q6
  3
   3 2 2   6 1
            9.12973880695744         0.00728382811200
            2.92846479514750         0.05386799363000
            1.21494966330423         0.20721391490000
            0.57205021176404         0.42662690920000
            0.28903970353725         0.38431002040000
            0.14890868466629         0.08902827546000
   1 0 0   6 1
            4.98613780590664         0.00137481748800
            0.55613539166306        -0.08666390043000
            0.26495951186130        -0.31306273090000
            0.08139958494482         0.78127873970000
            0.04879040211544         0.43892479880000
            0.02890489577754         0.02487178756000
   2 1 1   6 1
            3.05143681092420        -0.00166591357500
            1.01653342790194        -0.01657464971000
            0.43613047881220        -0.05958513378000
            0.11297289144972         0.40531155540000
            0.06331187297685         0.54339581890000
            0.03596937641190         0.12049704910000
#
Cr GFN1-GTH-q14 GFN1-xTB-GTH-q14 GFN1-xTB-STO6G-GTH-q14 GFN1-UZH-q14 GFN1-xTB-UZH-q14 GFN1-xTB-STO6G-UZH-q14 GFN1-q14 GFN1-xTB-q14 GFN1-xTB-STO6G-q14
  3
   3 2 2   6 1
            9.12973880695744         0.00728382811200
            2.92846479514750         0.05386799363000
            1.21494966330423         0.20721391490000
            0.57205021176404         0.42662690920000
            0.28903970353725         0.38431002040000
            0.14890868466629         0.08902827546000
   1 0 0   6 1
            4.98613780590664         0.00137481748800
            0.55613539166306        -0.08666390043000
            0.26495951186130        -0.31306273090000
            0.08139958494482         0.78127873970000
            0.04879040211544         0.43892479880000
            0.02890489577754         0.02487178756000
   2 1 1   6 1
            3.05143681092420        -0.00166591357500
            1.01653342790194        -0.01657464971000
            0.43613047881220        -0.05958513378000
            0.11297289144972         0.40531155540000
            0.06331187297685         0.54339581890000
            0.03596937641190         0.12049704910000
#
Mn GFN1-GTH-q7 GFN1-xTB-GTH-q7 GFN1-xTB-STO6G-GTH-q7 GFN1-UZH-q7 GFN1-xTB-UZH-q7 GFN1-xTB-STO6G-UZH-q7 GFN1-q7 GFN1-xTB-q7 GFN1-xTB-STO6G-q7
  3
   3 2 2   6 1
           10.11610583561137         0.00728382811200
            3.24485293938510         0.05386799363000
            1.34621150054805         0.20721391490000
            0.63385389306855         0.42662690920000
            0.32026723803405         0.38431002040000
            0.16499661663682         0.08902827546000
   1 0 0   6 1
           11.46018123400099         0.00137481748800
            1.27822627997783        -0.08666390043000
            0.60898517927160        -0.31306273090000
            0.18708949334192         0.78127873970000
            0.11214027218830         0.43892479880000
            0.06643525651620         0.02487178756000
   2 1 1   6 1
            3.85438361057220        -0.00166591357500
            1.28402127485554        -0.01657464971000
            0.55089266918020        -0.05958513378000
            0.14270027145372         0.40531155540000
            0.07997158737909         0.54339581890000
            0.04543426048614         0.12049704910000
#
Mn GFN1-GTH-q15 GFN1-xTB-GTH-q15 GFN1-xTB-STO6G-GTH-q15 GFN1-UZH-q15 GFN1-xTB-UZH-q15 GFN1-xTB-STO6G-UZH-q15 GFN1-q15 GFN1-xTB-q15 GFN1-xTB-STO6G-q15
  3
   3 2 2   6 1
           10.11610583561137         0.00728382811200
            3.24485293938510         0.05386799363000
            1.34621150054805         0.20721391490000
            0.63385389306855         0.42662690920000
            0.32026723803405         0.38431002040000
            0.16499661663682         0.08902827546000
   1 0 0   6 1
           11.46018123400099         0.00137481748800
            1.27822627997783        -0.08666390043000
            0.60898517927160        -0.31306273090000
            0.18708949334192         0.78127873970000
            0.11214027218830         0.43892479880000
            0.06643525651620         0.02487178756000
   2 1 1   6 1
            3.85438361057220        -0.00166591357500
            1.28402127485554        -0.01657464971000
            0.55089266918020        -0.05958513378000
            0.14270027145372         0.40531155540000
            0.07997158737909         0.54339581890000
            0.04543426048614         0.12049704910000
#
Fe GFN1-GTH-q8 GFN1-xTB-GTH-q8 GFN1-xTB-STO6G-GTH-q8 GFN1-UZH-q8 GFN1-xTB-UZH-q8 GFN1-xTB-STO6G-UZH-q8 GFN1-q8 GFN1-xTB-q8 GFN1-xTB-STO6G-q8
  3
   3 2 2   6 1
           12.75971866944971         0.00728382811200
            4.09282102254604         0.05386799363000
            1.69801307891643         0.20721391490000
            0.79949710733739         0.42662690920000
            0.40396175393604         0.38431002040000
            0.20811470776489         0.08902827546000
   1 0 0   6 1
            6.18304829911401         0.00137481748800
            0.68963436658850        -0.08666390043000
            0.32856241101227        -0.31306273090000
            0.10093936125180         0.78127873970000
            0.06050242182549         0.43892479880000
            0.03584344709881         0.02487178756000
   2 1 1   6 1
            4.03863122442000        -0.00166591357500
            1.34540018259400        -0.01657464971000
            0.57722649322000        -0.05958513378000
            0.14952164347250         0.40531155540000
            0.08379439684460         0.54339581890000
            0.04760611334960         0.12049704910000
#
Fe GFN1-GTH-q16 GFN1-xTB-GTH-q16 GFN1-xTB-STO6G-GTH-q16 GFN1-UZH-q16 GFN1-xTB-UZH-q16 GFN1-xTB-STO6G-UZH-q16 GFN1-q16 GFN1-xTB-q16 GFN1-xTB-STO6G-q16
  3
   3 2 2   6 1
           12.75971866944971         0.00728382811200
            4.09282102254604         0.05386799363000
            1.69801307891643         0.20721391490000
            0.79949710733739         0.42662690920000
            0.40396175393604         0.38431002040000
            0.20811470776489         0.08902827546000
   1 0 0   6 1
            6.18304829911401         0.00137481748800
            0.68963436658850        -0.08666390043000
            0.32856241101227        -0.31306273090000
            0.10093936125180         0.78127873970000
            0.06050242182549         0.43892479880000
            0.03584344709881         0.02487178756000
   2 1 1   6 1
            4.03863122442000        -0.00166591357500
            1.34540018259400        -0.01657464971000
            0.57722649322000        -0.05958513378000
            0.14952164347250         0.40531155540000
            0.08379439684460         0.54339581890000
            0.04760611334960         0.12049704910000
#
Co GFN1-GTH-q9 GFN1-xTB-GTH-q9 GFN1-xTB-STO6G-GTH-q9 GFN1-UZH-q9 GFN1-xTB-UZH-q9 GFN1-xTB-STO6G-UZH-q9 GFN1-q9 GFN1-xTB-q9 GFN1-xTB-STO6G-q9
  3
   3 2 2   6 1
           12.93477694184473         0.00728382811200
            4.14897290143851         0.05386799363000
            1.72130914396298         0.20721391490000
            0.81046589011552         0.42662690920000
            0.40950394875943         0.38431002040000
            0.21096995889895         0.08902827546000
   1 0 0   6 1
           11.98070833648190         0.00137481748800
            1.33628395011814        -0.08666390043000
            0.63664558745778        -0.31306273090000
            0.19558719070686         0.78127873970000
            0.11723373884138         0.43892479880000
            0.06945277874127         0.02487178756000
   2 1 1   6 1
            4.35526947130500        -0.00166591357500
            1.45088274128850        -0.01657464971000
            0.62248241650500        -0.05958513378000
            0.16124449421813         0.40531155540000
            0.09036407588715         0.54339581890000
            0.05133854531340         0.12049704910000
#
Co GFN1-GTH-q17 GFN1-xTB-GTH-q17 GFN1-xTB-STO6G-GTH-q17 GFN1-UZH-q17 GFN1-xTB-UZH-q17 GFN1-xTB-STO6G-UZH-q17 GFN1-q17 GFN1-xTB-q17 GFN1-xTB-STO6G-q17
  3
   3 2 2   6 1
           12.93477694184473         0.00728382811200
            4.14897290143851         0.05386799363000
            1.72130914396298         0.20721391490000
            0.81046589011552         0.42662690920000
            0.40950394875943         0.38431002040000
            0.21096995889895         0.08902827546000
   1 0 0   6 1
           11.98070833648190         0.00137481748800
            1.33628395011814        -0.08666390043000
            0.63664558745778        -0.31306273090000
            0.19558719070686         0.78127873970000
            0.11723373884138         0.43892479880000
            0.06945277874127         0.02487178756000
   2 1 1   6 1
            4.35526947130500        -0.00166591357500
            1.45088274128850        -0.01657464971000
            0.62248241650500        -0.05958513378000
            0.16124449421813         0.40531155540000
            0.09036407588715         0.54339581890000
            0.05133854531340         0.12049704910000
#
Ni GFN1-GTH-q10 GFN1-xTB-GTH-q10 GFN1-xTB-STO6G-GTH-q10 GFN1-UZH-q10 GFN1-xTB-UZH-q10 GFN1-xTB-STO6G-UZH-q10 GFN1-q10 GFN1-xTB-q10 GFN1-xTB-STO6G-q10
  3
   3 2 2   6 1
           13.82061570730271         0.00728382811200
            4.43311549233538         0.05386799363000
            1.83919307608762         0.20721391490000
            0.86597068210178         0.42662690920000
            0.43754884462815         0.38431002040000
            0.22541824577549         0.08902827546000
   1 0 0   6 1
            7.59015523873350         0.00137481748800
            0.84657787666359        -0.08666390043000
            0.40333498697609        -0.31306273090000
            0.12391063186576         0.78127873970000
            0.07427125776142         0.43892479880000
            0.04400051796624         0.02487178756000
   2 1 1   6 1
            4.35526947130500        -0.00166591357500
            1.45088274128850        -0.01657464971000
            0.62248241650500        -0.05958513378000
            0.16124449421813         0.40531155540000
            0.09036407588715         0.54339581890000
            0.05133854531340         0.12049704910000
#
Ni GFN1-GTH-q18 GFN1-xTB-GTH-q18 GFN1-xTB-STO6G-GTH-q18 GFN1-UZH-q18 GFN1-xTB-UZH-q18 GFN1-xTB-STO6G-UZH-q18 GFN1-q18 GFN1-xTB-q18 GFN1-xTB-STO6G-q18
  3
   3 2 2   6 1
           13.82061570730271         0.00728382811200
            4.43311549233538         0.05386799363000
            1.83919307608762         0.20721391490000
            0.86597068210178         0.42662690920000
            0.43754884462815         0.38431002040000
            0.22541824577549         0.08902827546000
   1 0 0   6 1
            7.59015523873350         0.00137481748800
            0.84657787666359        -0.08666390043000
            0.40333498697609        -0.31306273090000
            0.12391063186576         0.78127873970000
            0.07427125776142         0.43892479880000
            0.04400051796624         0.02487178756000
   2 1 1   6 1
            4.35526947130500        -0.00166591357500
            1.45088274128850        -0.01657464971000
            0.62248241650500        -0.05958513378000
            0.16124449421813         0.40531155540000
            0.09036407588715         0.54339581890000
            0.05133854531340         0.12049704910000
#
Cu GFN1-GTH-q1 GFN1-xTB-GTH-q1 GFN1-xTB-STO6G-GTH-q1 GFN1-UZH-q1 GFN1-xTB-UZH-q1 GFN1-xTB-STO6G-UZH-q1 GFN1-q1 GFN1-xTB-q1 GFN1-xTB-STO6G-q1
  3
   3 2 2   6 1
           16.79872974739004         0.00728382811200
            5.38837854057112         0.05386799363000
            2.23550875683068         0.20721391490000
            1.05257303769065         0.42662690920000
            0.53183338194602         0.38431002040000
            0.27399214847659         0.08902827546000
   1 0 0   6 1
            8.10806549165274         0.00137481748800
            0.90434367307066        -0.08666390043000
            0.43085633779774        -0.31306273090000
            0.13236560869700         0.78127873970000
            0.07933911799378         0.43892479880000
            0.04700287018062         0.02487178756000
   2 1 1   6 1
            4.35526947130500        -0.00166591357500
            1.45088274128850        -0.01657464971000
            0.62248241650500        -0.05958513378000
            0.16124449421813         0.40531155540000
            0.09036407588715         0.54339581890000
            0.05133854531340         0.12049704910000
#
Cu GFN1-GTH-q11 GFN1-xTB-GTH-q11 GFN1-xTB-STO6G-GTH-q11 GFN1-UZH-q11 GFN1-xTB-UZH-q11 GFN1-xTB-STO6G-UZH-q11 GFN1-q11 GFN1-xTB-q11 GFN1-xTB-STO6G-q11
  3
   3 2 2   6 1
           16.79872974739004         0.00728382811200
            5.38837854057112         0.05386799363000
            2.23550875683068         0.20721391490000
            1.05257303769065         0.42662690920000
            0.53183338194602         0.38431002040000
            0.27399214847659         0.08902827546000
   1 0 0   6 1
            8.10806549165274         0.00137481748800
            0.90434367307066        -0.08666390043000
            0.43085633779774        -0.31306273090000
            0.13236560869700         0.78127873970000
            0.07933911799378         0.43892479880000
            0.04700287018062         0.02487178756000
   2 1 1   6 1
            4.35526947130500        -0.00166591357500
            1.45088274128850        -0.01657464971000
            0.62248241650500        -0.05958513378000
            0.16124449421813         0.40531155540000
            0.09036407588715         0.54339581890000
            0.05133854531340         0.12049704910000
#
Cu GFN1-GTH-q19 GFN1-xTB-GTH-q19 GFN1-xTB-STO6G-GTH-q19 GFN1-UZH-q19 GFN1-xTB-UZH-q19 GFN1-xTB-STO6G-UZH-q19 GFN1-q19 GFN1-xTB-q19 GFN1-xTB-STO6G-q19
  3
   3 2 2   6 1
           16.79872974739004         0.00728382811200
            5.38837854057112         0.05386799363000
            2.23550875683068         0.20721391490000
            1.05257303769065         0.42662690920000
            0.53183338194602         0.38431002040000
            0.27399214847659         0.08902827546000
   1 0 0   6 1
            8.10806549165274         0.00137481748800
            0.90434367307066        -0.08666390043000
            0.43085633779774        -0.31306273090000
            0.13236560869700         0.78127873970000
            0.07933911799378         0.43892479880000
            0.04700287018062         0.02487178756000
   2 1 1   6 1
            4.35526947130500        -0.00166591357500
            1.45088274128850        -0.01657464971000
            0.62248241650500        -0.05958513378000
            0.16124449421813         0.40531155540000
            0.09036407588715         0.54339581890000
            0.05133854531340         0.12049704910000
#
Zn GFN1-GTH-q2 GFN1-xTB-GTH-q2 GFN1-xTB-STO6G-GTH-q2 GFN1-UZH-q2 GFN1-xTB-UZH-q2 GFN1-xTB-STO6G-UZH-q2 GFN1-q2 GFN1-xTB-q2 GFN1-xTB-STO6G-q2
  2
   1 0 0   6 1
            9.59214203546646         0.00137481748800
            1.06987208846545        -0.08666390043000
            0.50971901907941        -0.31306273090000
            0.15659342176499         0.78127873970000
            0.09386111761782         0.43892479880000
            0.05560613777864         0.02487178756000
   2 1 1   6 1
            2.69495515620827        -0.00166591357500
            0.89777772660240        -0.01657464971000
            0.38517988589727        -0.05958513378000
            0.09977492413876         0.40531155540000
            0.05591551426440         0.54339581890000
            0.03176728290090         0.12049704910000
#
Zn GFN1-GTH-q12 GFN1-xTB-GTH-q12 GFN1-xTB-STO6G-GTH-q12 GFN1-UZH-q12 GFN1-xTB-UZH-q12 GFN1-xTB-STO6G-UZH-q12 GFN1-q12 GFN1-xTB-q12 GFN1-xTB-STO6G-q12
  2
   1 0 0   6 1
            9.59214203546646         0.00137481748800
            1.06987208846545        -0.08666390043000
            0.50971901907941        -0.31306273090000
            0.15659342176499         0.78127873970000
            0.09386111761782         0.43892479880000
            0.05560613777864         0.02487178756000
   2 1 1   6 1
            2.69495515620827        -0.00166591357500
            0.89777772660240        -0.01657464971000
            0.38517988589727        -0.05958513378000
            0.09977492413876         0.40531155540000
            0.05591551426440         0.54339581890000
            0.03176728290090         0.12049704910000
#
Zn GFN1-GTH-q20 GFN1-xTB-GTH-q20 GFN1-xTB-STO6G-GTH-q20 GFN1-UZH-q20 GFN1-xTB-UZH-q20 GFN1-xTB-STO6G-UZH-q20 GFN1-q20 GFN1-xTB-q20 GFN1-xTB-STO6G-q20
  2
   1 0 0   6 1
            9.59214203546646         0.00137481748800
            1.06987208846545        -0.08666390043000
            0.50971901907941        -0.31306273090000
            0.15659342176499         0.78127873970000
            0.09386111761782         0.43892479880000
            0.05560613777864         0.02487178756000
   2 1 1   6 1
            2.69495515620827        -0.00166591357500
            0.89777772660240        -0.01657464971000
            0.38517988589727        -0.05958513378000
            0.09977492413876         0.40531155540000
            0.05591551426440         0.54339581890000
            0.03176728290090         0.12049704910000
#
Ga GFN1-GTH-q3 GFN1-xTB-GTH-q3 GFN1-xTB-STO6G-GTH-q3 GFN1-UZH-q3 GFN1-xTB-UZH-q3 GFN1-xTB-STO6G-UZH-q3 GFN1-q3 GFN1-xTB-q3 GFN1-xTB-STO6G-q3
  3
   1 0 0   6 1
           12.83267044285240         0.00137481748800
            1.43130865624382        -0.08666390043000
            0.68191819576011        -0.31306273090000
            0.20949562335490         0.78127873970000
            0.12557036638258         0.43892479880000
            0.07439164662853         0.02487178756000
   2 1 1   6 1
            5.24897346888571        -0.00166591357500
            1.74860477994846        -0.01657464971000
            0.75021619456846        -0.05958513378000
            0.19433196446998         0.40531155540000
            0.10890684032231         0.54339581890000
            0.06187324666285         0.12049704910000
   3 2 2   6 1
            2.35432451074468        -0.00047498428760
            0.68159522619514        -0.00356677789100
            0.11225356640273         0.11086704810000
            0.05595768239364         0.41596469300000
            0.02999495460723         0.46216725170000
            0.01642266774125         0.10812501960000
#
Ga GFN1-GTH-q13 GFN1-xTB-GTH-q13 GFN1-xTB-STO6G-GTH-q13 GFN1-UZH-q13 GFN1-xTB-UZH-q13 GFN1-xTB-STO6G-UZH-q13 GFN1-q13 GFN1-xTB-q13 GFN1-xTB-STO6G-q13
  3
   1 0 0   6 1
           12.83267044285240         0.00137481748800
            1.43130865624382        -0.08666390043000
            0.68191819576011        -0.31306273090000
            0.20949562335490         0.78127873970000
            0.12557036638258         0.43892479880000
            0.07439164662853         0.02487178756000
   2 1 1   6 1
            5.24897346888571        -0.00166591357500
            1.74860477994846        -0.01657464971000
            0.75021619456846        -0.05958513378000
            0.19433196446998         0.40531155540000
            0.10890684032231         0.54339581890000
            0.06187324666285         0.12049704910000
   3 2 2   6 1
            2.35432451074468        -0.00047498428760
            0.68159522619514        -0.00356677789100
            0.11225356640273         0.11086704810000
            0.05595768239364         0.41596469300000
            0.02999495460723         0.46216725170000
            0.01642266774125         0.10812501960000
#
Ga GFN1-GTH-q21 GFN1-xTB-GTH-q21 GFN1-xTB-STO6G-GTH-q21 GFN1-UZH-q21 GFN1-xTB-UZH-q21 GFN1-xTB-STO6G-UZH-q21 GFN1-q21 GFN1-xTB-q21 GFN1-xTB-STO6G-q21
  3
   1 0 0   6 1
           12.83267044285240         0.00137481748800
            1.43130865624382        -0.08666390043000
            0.68191819576011        -0.31306273090000
            0.20949562335490         0.78127873970000
            0.12557036638258         0.43892479880000
            0.07439164662853         0.02487178756000
   2 1 1   6 1
            5.24897346888571        -0.00166591357500
            1.74860477994846        -0.01657464971000
            0.75021619456846        -0.05958513378000
            0.19433196446998         0.40531155540000
            0.10890684032231         0.54339581890000
            0.06187324666285         0.12049704910000
   3 2 2   6 1
            2.35432451074468        -0.00047498428760
            0.68159522619514        -0.00356677789100
            0.11225356640273         0.11086704810000
            0.05595768239364         0.41596469300000
            0.02999495460723         0.46216725170000
            0.01642266774125         0.10812501960000
#
Ge GFN1-GTH-q4 GFN1-xTB-GTH-q4 GFN1-xTB-STO6G-GTH-q4 GFN1-UZH-q4 GFN1-xTB-UZH-q4 GFN1-xTB-STO6G-UZH-q4 GFN1-q4 GFN1-xTB-q4 GFN1-xTB-STO6G-q4
  3
   1 0 0   6 1
           15.26454611670916         0.00137481748800
            1.70255108535480        -0.08666390043000
            0.81114619076040        -0.31306273090000
            0.24919642549776         0.78127873970000
            0.14936677888479         0.43892479880000
            0.08848935423972         0.02487178756000
   2 1 1   6 1
            7.69541418008016        -0.00166591357500
            2.56359421489472        -0.01657464971000
            1.09987683801981        -0.05958513378000
            0.28490617525308         0.40531155540000
            0.15966612296517         0.54339581890000
            0.09071111952828         0.12049704910000
   3 2 2   6 1
            2.74761914197359        -0.00047498428760
            0.79545707570245        -0.00356677789100
            0.13100574980013         0.11086704810000
            0.06530552546327         0.41596469300000
            0.03500567193067         0.46216725170000
            0.01916610732386         0.10812501960000
#
Ge GFN1-GTH-q14 GFN1-xTB-GTH-q14 GFN1-xTB-STO6G-GTH-q14 GFN1-UZH-q14 GFN1-xTB-UZH-q14 GFN1-xTB-STO6G-UZH-q14 GFN1-q14 GFN1-xTB-q14 GFN1-xTB-STO6G-q14
  3
   1 0 0   6 1
           15.26454611670916         0.00137481748800
            1.70255108535480        -0.08666390043000
            0.81114619076040        -0.31306273090000
            0.24919642549776         0.78127873970000
            0.14936677888479         0.43892479880000
            0.08848935423972         0.02487178756000
   2 1 1   6 1
            7.69541418008016        -0.00166591357500
            2.56359421489472        -0.01657464971000
            1.09987683801981        -0.05958513378000
            0.28490617525308         0.40531155540000
            0.15966612296517         0.54339581890000
            0.09071111952828         0.12049704910000
   3 2 2   6 1
            2.74761914197359        -0.00047498428760
            0.79545707570245        -0.00356677789100
            0.13100574980013         0.11086704810000
            0.06530552546327         0.41596469300000
            0.03500567193067         0.46216725170000
            0.01916610732386         0.10812501960000
#
Ge GFN1-GTH-q22 GFN1-xTB-GTH-q22 GFN1-xTB-STO6G-GTH-q22 GFN1-UZH-q22 GFN1-xTB-UZH-q22 GFN1-xTB-STO6G-UZH-q22 GFN1-q22 GFN1-xTB-q22 GFN1-xTB-STO6G-q22
  3
   1 0 0   6 1
           15.26454611670916         0.00137481748800
            1.70255108535480        -0.08666390043000
            0.81114619076040        -0.31306273090000
            0.24919642549776         0.78127873970000
            0.14936677888479         0.43892479880000
            0.08848935423972         0.02487178756000
   2 1 1   6 1
            7.69541418008016        -0.00166591357500
            2.56359421489472        -0.01657464971000
            1.09987683801981        -0.05958513378000
            0.28490617525308         0.40531155540000
            0.15966612296517         0.54339581890000
            0.09071111952828         0.12049704910000
   3 2 2   6 1
            2.74761914197359        -0.00047498428760
            0.79545707570245        -0.00356677789100
            0.13100574980013         0.11086704810000
            0.06530552546327         0.41596469300000
            0.03500567193067         0.46216725170000
            0.01916610732386         0.10812501960000
#
As GFN1-GTH-q5 GFN1-xTB-GTH-q5 GFN1-xTB-STO6G-GTH-q5 GFN1-UZH-q5 GFN1-xTB-UZH-q5 GFN1-xTB-STO6G-UZH-q5 GFN1-q5 GFN1-xTB-q5 GFN1-xTB-STO6G-q5
  3
   1 0 0   6 1
           16.58674202346056         0.00137481748800
            1.85002393249220        -0.08666390043000
            0.88140666002037        -0.31306273090000
            0.27078150842463         0.78127873970000
            0.16230474259076         0.43892479880000
            0.09615419150853         0.02487178756000
   2 1 1   6 1
            9.42943599775557        -0.00166591357500
            3.14125360999275        -0.01657464971000
            1.34771410697657        -0.05958513378000
            0.34910460724367         0.40531155540000
            0.19564398384261         0.54339581890000
            0.11115122277509         0.12049704910000
   3 2 2   6 1
            5.74602472463211        -0.00047498428760
            1.66351877323389        -0.00356677789100
            0.27396893038087         0.11086704810000
            0.13657175342632         0.41596469300000
            0.07320645476050         0.46216725170000
            0.04008158367930         0.10812501960000
#
As GFN1-GTH-q15 GFN1-xTB-GTH-q15 GFN1-xTB-STO6G-GTH-q15 GFN1-UZH-q15 GFN1-xTB-UZH-q15 GFN1-xTB-STO6G-UZH-q15 GFN1-q15 GFN1-xTB-q15 GFN1-xTB-STO6G-q15
  3
   1 0 0   6 1
           16.58674202346056         0.00137481748800
            1.85002393249220        -0.08666390043000
            0.88140666002037        -0.31306273090000
            0.27078150842463         0.78127873970000
            0.16230474259076         0.43892479880000
            0.09615419150853         0.02487178756000
   2 1 1   6 1
            9.42943599775557        -0.00166591357500
            3.14125360999275        -0.01657464971000
            1.34771410697657        -0.05958513378000
            0.34910460724367         0.40531155540000
            0.19564398384261         0.54339581890000
            0.11115122277509         0.12049704910000
   3 2 2   6 1
            5.74602472463211        -0.00047498428760
            1.66351877323389        -0.00356677789100
            0.27396893038087         0.11086704810000
            0.13657175342632         0.41596469300000
            0.07320645476050         0.46216725170000
            0.04008158367930         0.10812501960000
#
As GFN1-GTH-q23 GFN1-xTB-GTH-q23 GFN1-xTB-STO6G-GTH-q23 GFN1-UZH-q23 GFN1-xTB-UZH-q23 GFN1-xTB-STO6G-UZH-q23 GFN1-q23 GFN1-xTB-q23 GFN1-xTB-STO6G-q23
  3
   1 0 0   6 1
           16.58674202346056         0.00137481748800
            1.85002393249220        -0.08666390043000
            0.88140666002037        -0.31306273090000
            0.27078150842463         0.78127873970000
            0.16230474259076         0.43892479880000
            0.09615419150853         0.02487178756000
   2 1 1   6 1
            9.42943599775557        -0.00166591357500
            3.14125360999275        -0.01657464971000
            1.34771410697657        -0.05958513378000
            0.34910460724367         0.40531155540000
            0.19564398384261         0.54339581890000
            0.11115122277509         0.12049704910000
   3 2 2   6 1
            5.74602472463211        -0.00047498428760
            1.66351877323389        -0.00356677789100
            0.27396893038087         0.11086704810000
            0.13657175342632         0.41596469300000
            0.07320645476050         0.46216725170000
            0.04008158367930         0.10812501960000
#
Se GFN1-GTH-q6 GFN1-xTB-GTH-q6 GFN1-xTB-STO6G-GTH-q6 GFN1-UZH-q6 GFN1-xTB-UZH-q6 GFN1-xTB-STO6G-UZH-q6 GFN1-q6 GFN1-xTB-q6 GFN1-xTB-STO6G-q6
  3
   1 0 0   6 1
           29.96850343462770         0.00137481748800
            3.34257616695415        -0.08666390043000
            1.59250312573519        -0.31306273090000
            0.48924113932558         0.78127873970000
            0.29324807903251         0.43892479880000
            0.17372894655271         0.02487178756000
   2 1 1   6 1
           10.52394782151605        -0.00166591357500
            3.50587130487776        -0.01657464971000
            1.50414859844411        -0.05958513378000
            0.38962655579376         0.40531155540000
            0.21835315262156         0.54339581890000
            0.12405298355715         0.12049704910000
   3 2 2   6 1
           16.08984867802108        -0.00047498428760
            4.65813612316020        -0.00356677789100
            0.76715970493666         0.11086704810000
            0.38242418917927         0.41596469300000
            0.20499055186823         0.46216725170000
            0.11223526648097         0.10812501960000
#
Se GFN1-GTH-q16 GFN1-xTB-GTH-q16 GFN1-xTB-STO6G-GTH-q16 GFN1-UZH-q16 GFN1-xTB-UZH-q16 GFN1-xTB-STO6G-UZH-q16 GFN1-q16 GFN1-xTB-q16 GFN1-xTB-STO6G-q16
  3
   1 0 0   6 1
           29.96850343462770         0.00137481748800
            3.34257616695415        -0.08666390043000
            1.59250312573519        -0.31306273090000
            0.48924113932558         0.78127873970000
            0.29324807903251         0.43892479880000
            0.17372894655271         0.02487178756000
   2 1 1   6 1
           10.52394782151605        -0.00166591357500
            3.50587130487776        -0.01657464971000
            1.50414859844411        -0.05958513378000
            0.38962655579376         0.40531155540000
            0.21835315262156         0.54339581890000
            0.12405298355715         0.12049704910000
   3 2 2   6 1
           16.08984867802108        -0.00047498428760
            4.65813612316020        -0.00356677789100
            0.76715970493666         0.11086704810000
            0.38242418917927         0.41596469300000
            0.20499055186823         0.46216725170000
            0.11223526648097         0.10812501960000
#
Se GFN1-GTH-q24 GFN1-xTB-GTH-q24 GFN1-xTB-STO6G-GTH-q24 GFN1-UZH-q24 GFN1-xTB-UZH-q24 GFN1-xTB-STO6G-UZH-q24 GFN1-q24 GFN1-xTB-q24 GFN1-xTB-STO6G-q24
  3
   1 0 0   6 1
           29.96850343462770         0.00137481748800
            3.34257616695415        -0.08666390043000
            1.59250312573519        -0.31306273090000
            0.48924113932558         0.78127873970000
            0.29324807903251         0.43892479880000
            0.17372894655271         0.02487178756000
   2 1 1   6 1
           10.52394782151605        -0.00166591357500
            3.50587130487776        -0.01657464971000
            1.50414859844411        -0.05958513378000
            0.38962655579376         0.40531155540000
            0.21835315262156         0.54339581890000
            0.12405298355715         0.12049704910000
   3 2 2   6 1
           16.08984867802108        -0.00047498428760
            4.65813612316020        -0.00356677789100
            0.76715970493666         0.11086704810000
            0.38242418917927         0.41596469300000
            0.20499055186823         0.46216725170000
            0.11223526648097         0.10812501960000
#
Br GFN1-GTH-q7 GFN1-xTB-GTH-q7 GFN1-xTB-STO6G-GTH-q7 GFN1-UZH-q7 GFN1-xTB-UZH-q7 GFN1-xTB-STO6G-UZH-q7 GFN1-q7 GFN1-xTB-q7 GFN1-xTB-STO6G-q7
  3
   1 0 0   6 1
           26.93072273965026         0.00137481748800
            3.00375333005091        -0.08666390043000
            1.43107780589557        -0.31306273090000
            0.43964883013757         0.78127873970000
            0.26352275907226         0.43892479880000
            0.15611877655714         0.02487178756000
   2 1 1   6 1
           11.47168189044446        -0.00166591357500
            3.82159252786958        -0.01657464971000
            1.63960469302507        -0.05958513378000
            0.42471437334547         0.40531155540000
            0.23801694469912         0.54339581890000
            0.13522457437680         0.12049704910000
   3 2 2   6 1
           14.83853092270971        -0.00047498428760
            4.29586991704418        -0.00356677789100
            0.70749720722417         0.11086704810000
            0.35268281699134         0.41596469300000
            0.18904830639676         0.46216725170000
            0.10350665849153         0.10812501960000
#
Br GFN1-GTH-q17 GFN1-xTB-GTH-q17 GFN1-xTB-STO6G-GTH-q17 GFN1-UZH-q17 GFN1-xTB-UZH-q17 GFN1-xTB-STO6G-UZH-q17 GFN1-q17 GFN1-xTB-q17 GFN1-xTB-STO6G-q17
  3
   1 0 0   6 1
           26.93072273965026         0.00137481748800
            3.00375333005091        -0.08666390043000
            1.43107780589557        -0.31306273090000
            0.43964883013757         0.78127873970000
            0.26352275907226         0.43892479880000
            0.15611877655714         0.02487178756000
   2 1 1   6 1
           11.47168189044446        -0.00166591357500
            3.82159252786958        -0.01657464971000
            1.63960469302507        -0.05958513378000
            0.42471437334547         0.40531155540000
            0.23801694469912         0.54339581890000
            0.13522457437680         0.12049704910000
   3 2 2   6 1
           14.83853092270971        -0.00047498428760
            4.29586991704418        -0.00356677789100
            0.70749720722417         0.11086704810000
            0.35268281699134         0.41596469300000
            0.18904830639676         0.46216725170000
            0.10350665849153         0.10812501960000
#
Br GFN1-GTH-q25 GFN1-xTB-GTH-q25 GFN1-xTB-STO6G-GTH-q25 GFN1-UZH-q25 GFN1-xTB-UZH-q25 GFN1-xTB-STO6G-UZH-q25 GFN1-q25 GFN1-xTB-q25 GFN1-xTB-STO6G-q25
  3
   1 0 0   6 1
           26.93072273965026         0.00137481748800
            3.00375333005091        -0.08666390043000
            1.43107780589557        -0.31306273090000
            0.43964883013757         0.78127873970000
            0.26352275907226         0.43892479880000
            0.15611877655714         0.02487178756000
   2 1 1   6 1
           11.47168189044446        -0.00166591357500
            3.82159252786958        -0.01657464971000
            1.63960469302507        -0.05958513378000
            0.42471437334547         0.40531155540000
            0.23801694469912         0.54339581890000
            0.13522457437680         0.12049704910000
   3 2 2   6 1
           14.83853092270971        -0.00047498428760
            4.29586991704418        -0.00356677789100
            0.70749720722417         0.11086704810000
            0.35268281699134         0.41596469300000
            0.18904830639676         0.46216725170000
            0.10350665849153         0.10812501960000
#
Kr GFN1-GTH-q8 GFN1-xTB-GTH-q8 GFN1-xTB-STO6G-GTH-q8 GFN1-UZH-q8 GFN1-xTB-UZH-q8 GFN1-xTB-STO6G-UZH-q8 GFN1-q8 GFN1-xTB-q8 GFN1-xTB-STO6G-q8
  3
   1 0 0   6 1
           25.85681858368839         0.00137481748800
            2.88397402758619        -0.08666390043000
            1.37401136849939        -0.31306273090000
            0.42211715412527         0.78127873970000
            0.25301438211951         0.43892479880000
            0.14989329926159         0.02487178756000
   2 1 1   6 1
            9.23169008794650        -0.00166591357500
            3.07537797827980        -0.01657464971000
            1.31945102185567        -0.05958513378000
            0.34178348982006         0.40531155540000
            0.19154110880397         0.54339581890000
            0.10882025624864         0.12049704910000
   3 2 2   6 1
           10.60307485281153        -0.00047498428760
            3.06967249828279        -0.00356677789100
            0.50555178847740         0.11086704810000
            0.25201432185826         0.41596469300000
            0.13508704830438         0.46216725170000
            0.07396209594243         0.10812501960000
#
Kr GFN1-GTH-q18 GFN1-xTB-GTH-q18 GFN1-xTB-STO6G-GTH-q18 GFN1-UZH-q18 GFN1-xTB-UZH-q18 GFN1-xTB-STO6G-UZH-q18 GFN1-q18 GFN1-xTB-q18 GFN1-xTB-STO6G-q18
  3
   1 0 0   6 1
           25.85681858368839         0.00137481748800
            2.88397402758619        -0.08666390043000
            1.37401136849939        -0.31306273090000
            0.42211715412527         0.78127873970000
            0.25301438211951         0.43892479880000
            0.14989329926159         0.02487178756000
   2 1 1   6 1
            9.23169008794650        -0.00166591357500
            3.07537797827980        -0.01657464971000
            1.31945102185567        -0.05958513378000
            0.34178348982006         0.40531155540000
            0.19154110880397         0.54339581890000
            0.10882025624864         0.12049704910000
   3 2 2   6 1
           10.60307485281153        -0.00047498428760
            3.06967249828279        -0.00356677789100
            0.50555178847740         0.11086704810000
            0.25201432185826         0.41596469300000
            0.13508704830438         0.46216725170000
            0.07396209594243         0.10812501960000
#
Kr GFN1-GTH-q26 GFN1-xTB-GTH-q26 GFN1-xTB-STO6G-GTH-q26 GFN1-UZH-q26 GFN1-xTB-UZH-q26 GFN1-xTB-STO6G-UZH-q26 GFN1-q26 GFN1-xTB-q26 GFN1-xTB-STO6G-q26
  3
   1 0 0   6 1
           25.85681858368839         0.00137481748800
            2.88397402758619        -0.08666390043000
            1.37401136849939        -0.31306273090000
            0.42211715412527         0.78127873970000
            0.25301438211951         0.43892479880000
            0.14989329926159         0.02487178756000
   2 1 1   6 1
            9.23169008794650        -0.00166591357500
            3.07537797827980        -0.01657464971000
            1.31945102185567        -0.05958513378000
            0.34178348982006         0.40531155540000
            0.19154110880397         0.54339581890000
            0.10882025624864         0.12049704910000
   3 2 2   6 1
           10.60307485281153        -0.00047498428760
            3.06967249828279        -0.00356677789100
            0.50555178847740         0.11086704810000
            0.25201432185826         0.41596469300000
            0.13508704830438         0.46216725170000
            0.07396209594243         0.10812501960000
#
Rb GFN1-GTH-q1 GFN1-xTB-GTH-q1 GFN1-xTB-STO6G-GTH-q1 GFN1-UZH-q1 GFN1-xTB-UZH-q1 GFN1-xTB-STO6G-UZH-q1 GFN1-q1 GFN1-xTB-q1 GFN1-xTB-STO6G-q1
  2
   1 0 0   6 1
            0.92410953304813         0.00269543958200
            0.33277229594435         0.01850157487000
            0.12110152163286        -0.09588628125000
            0.06953590340277        -0.52006735600000
            0.02404815500939         1.08761949000000
            0.01450627187628         0.31039643430000
   2 1 1   6 1
            3.41202422115679         0.00011632463870
            0.31596390523648        -0.02920771322000
            0.15198750709588        -0.13810512330000
            0.04879771921952         0.57061348770000
            0.03005943321386         0.47688081400000
            0.01863585262630         0.06021665516000
#
Rb GFN1-GTH-q9 GFN1-xTB-GTH-q9 GFN1-xTB-STO6G-GTH-q9 GFN1-UZH-q9 GFN1-xTB-UZH-q9 GFN1-xTB-STO6G-UZH-q9 GFN1-q9 GFN1-xTB-q9 GFN1-xTB-STO6G-q9
  2
   1 0 0   6 1
            0.92410953304813         0.00269543958200
            0.33277229594435         0.01850157487000
            0.12110152163286        -0.09588628125000
            0.06953590340277        -0.52006735600000
            0.02404815500939         1.08761949000000
            0.01450627187628         0.31039643430000
   2 1 1   6 1
            3.41202422115679         0.00011632463870
            0.31596390523648        -0.02920771322000
            0.15198750709588        -0.13810512330000
            0.04879771921952         0.57061348770000
            0.03005943321386         0.47688081400000
            0.01863585262630         0.06021665516000
#
Sr GFN1-GTH-q2 GFN1-xTB-GTH-q2 GFN1-xTB-STO6G-GTH-q2 GFN1-UZH-q2 GFN1-xTB-UZH-q2 GFN1-xTB-STO6G-UZH-q2 GFN1-q2 GFN1-xTB-q2 GFN1-xTB-STO6G-q2
  3
   1 0 0   6 1
            3.00065180275034         0.00269543958200
            1.08053618539912         0.01850157487000
            0.39322557143722        -0.09588628125000
            0.22578820631053        -0.52006735600000
            0.07808613275933         1.08761949000000
            0.04710293455491         0.31039643430000
   2 1 1   6 1
            2.01726007991543         0.00011632463870
            0.18680446896466        -0.02920771322000
            0.08985819291940        -0.13810512330000
            0.02885023217657         0.57061348770000
            0.01777176559041         0.47688081400000
            0.01101790582995         0.06021665516000
   3 2 2   6 1
            4.89879078681494        -0.00047498428760
            1.41823796982245        -0.00356677789100
            0.23357304159691         0.11086704810000
            0.11643466213363         0.41596469300000
            0.06241238478818         0.46216725170000
            0.03417167559467         0.10812501960000
#
Sr GFN1-GTH-q10 GFN1-xTB-GTH-q10 GFN1-xTB-STO6G-GTH-q10 GFN1-UZH-q10 GFN1-xTB-UZH-q10 GFN1-xTB-STO6G-UZH-q10 GFN1-q10 GFN1-xTB-q10 GFN1-xTB-STO6G-q10
  3
   1 0 0   6 1
            3.00065180275034         0.00269543958200
            1.08053618539912         0.01850157487000
            0.39322557143722        -0.09588628125000
            0.22578820631053        -0.52006735600000
            0.07808613275933         1.08761949000000
            0.04710293455491         0.31039643430000
   2 1 1   6 1
            2.01726007991543         0.00011632463870
            0.18680446896466        -0.02920771322000
            0.08985819291940        -0.13810512330000
            0.02885023217657         0.57061348770000
            0.01777176559041         0.47688081400000
            0.01101790582995         0.06021665516000
   3 2 2   6 1
            4.89879078681494        -0.00047498428760
            1.41823796982245        -0.00356677789100
            0.23357304159691         0.11086704810000
            0.11643466213363         0.41596469300000
            0.06241238478818         0.46216725170000
            0.03417167559467         0.10812501960000
#
Y GFN1-GTH-q3 GFN1-xTB-GTH-q3 GFN1-xTB-STO6G-GTH-q3 GFN1-UZH-q3 GFN1-xTB-UZH-q3 GFN1-xTB-STO6G-UZH-q3 GFN1-q3 GFN1-xTB-q3 GFN1-xTB-STO6G-q3
  3
   3 2 2   6 1
           24.51512653180000        -0.00047498428760
            7.09731948055000        -0.00356677789100
            1.16887471181200         0.11086704810000
            0.58267654184700         0.41596469300000
            0.31233167057300         0.46216725170000
            0.17100606812230         0.10812501960000
   1 0 0   6 1
            3.57867124482300         0.00269543958200
            1.28868126989418         0.01850157487000
            0.46897312242015        -0.09588628125000
            0.26928208084759        -0.52006735600000
            0.09312796562037         1.08761949000000
            0.05617643382813         0.31039643430000
   2 1 1   6 1
            5.17255753666860         0.00011632463870
            0.47899468861101        -0.02920771322000
            0.23040988995141        -0.13810512330000
            0.07397632430510         0.57061348770000
            0.04556947364389         0.47688081400000
            0.02825156379509         0.06021665516000
#
Y GFN1-GTH-q11 GFN1-xTB-GTH-q11 GFN1-xTB-STO6G-GTH-q11 GFN1-UZH-q11 GFN1-xTB-UZH-q11 GFN1-xTB-STO6G-UZH-q11 GFN1-q11 GFN1-xTB-q11 GFN1-xTB-STO6G-q11
  3
   3 2 2   6 1
           24.51512653180000        -0.00047498428760
            7.09731948055000        -0.00356677789100
            1.16887471181200         0.11086704810000
            0.58267654184700         0.41596469300000
            0.31233167057300         0.46216725170000
            0.17100606812230         0.10812501960000
   1 0 0   6 1
            3.57867124482300         0.00269543958200
            1.28868126989418         0.01850157487000
            0.46897312242015        -0.09588628125000
            0.26928208084759        -0.52006735600000
            0.09312796562037         1.08761949000000
            0.05617643382813         0.31039643430000
   2 1 1   6 1
            5.17255753666860         0.00011632463870
            0.47899468861101        -0.02920771322000
            0.23040988995141        -0.13810512330000
            0.07397632430510         0.57061348770000
            0.04556947364389         0.47688081400000
            0.02825156379509         0.06021665516000
#
Zr GFN1-GTH-q4 GFN1-xTB-GTH-q4 GFN1-xTB-STO6G-GTH-q4 GFN1-UZH-q4 GFN1-xTB-UZH-q4 GFN1-xTB-STO6G-UZH-q4 GFN1-q4 GFN1-xTB-q4 GFN1-xTB-STO6G-q4
  3
   3 2 2   6 1
           21.93617594135032        -0.00047498428760
            6.35069326015372        -0.00356677789100
            1.04591103368132         0.11086704810000
            0.52137993749588         0.41596469300000
            0.27947489762526         0.46216725170000
            0.15301651380438         0.10812501960000
   1 0 0   6 1
            3.91344370899865         0.00269543958200
            1.40923299838378         0.01850157487000
            0.51284395521930        -0.09588628125000
            0.29447249918906        -0.52006735600000
            0.10183976852193         1.08761949000000
            0.06143154721929         0.31039643430000
   2 1 1   6 1
            5.71667930252460         0.00011632463870
            0.52938203258061        -0.02920771322000
            0.25464761670501        -0.13810512330000
            0.08175818616494         0.57061348770000
            0.05036310663733         0.47688081400000
            0.03122345742245         0.06021665516000
#
Zr GFN1-GTH-q12 GFN1-xTB-GTH-q12 GFN1-xTB-STO6G-GTH-q12 GFN1-UZH-q12 GFN1-xTB-UZH-q12 GFN1-xTB-STO6G-UZH-q12 GFN1-q12 GFN1-xTB-q12 GFN1-xTB-STO6G-q12
  3
   3 2 2   6 1
           21.93617594135032        -0.00047498428760
            6.35069326015372        -0.00356677789100
            1.04591103368132         0.11086704810000
            0.52137993749588         0.41596469300000
            0.27947489762526         0.46216725170000
            0.15301651380438         0.10812501960000
   1 0 0   6 1
            3.91344370899865         0.00269543958200
            1.40923299838378         0.01850157487000
            0.51284395521930        -0.09588628125000
            0.29447249918906        -0.52006735600000
            0.10183976852193         1.08761949000000
            0.06143154721929         0.31039643430000
   2 1 1   6 1
            5.71667930252460         0.00011632463870
            0.52938203258061        -0.02920771322000
            0.25464761670501        -0.13810512330000
            0.08175818616494         0.57061348770000
            0.05036310663733         0.47688081400000
            0.03122345742245         0.06021665516000
#
Nb GFN1-GTH-q5 GFN1-xTB-GTH-q5 GFN1-xTB-STO6G-GTH-q5 GFN1-UZH-q5 GFN1-xTB-UZH-q5 GFN1-xTB-STO6G-UZH-q5 GFN1-q5 GFN1-xTB-q5 GFN1-xTB-STO6G-q5
  3
   3 2 2   6 1
           20.28716659482042        -0.00047498428760
            5.87329225047284        -0.00356677789100
            0.96728670668875         0.11086704810000
            0.48218621511133         0.41596469300000
            0.25846591595331         0.46216725170000
            0.14151379509391         0.10812501960000
   1 0 0   6 1
            3.00571007153844         0.00269543958200
            1.08235767046980         0.01850157487000
            0.39388844096206        -0.09588628125000
            0.22616882276049        -0.52006735600000
            0.07821776437608         1.08761949000000
            0.04718233707122         0.31039643430000
   2 1 1   6 1
            5.44121765856000         0.00011632463870
            0.50387343969600        -0.02920771322000
            0.24237726753600        -0.13810512330000
            0.07781861859840         0.57061348770000
            0.04793632993440         0.47688081400000
            0.02971893627360         0.06021665516000
#
Nb GFN1-GTH-q13 GFN1-xTB-GTH-q13 GFN1-xTB-STO6G-GTH-q13 GFN1-UZH-q13 GFN1-xTB-UZH-q13 GFN1-xTB-STO6G-UZH-q13 GFN1-q13 GFN1-xTB-q13 GFN1-xTB-STO6G-q13
  3
   3 2 2   6 1
           20.28716659482042        -0.00047498428760
            5.87329225047284        -0.00356677789100
            0.96728670668875         0.11086704810000
            0.48218621511133         0.41596469300000
            0.25846591595331         0.46216725170000
            0.14151379509391         0.10812501960000
   1 0 0   6 1
            3.00571007153844         0.00269543958200
            1.08235767046980         0.01850157487000
            0.39388844096206        -0.09588628125000
            0.22616882276049        -0.52006735600000
            0.07821776437608         1.08761949000000
            0.04718233707122         0.31039643430000
   2 1 1   6 1
            5.44121765856000         0.00011632463870
            0.50387343969600        -0.02920771322000
            0.24237726753600        -0.13810512330000
            0.07781861859840         0.57061348770000
            0.04793632993440         0.47688081400000
            0.02971893627360         0.06021665516000
#
Mo GFN1-GTH-q6 GFN1-xTB-GTH-q6 GFN1-xTB-STO6G-GTH-q6 GFN1-UZH-q6 GFN1-xTB-UZH-q6 GFN1-xTB-STO6G-UZH-q6 GFN1-q6 GFN1-xTB-q6 GFN1-xTB-STO6G-q6
  3
   3 2 2   6 1
           16.57562524920042        -0.00047498428760
            4.79877221236634        -0.00356677789100
            0.79032140262995         0.11086704810000
            0.39397014682456         0.41596469300000
            0.21117952290229         0.46216725170000
            0.11562381686497         0.10812501960000
   1 0 0   6 1
            4.71204153685036         0.00269543958200
            1.69680846774814         0.01850157487000
            0.61749757978103        -0.09588628125000
            0.35456410027015        -0.52006735600000
            0.12262172527872         1.08761949000000
            0.07396759061710         0.31039643430000
   2 1 1   6 1
            5.62410302986160         0.00011632463870
            0.52080918586356        -0.02920771322000
            0.25052383680596        -0.13810512330000
            0.08043418883462         0.57061348770000
            0.04954752324608         0.47688081400000
            0.03071782274280         0.06021665516000
#
Mo GFN1-GTH-q14 GFN1-xTB-GTH-q14 GFN1-xTB-STO6G-GTH-q14 GFN1-UZH-q14 GFN1-xTB-UZH-q14 GFN1-xTB-STO6G-UZH-q14 GFN1-q14 GFN1-xTB-q14 GFN1-xTB-STO6G-q14
  3
   3 2 2   6 1
           16.57562524920042        -0.00047498428760
            4.79877221236634        -0.00356677789100
            0.79032140262995         0.11086704810000
            0.39397014682456         0.41596469300000
            0.21117952290229         0.46216725170000
            0.11562381686497         0.10812501960000
   1 0 0   6 1
            4.71204153685036         0.00269543958200
            1.69680846774814         0.01850157487000
            0.61749757978103        -0.09588628125000
            0.35456410027015        -0.52006735600000
            0.12262172527872         1.08761949000000
            0.07396759061710         0.31039643430000
   2 1 1   6 1
            5.62410302986160         0.00011632463870
            0.52080918586356        -0.02920771322000
            0.25052383680596        -0.13810512330000
            0.08043418883462         0.57061348770000
            0.04954752324608         0.47688081400000
            0.03071782274280         0.06021665516000
#
Tc GFN1-GTH-q7 GFN1-xTB-GTH-q7 GFN1-xTB-STO6G-GTH-q7 GFN1-UZH-q7 GFN1-xTB-UZH-q7 GFN1-xTB-STO6G-UZH-q7 GFN1-q7 GFN1-xTB-q7 GFN1-xTB-STO6G-q7
  3
   3 2 2   6 1
           20.83789243399182        -0.00047498428760
            6.03273165706629        -0.00356677789100
            0.99354516820286         0.11086704810000
            0.49527588964586         0.41596469300000
            0.26548236439599         0.46216725170000
            0.14535540122422         0.10812501960000
   1 0 0   6 1
            4.51372547458298         0.00269543958200
            1.62539475649068         0.01850157487000
            0.59150891063961        -0.09588628125000
            0.33964153313294        -0.52006735600000
            0.11746093509563         1.08761949000000
            0.07085451082104         0.31039643430000
   2 1 1   6 1
            5.90409902187500         0.00011632463870
            0.54673767328125        -0.02920771322000
            0.26299616703125        -0.13810512330000
            0.08443860525000         0.57061348770000
            0.05201424689062         0.47688081400000
            0.03224710967187         0.06021665516000
#
Tc GFN1-GTH-q15 GFN1-xTB-GTH-q15 GFN1-xTB-STO6G-GTH-q15 GFN1-UZH-q15 GFN1-xTB-UZH-q15 GFN1-xTB-STO6G-UZH-q15 GFN1-q15 GFN1-xTB-q15 GFN1-xTB-STO6G-q15
  3
   3 2 2   6 1
           20.83789243399182        -0.00047498428760
            6.03273165706629        -0.00356677789100
            0.99354516820286         0.11086704810000
            0.49527588964586         0.41596469300000
            0.26548236439599         0.46216725170000
            0.14535540122422         0.10812501960000
   1 0 0   6 1
            4.51372547458298         0.00269543958200
            1.62539475649068         0.01850157487000
            0.59150891063961        -0.09588628125000
            0.33964153313294        -0.52006735600000
            0.11746093509563         1.08761949000000
            0.07085451082104         0.31039643430000
   2 1 1   6 1
            5.90409902187500         0.00011632463870
            0.54673767328125        -0.02920771322000
            0.26299616703125        -0.13810512330000
            0.08443860525000         0.57061348770000
            0.05201424689062         0.47688081400000
            0.03224710967187         0.06021665516000
#
Ru GFN1-GTH-q8 GFN1-xTB-GTH-q8 GFN1-xTB-STO6G-GTH-q8 GFN1-UZH-q8 GFN1-xTB-UZH-q8 GFN1-xTB-STO6G-UZH-q8 GFN1-q8 GFN1-xTB-q8 GFN1-xTB-STO6G-q8
  3
   3 2 2   6 1
           25.65105877898163        -0.00047498428760
            7.42618068614277        -0.00356677789100
            1.22303565919035         0.11086704810000
            0.60967542650304         0.41596469300000
            0.32680386250559         0.46216725170000
            0.17892980072029         0.10812501960000
   1 0 0   6 1
            5.00330228180077         0.00269543958200
            1.80169160481081         0.01850157487000
            0.65566634456919        -0.09588628125000
            0.37648041895489        -0.52006735600000
            0.13020122023276         1.08761949000000
            0.07853967585379         0.31039643430000
   2 1 1   6 1
            7.09209821066060         0.00011632463870
            0.65675004094821        -0.02920771322000
            0.31591520377661        -0.13810512330000
            0.10142900364398         0.57061348770000
            0.06248034559297         0.47688081400000
            0.03873574409161         0.06021665516000
#
Ru GFN1-GTH-q16 GFN1-xTB-GTH-q16 GFN1-xTB-STO6G-GTH-q16 GFN1-UZH-q16 GFN1-xTB-UZH-q16 GFN1-xTB-STO6G-UZH-q16 GFN1-q16 GFN1-xTB-q16 GFN1-xTB-STO6G-q16
  3
   3 2 2   6 1
           25.65105877898163        -0.00047498428760
            7.42618068614277        -0.00356677789100
            1.22303565919035         0.11086704810000
            0.60967542650304         0.41596469300000
            0.32680386250559         0.46216725170000
            0.17892980072029         0.10812501960000
   1 0 0   6 1
            5.00330228180077         0.00269543958200
            1.80169160481081         0.01850157487000
            0.65566634456919        -0.09588628125000
            0.37648041895489        -0.52006735600000
            0.13020122023276         1.08761949000000
            0.07853967585379         0.31039643430000
   2 1 1   6 1
            7.09209821066060         0.00011632463870
            0.65675004094821        -0.02920771322000
            0.31591520377661        -0.13810512330000
            0.10142900364398         0.57061348770000
            0.06248034559297         0.47688081400000
            0.03873574409161         0.06021665516000
#
Rh GFN1-GTH-q9 GFN1-xTB-GTH-q9 GFN1-xTB-STO6G-GTH-q9 GFN1-UZH-q9 GFN1-xTB-UZH-q9 GFN1-xTB-STO6G-UZH-q9 GFN1-q9 GFN1-xTB-q9 GFN1-xTB-STO6G-q9
  3
   3 2 2   6 1
           27.50799222183461        -0.00047498428760
            7.96377733615189        -0.00356677789100
            1.31157375178609         0.11086704810000
            0.65381109741292         0.41596469300000
            0.35046187314636         0.46216725170000
            0.19188290077528         0.10812501960000
   1 0 0   6 1
            5.64051319200000         0.00269543958200
            2.03115156600000         0.01850157487000
            0.73917074320000        -0.09588628125000
            0.42442823760000        -0.52006735600000
            0.14678339604000         1.08761949000000
            0.08854233720000         0.31039643430000
   2 1 1   6 1
            8.16522724887660         0.00011632463870
            0.75612508044381        -0.02920771322000
            0.36371738709621        -0.13810512330000
            0.11677656453422         0.57061348770000
            0.07193445510781         0.47688081400000
            0.04459697874557         0.06021665516000
#
Rh GFN1-GTH-q17 GFN1-xTB-GTH-q17 GFN1-xTB-STO6G-GTH-q17 GFN1-UZH-q17 GFN1-xTB-UZH-q17 GFN1-xTB-STO6G-UZH-q17 GFN1-q17 GFN1-xTB-q17 GFN1-xTB-STO6G-q17
  3
   3 2 2   6 1
           27.50799222183461        -0.00047498428760
            7.96377733615189        -0.00356677789100
            1.31157375178609         0.11086704810000
            0.65381109741292         0.41596469300000
            0.35046187314636         0.46216725170000
            0.19188290077528         0.10812501960000
   1 0 0   6 1
            5.64051319200000         0.00269543958200
            2.03115156600000         0.01850157487000
            0.73917074320000        -0.09588628125000
            0.42442823760000        -0.52006735600000
            0.14678339604000         1.08761949000000
            0.08854233720000         0.31039643430000
   2 1 1   6 1
            8.16522724887660         0.00011632463870
            0.75612508044381        -0.02920771322000
            0.36371738709621        -0.13810512330000
            0.11677656453422         0.57061348770000
            0.07193445510781         0.47688081400000
            0.04459697874557         0.06021665516000
#
Pd GFN1-GTH-q10 GFN1-xTB-GTH-q10 GFN1-xTB-STO6G-GTH-q10 GFN1-UZH-q10 GFN1-xTB-UZH-q10 GFN1-xTB-STO6G-UZH-q10 GFN1-q10 GFN1-xTB-q10 GFN1-xTB-STO6G-q10
  3
   3 2 2   6 1
           29.63878025684090        -0.00047498428760
            8.58065701695452        -0.00356677789100
            1.41316915848814         0.11086704810000
            0.70445575560124         0.41596469300000
            0.37760889136579         0.46216725170000
            0.20674628250801         0.10812501960000
   1 0 0   6 1
            6.06105396216498         0.00269543958200
            2.18258850352883         0.01850157487000
            0.79428123103108        -0.09588628125000
            0.45607241107223        -0.52006735600000
            0.15772715245309         1.08761949000000
            0.09514380437343         0.31039643430000
   2 1 1   6 1
            9.07814265603500         0.00011632463870
            0.84066384643725        -0.02920771322000
            0.40438290642725        -0.13810512330000
            0.12983279943240         0.57061348770000
            0.07997710601903         0.47688081400000
            0.04958315583148         0.06021665516000
#
Pd GFN1-GTH-q18 GFN1-xTB-GTH-q18 GFN1-xTB-STO6G-GTH-q18 GFN1-UZH-q18 GFN1-xTB-UZH-q18 GFN1-xTB-STO6G-UZH-q18 GFN1-q18 GFN1-xTB-q18 GFN1-xTB-STO6G-q18
  3
   3 2 2   6 1
           29.63878025684090        -0.00047498428760
            8.58065701695452        -0.00356677789100
            1.41316915848814         0.11086704810000
            0.70445575560124         0.41596469300000
            0.37760889136579         0.46216725170000
            0.20674628250801         0.10812501960000
   1 0 0   6 1
            6.06105396216498         0.00269543958200
            2.18258850352883         0.01850157487000
            0.79428123103108        -0.09588628125000
            0.45607241107223        -0.52006735600000
            0.15772715245309         1.08761949000000
            0.09514380437343         0.31039643430000
   2 1 1   6 1
            9.07814265603500         0.00011632463870
            0.84066384643725        -0.02920771322000
            0.40438290642725        -0.13810512330000
            0.12983279943240         0.57061348770000
            0.07997710601903         0.47688081400000
            0.04958315583148         0.06021665516000
#
Ag GFN1-GTH-q1 GFN1-xTB-GTH-q1 GFN1-xTB-STO6G-GTH-q1 GFN1-UZH-q1 GFN1-xTB-UZH-q1 GFN1-xTB-STO6G-UZH-q1 GFN1-q1 GFN1-xTB-q1 GFN1-xTB-STO6G-q1
  3
   3 2 2   6 1
           34.29425160288705        -0.00047498428760
            9.92845211940181        -0.00356677789100
            1.63514079387416         0.11086704810000
            0.81510719119809         0.41596469300000
            0.43692129756240         0.46216725170000
            0.23922067537361         0.10812501960000
   1 0 0   6 1
            5.61169886052686         0.00269543958200
            2.02077551110877         0.01850157487000
            0.73539471962115        -0.09588628125000
            0.42226006326755        -0.52006735600000
            0.14603355905101         1.08761949000000
            0.08809002228349         0.31039643430000
   2 1 1   6 1
            9.91661918272560         0.00011632463870
            0.91830934384596        -0.02920771322000
            0.44173257008436        -0.13810512330000
            0.14182443239558         0.57061348770000
            0.08736396130544         0.47688081400000
            0.05416276135864         0.06021665516000
#
Ag GFN1-GTH-q11 GFN1-xTB-GTH-q11 GFN1-xTB-STO6G-GTH-q11 GFN1-UZH-q11 GFN1-xTB-UZH-q11 GFN1-xTB-STO6G-UZH-q11 GFN1-q11 GFN1-xTB-q11 GFN1-xTB-STO6G-q11
  3
   3 2 2   6 1
           34.29425160288705        -0.00047498428760
            9.92845211940181        -0.00356677789100
            1.63514079387416         0.11086704810000
            0.81510719119809         0.41596469300000
            0.43692129756240         0.46216725170000
            0.23922067537361         0.10812501960000
   1 0 0   6 1
            5.61169886052686         0.00269543958200
            2.02077551110877         0.01850157487000
            0.73539471962115        -0.09588628125000
            0.42226006326755        -0.52006735600000
            0.14603355905101         1.08761949000000
            0.08809002228349         0.31039643430000
   2 1 1   6 1
            9.91661918272560         0.00011632463870
            0.91830934384596        -0.02920771322000
            0.44173257008436        -0.13810512330000
            0.14182443239558         0.57061348770000
            0.08736396130544         0.47688081400000
            0.05416276135864         0.06021665516000
#
Ag GFN1-GTH-q19 GFN1-xTB-GTH-q19 GFN1-xTB-STO6G-GTH-q19 GFN1-UZH-q19 GFN1-xTB-UZH-q19 GFN1-xTB-STO6G-UZH-q19 GFN1-q19 GFN1-xTB-q19 GFN1-xTB-STO6G-q19
  3
   3 2 2   6 1
           34.29425160288705        -0.00047498428760
            9.92845211940181        -0.00356677789100
            1.63514079387416         0.11086704810000
            0.81510719119809         0.41596469300000
            0.43692129756240         0.46216725170000
            0.23922067537361         0.10812501960000
   1 0 0   6 1
            5.61169886052686         0.00269543958200
            2.02077551110877         0.01850157487000
            0.73539471962115        -0.09588628125000
            0.42226006326755        -0.52006735600000
            0.14603355905101         1.08761949000000
            0.08809002228349         0.31039643430000
   2 1 1   6 1
            9.91661918272560         0.00011632463870
            0.91830934384596        -0.02920771322000
            0.44173257008436        -0.13810512330000
            0.14182443239558         0.57061348770000
            0.08736396130544         0.47688081400000
            0.05416276135864         0.06021665516000
#
Cd GFN1-GTH-q2 GFN1-xTB-GTH-q2 GFN1-xTB-STO6G-GTH-q2 GFN1-UZH-q2 GFN1-xTB-UZH-q2 GFN1-xTB-STO6G-UZH-q2 GFN1-q2 GFN1-xTB-q2 GFN1-xTB-STO6G-q2
  2
   1 0 0   6 1
            5.53115992582559         0.00269543958200
            1.99177340123435         0.01850157487000
            0.72484035653516        -0.09588628125000
            0.41619979943164        -0.52006735600000
            0.14393768976634         1.08761949000000
            0.08682575691059         0.31039643430000
   2 1 1   6 1
            5.36719849283995         0.00011632463870
            0.49701903798389        -0.02920771322000
            0.23908010791874        -0.13810512330000
            0.07676001929442         0.57061348770000
            0.04728423193500         0.47688081400000
            0.02931465712009         0.06021665516000
#
Cd GFN1-GTH-q12 GFN1-xTB-GTH-q12 GFN1-xTB-STO6G-GTH-q12 GFN1-UZH-q12 GFN1-xTB-UZH-q12 GFN1-xTB-STO6G-UZH-q12 GFN1-q12 GFN1-xTB-q12 GFN1-xTB-STO6G-q12
  2
   1 0 0   6 1
            5.53115992582559         0.00269543958200
            1.99177340123435         0.01850157487000
            0.72484035653516        -0.09588628125000
            0.41619979943164        -0.52006735600000
            0.14393768976634         1.08761949000000
            0.08682575691059         0.31039643430000
   2 1 1   6 1
            5.36719849283995         0.00011632463870
            0.49701903798389        -0.02920771322000
            0.23908010791874        -0.13810512330000
            0.07676001929442         0.57061348770000
            0.04728423193500         0.47688081400000
            0.02931465712009         0.06021665516000
#
Cd GFN1-GTH-q20 GFN1-xTB-GTH-q20 GFN1-xTB-STO6G-GTH-q20 GFN1-UZH-q20 GFN1-xTB-UZH-q20 GFN1-xTB-STO6G-UZH-q20 GFN1-q20 GFN1-xTB-q20 GFN1-xTB-STO6G-q20
  2
   1 0 0   6 1
            5.53115992582559         0.00269543958200
            1.99177340123435         0.01850157487000
            0.72484035653516        -0.09588628125000
            0.41619979943164        -0.52006735600000
            0.14393768976634         1.08761949000000
            0.08682575691059         0.31039643430000
   2 1 1   6 1
            5.36719849283995         0.00011632463870
            0.49701903798389        -0.02920771322000
            0.23908010791874        -0.13810512330000
            0.07676001929442         0.57061348770000
            0.04728423193500         0.47688081400000
            0.02931465712009         0.06021665516000
#
In GFN1-GTH-q3 GFN1-xTB-GTH-q3 GFN1-xTB-STO6G-GTH-q3 GFN1-UZH-q3 GFN1-xTB-UZH-q3 GFN1-xTB-STO6G-UZH-q3 GFN1-q3 GFN1-xTB-q3 GFN1-xTB-STO6G-q3
  3
   1 0 0   6 1
            6.98792696773482         0.00269543958200
            2.51635592728319         0.01850157487000
            0.91574489666895        -0.09588628125000
            0.52581625579739        -0.52006735600000
            0.18184722146531         1.08761949000000
            0.10969345604646         0.31039643430000
   2 1 1   6 1
            9.98930235409166         0.00011632463870
            0.92504002838430        -0.02920771322000
            0.44497021826846        -0.13810512330000
            0.14286392471991         0.57061348770000
            0.08800428939043         0.47688081400000
            0.05455974355518         0.06021665516000
   3 2 2   6 1
            0.38781162917295        -0.00409737701900
            0.14996425789582        -0.02508271857000
            0.04046856459082         0.26484585550000
            0.02406238751771         0.50974370540000
            0.01491009408224         0.26544834670000
            0.00926923869461         0.02623132212000
#
In GFN1-GTH-q13 GFN1-xTB-GTH-q13 GFN1-xTB-STO6G-GTH-q13 GFN1-UZH-q13 GFN1-xTB-UZH-q13 GFN1-xTB-STO6G-UZH-q13 GFN1-q13 GFN1-xTB-q13 GFN1-xTB-STO6G-q13
  3
   1 0 0   6 1
            6.98792696773482         0.00269543958200
            2.51635592728319         0.01850157487000
            0.91574489666895        -0.09588628125000
            0.52581625579739        -0.52006735600000
            0.18184722146531         1.08761949000000
            0.10969345604646         0.31039643430000
   2 1 1   6 1
            9.98930235409166         0.00011632463870
            0.92504002838430        -0.02920771322000
            0.44497021826846        -0.13810512330000
            0.14286392471991         0.57061348770000
            0.08800428939043         0.47688081400000
            0.05455974355518         0.06021665516000
   3 2 2   6 1
            0.38781162917295        -0.00409737701900
            0.14996425789582        -0.02508271857000
            0.04046856459082         0.26484585550000
            0.02406238751771         0.50974370540000
            0.01491009408224         0.26544834670000
            0.00926923869461         0.02623132212000
#
In GFN1-GTH-q21 GFN1-xTB-GTH-q21 GFN1-xTB-STO6G-GTH-q21 GFN1-UZH-q21 GFN1-xTB-UZH-q21 GFN1-xTB-STO6G-UZH-q21 GFN1-q21 GFN1-xTB-q21 GFN1-xTB-STO6G-q21
  3
   1 0 0   6 1
            6.98792696773482         0.00269543958200
            2.51635592728319         0.01850157487000
            0.91574489666895        -0.09588628125000
            0.52581625579739        -0.52006735600000
            0.18184722146531         1.08761949000000
            0.10969345604646         0.31039643430000
   2 1 1   6 1
            9.98930235409166         0.00011632463870
            0.92504002838430        -0.02920771322000
            0.44497021826846        -0.13810512330000
            0.14286392471991         0.57061348770000
            0.08800428939043         0.47688081400000
            0.05455974355518         0.06021665516000
   3 2 2   6 1
            0.38781162917295        -0.00409737701900
            0.14996425789582        -0.02508271857000
            0.04046856459082         0.26484585550000
            0.02406238751771         0.50974370540000
            0.01491009408224         0.26544834670000
            0.00926923869461         0.02623132212000
#
Sn GFN1-GTH-q4 GFN1-xTB-GTH-q4 GFN1-xTB-STO6G-GTH-q4 GFN1-UZH-q4 GFN1-xTB-UZH-q4 GFN1-xTB-STO6G-UZH-q4 GFN1-q4 GFN1-xTB-q4 GFN1-xTB-STO6G-q4
  3
   1 0 0   6 1
            8.63132218707010         0.00269543958200
            3.10814335152750         0.01850157487000
            1.13110644699211        -0.09588628125000
            0.64947580819627        -0.52006735600000
            0.22461338885449         1.08761949000000
            0.13549076361586         0.31039643430000
   2 1 1   6 1
           13.55130723525766         0.00011632463870
            1.25489260262631        -0.02920771322000
            0.60363856499205        -0.13810512330000
            0.19380662113218         0.57061348770000
            0.11938503023304         0.47688081400000
            0.07401476313211         0.06021665516000
   3 2 2   6 1
            2.11225869325294        -0.00409737701900
            0.81679682502871        -0.02508271857000
            0.22041648813553         0.26484585550000
            0.13105844021001         0.50974370540000
            0.08120946736332         0.26544834670000
            0.05048592806326         0.02623132212000
#
Sn GFN1-GTH-q14 GFN1-xTB-GTH-q14 GFN1-xTB-STO6G-GTH-q14 GFN1-UZH-q14 GFN1-xTB-UZH-q14 GFN1-xTB-STO6G-UZH-q14 GFN1-q14 GFN1-xTB-q14 GFN1-xTB-STO6G-q14
  3
   1 0 0   6 1
            8.63132218707010         0.00269543958200
            3.10814335152750         0.01850157487000
            1.13110644699211        -0.09588628125000
            0.64947580819627        -0.52006735600000
            0.22461338885449         1.08761949000000
            0.13549076361586         0.31039643430000
   2 1 1   6 1
           13.55130723525766         0.00011632463870
            1.25489260262631        -0.02920771322000
            0.60363856499205        -0.13810512330000
            0.19380662113218         0.57061348770000
            0.11938503023304         0.47688081400000
            0.07401476313211         0.06021665516000
   3 2 2   6 1
            2.11225869325294        -0.00409737701900
            0.81679682502871        -0.02508271857000
            0.22041648813553         0.26484585550000
            0.13105844021001         0.50974370540000
            0.08120946736332         0.26544834670000
            0.05048592806326         0.02623132212000
#
Sn GFN1-GTH-q22 GFN1-xTB-GTH-q22 GFN1-xTB-STO6G-GTH-q22 GFN1-UZH-q22 GFN1-xTB-UZH-q22 GFN1-xTB-STO6G-UZH-q22 GFN1-q22 GFN1-xTB-q22 GFN1-xTB-STO6G-q22
  3
   1 0 0   6 1
            8.63132218707010         0.00269543958200
            3.10814335152750         0.01850157487000
            1.13110644699211        -0.09588628125000
            0.64947580819627        -0.52006735600000
            0.22461338885449         1.08761949000000
            0.13549076361586         0.31039643430000
   2 1 1   6 1
           13.55130723525766         0.00011632463870
            1.25489260262631        -0.02920771322000
            0.60363856499205        -0.13810512330000
            0.19380662113218         0.57061348770000
            0.11938503023304         0.47688081400000
            0.07401476313211         0.06021665516000
   3 2 2   6 1
            2.11225869325294        -0.00409737701900
            0.81679682502871        -0.02508271857000
            0.22041648813553         0.26484585550000
            0.13105844021001         0.50974370540000
            0.08120946736332         0.26544834670000
            0.05048592806326         0.02623132212000
#
Sb GFN1-GTH-q5 GFN1-xTB-GTH-q5 GFN1-xTB-STO6G-GTH-q5 GFN1-UZH-q5 GFN1-xTB-UZH-q5 GFN1-xTB-STO6G-UZH-q5 GFN1-q5 GFN1-xTB-q5 GFN1-xTB-STO6G-q5
  3
   1 0 0   6 1
           10.75492878916799         0.00269543958200
            3.87285513015374         0.01850157487000
            1.40939812310475        -0.09588628125000
            0.80926953206567        -0.52006735600000
            0.27987612440681         1.08761949000000
            0.16882622183441         0.31039643430000
   2 1 1   6 1
           16.29096694503978         0.00011632463870
            1.50859349242489        -0.02920771322000
            0.72567581402414        -0.13810512330000
            0.23298839025504         0.57061348770000
            0.14352103066476         0.47688081400000
            0.08897828369599         0.06021665516000
   3 2 2   6 1
            1.01192746443388        -0.00409737701900
            0.39130582951279        -0.02508271857000
            0.10559572966648         0.26484585550000
            0.06278664422971         0.50974370540000
            0.03890531527198         0.26544834670000
            0.02418647741294         0.02623132212000
#
Sb GFN1-GTH-q15 GFN1-xTB-GTH-q15 GFN1-xTB-STO6G-GTH-q15 GFN1-UZH-q15 GFN1-xTB-UZH-q15 GFN1-xTB-STO6G-UZH-q15 GFN1-q15 GFN1-xTB-q15 GFN1-xTB-STO6G-q15
  3
   1 0 0   6 1
           10.75492878916799         0.00269543958200
            3.87285513015374         0.01850157487000
            1.40939812310475        -0.09588628125000
            0.80926953206567        -0.52006735600000
            0.27987612440681         1.08761949000000
            0.16882622183441         0.31039643430000
   2 1 1   6 1
           16.29096694503978         0.00011632463870
            1.50859349242489        -0.02920771322000
            0.72567581402414        -0.13810512330000
            0.23298839025504         0.57061348770000
            0.14352103066476         0.47688081400000
            0.08897828369599         0.06021665516000
   3 2 2   6 1
            1.01192746443388        -0.00409737701900
            0.39130582951279        -0.02508271857000
            0.10559572966648         0.26484585550000
            0.06278664422971         0.50974370540000
            0.03890531527198         0.26544834670000
            0.02418647741294         0.02623132212000
#
Sb GFN1-GTH-q23 GFN1-xTB-GTH-q23 GFN1-xTB-STO6G-GTH-q23 GFN1-UZH-q23 GFN1-xTB-UZH-q23 GFN1-xTB-STO6G-UZH-q23 GFN1-q23 GFN1-xTB-q23 GFN1-xTB-STO6G-q23
  3
   1 0 0   6 1
           10.75492878916799         0.00269543958200
            3.87285513015374         0.01850157487000
            1.40939812310475        -0.09588628125000
            0.80926953206567        -0.52006735600000
            0.27987612440681         1.08761949000000
            0.16882622183441         0.31039643430000
   2 1 1   6 1
           16.29096694503978         0.00011632463870
            1.50859349242489        -0.02920771322000
            0.72567581402414        -0.13810512330000
            0.23298839025504         0.57061348770000
            0.14352103066476         0.47688081400000
            0.08897828369599         0.06021665516000
   3 2 2   6 1
            1.01192746443388        -0.00409737701900
            0.39130582951279        -0.02508271857000
            0.10559572966648         0.26484585550000
            0.06278664422971         0.50974370540000
            0.03890531527198         0.26544834670000
            0.02418647741294         0.02623132212000
#
Te GFN1-GTH-q6 GFN1-xTB-GTH-q6 GFN1-xTB-STO6G-GTH-q6 GFN1-UZH-q6 GFN1-xTB-UZH-q6 GFN1-xTB-STO6G-UZH-q6 GFN1-q6 GFN1-xTB-q6 GFN1-xTB-STO6G-q6
  3
   1 0 0   6 1
           11.70384502456270         0.00269543958200
            4.21456033177590         0.01850157487000
            1.53375048167135        -0.09588628125000
            0.88067205018934        -0.52006735600000
            0.30456982564419         1.08761949000000
            0.18372189859801         0.31039643430000
   2 1 1   6 1
           19.21205969527124         0.00011632463870
            1.77909563810081        -0.02920771322000
            0.85579493872162        -0.13810512330000
            0.27476495882572         0.57061348770000
            0.16925542958626         0.47688081400000
            0.10493275836340         0.06021665516000
   3 2 2   6 1
            2.62318346598167        -0.00409737701900
            1.01436814218146        -0.02508271857000
            0.27373204293289         0.26484585550000
            0.16275957795056         0.50974370540000
            0.10085286084943         0.26544834670000
            0.06269774255555         0.02623132212000
#
Te GFN1-GTH-q16 GFN1-xTB-GTH-q16 GFN1-xTB-STO6G-GTH-q16 GFN1-UZH-q16 GFN1-xTB-UZH-q16 GFN1-xTB-STO6G-UZH-q16 GFN1-q16 GFN1-xTB-q16 GFN1-xTB-STO6G-q16
  3
   1 0 0   6 1
           11.70384502456270         0.00269543958200
            4.21456033177590         0.01850157487000
            1.53375048167135        -0.09588628125000
            0.88067205018934        -0.52006735600000
            0.30456982564419         1.08761949000000
            0.18372189859801         0.31039643430000
   2 1 1   6 1
           19.21205969527124         0.00011632463870
            1.77909563810081        -0.02920771322000
            0.85579493872162        -0.13810512330000
            0.27476495882572         0.57061348770000
            0.16925542958626         0.47688081400000
            0.10493275836340         0.06021665516000
   3 2 2   6 1
            2.62318346598167        -0.00409737701900
            1.01436814218146        -0.02508271857000
            0.27373204293289         0.26484585550000
            0.16275957795056         0.50974370540000
            0.10085286084943         0.26544834670000
            0.06269774255555         0.02623132212000
#
Te GFN1-GTH-q24 GFN1-xTB-GTH-q24 GFN1-xTB-STO6G-GTH-q24 GFN1-UZH-q24 GFN1-xTB-UZH-q24 GFN1-xTB-STO6G-UZH-q24 GFN1-q24 GFN1-xTB-q24 GFN1-xTB-STO6G-q24
  3
   1 0 0   6 1
           11.70384502456270         0.00269543958200
            4.21456033177590         0.01850157487000
            1.53375048167135        -0.09588628125000
            0.88067205018934        -0.52006735600000
            0.30456982564419         1.08761949000000
            0.18372189859801         0.31039643430000
   2 1 1   6 1
           19.21205969527124         0.00011632463870
            1.77909563810081        -0.02920771322000
            0.85579493872162        -0.13810512330000
            0.27476495882572         0.57061348770000
            0.16925542958626         0.47688081400000
            0.10493275836340         0.06021665516000
   3 2 2   6 1
            2.62318346598167        -0.00409737701900
            1.01436814218146        -0.02508271857000
            0.27373204293289         0.26484585550000
            0.16275957795056         0.50974370540000
            0.10085286084943         0.26544834670000
            0.06269774255555         0.02623132212000
#
I GFN1-GTH-q7 GFN1-xTB-GTH-q7 GFN1-xTB-STO6G-GTH-q7 GFN1-UZH-q7 GFN1-xTB-UZH-q7 GFN1-xTB-STO6G-UZH-q7 GFN1-q7 GFN1-xTB-q7 GFN1-xTB-STO6G-q7
  3
   1 0 0   6 1
           13.70583637918505         0.00269543958200
            4.93547840015786         0.01850157487000
            1.79610487871009        -0.09588628125000
            1.03131466610201        -0.52006735600000
            0.35666776068509         1.08761949000000
            0.21514829324662         0.31039643430000
   2 1 1   6 1
           19.09860127336910         0.00011632463870
            1.76858904033287        -0.02920771322000
            0.85074097028933        -0.13810512330000
            0.27314231143044         0.57061348770000
            0.16825587752137         0.47688081400000
            0.10431306920157         0.06021665516000
   3 2 2   6 1
            2.95974698628373        -0.00409737701900
            1.14451508662597        -0.02508271857000
            0.30885281171773         0.26484585550000
            0.18364219528492         0.50974370540000
            0.11379263205499         0.26544834670000
            0.07074207998872         0.02623132212000
#
I GFN1-GTH-q17 GFN1-xTB-GTH-q17 GFN1-xTB-STO6G-GTH-q17 GFN1-UZH-q17 GFN1-xTB-UZH-q17 GFN1-xTB-STO6G-UZH-q17 GFN1-q17 GFN1-xTB-q17 GFN1-xTB-STO6G-q17
  3
   1 0 0   6 1
           13.70583637918505         0.00269543958200
            4.93547840015786         0.01850157487000
            1.79610487871009        -0.09588628125000
            1.03131466610201        -0.52006735600000
            0.35666776068509         1.08761949000000
            0.21514829324662         0.31039643430000
   2 1 1   6 1
           19.09860127336910         0.00011632463870
            1.76858904033287        -0.02920771322000
            0.85074097028933        -0.13810512330000
            0.27314231143044         0.57061348770000
            0.16825587752137         0.47688081400000
            0.10431306920157         0.06021665516000
   3 2 2   6 1
            2.95974698628373        -0.00409737701900
            1.14451508662597        -0.02508271857000
            0.30885281171773         0.26484585550000
            0.18364219528492         0.50974370540000
            0.11379263205499         0.26544834670000
            0.07074207998872         0.02623132212000
#
I GFN1-GTH-q25 GFN1-xTB-GTH-q25 GFN1-xTB-STO6G-GTH-q25 GFN1-UZH-q25 GFN1-xTB-UZH-q25 GFN1-xTB-STO6G-UZH-q25 GFN1-q25 GFN1-xTB-q25 GFN1-xTB-STO6G-q25
  3
   1 0 0   6 1
           13.70583637918505         0.00269543958200
            4.93547840015786         0.01850157487000
            1.79610487871009        -0.09588628125000
            1.03131466610201        -0.52006735600000
            0.35666776068509         1.08761949000000
            0.21514829324662         0.31039643430000
   2 1 1   6 1
           19.09860127336910         0.00011632463870
            1.76858904033287        -0.02920771322000
            0.85074097028933        -0.13810512330000
            0.27314231143044         0.57061348770000
            0.16825587752137         0.47688081400000
            0.10431306920157         0.06021665516000
   3 2 2   6 1
            2.95974698628373        -0.00409737701900
            1.14451508662597        -0.02508271857000
            0.30885281171773         0.26484585550000
            0.18364219528492         0.50974370540000
            0.11379263205499         0.26544834670000
            0.07074207998872         0.02623132212000
#
Xe GFN1-GTH-q8 GFN1-xTB-GTH-q8 GFN1-xTB-STO6G-GTH-q8 GFN1-UZH-q8 GFN1-xTB-UZH-q8 GFN1-xTB-STO6G-UZH-q8 GFN1-q8 GFN1-xTB-q8 GFN1-xTB-STO6G-q8
  3
   1 0 0   6 1
           13.80185974770514         0.00269543958200
            4.97005646224250         0.01850157487000
            1.80868842603238        -0.09588628125000
            1.03854007763499        -0.52006735600000
            0.35916658227292         1.08761949000000
            0.21665562656633         0.31039643430000
   2 1 1   6 1
           20.27814442591070         0.00011632463870
            1.87781835311472        -0.02920771322000
            0.90328333565567        -0.13810512330000
            0.29001177419924         0.57061348770000
            0.17864747978399         0.47688081400000
            0.11075551829698         0.06021665516000
   3 2 2   6 1
            3.14561894114540        -0.00409737701900
            1.21639057378947        -0.02508271857000
            0.32824875202767         0.26484585550000
            0.19517491547718         0.50974370540000
            0.12093880335508         0.26544834670000
            0.07518467888634         0.02623132212000
#
Xe GFN1-GTH-q18 GFN1-xTB-GTH-q18 GFN1-xTB-STO6G-GTH-q18 GFN1-UZH-q18 GFN1-xTB-UZH-q18 GFN1-xTB-STO6G-UZH-q18 GFN1-q18 GFN1-xTB-q18 GFN1-xTB-STO6G-q18
  3
   1 0 0   6 1
           13.80185974770514         0.00269543958200
            4.97005646224250         0.01850157487000
            1.80868842603238        -0.09588628125000
            1.03854007763499        -0.52006735600000
            0.35916658227292         1.08761949000000
            0.21665562656633         0.31039643430000
   2 1 1   6 1
           20.27814442591070         0.00011632463870
            1.87781835311472        -0.02920771322000
            0.90328333565567        -0.13810512330000
            0.29001177419924         0.57061348770000
            0.17864747978399         0.47688081400000
            0.11075551829698         0.06021665516000
   3 2 2   6 1
            3.14561894114540        -0.00409737701900
            1.21639057378947        -0.02508271857000
            0.32824875202767         0.26484585550000
            0.19517491547718         0.50974370540000
            0.12093880335508         0.26544834670000
            0.07518467888634         0.02623132212000
#
Xe GFN1-GTH-q26 GFN1-xTB-GTH-q26 GFN1-xTB-STO6G-GTH-q26 GFN1-UZH-q26 GFN1-xTB-UZH-q26 GFN1-xTB-STO6G-UZH-q26 GFN1-q26 GFN1-xTB-q26 GFN1-xTB-STO6G-q26
  3
   1 0 0   6 1
           13.80185974770514         0.00269543958200
            4.97005646224250         0.01850157487000
            1.80868842603238        -0.09588628125000
            1.03854007763499        -0.52006735600000
            0.35916658227292         1.08761949000000
            0.21665562656633         0.31039643430000
   2 1 1   6 1
           20.27814442591070         0.00011632463870
            1.87781835311472        -0.02920771322000
            0.90328333565567        -0.13810512330000
            0.29001177419924         0.57061348770000
            0.17864747978399         0.47688081400000
            0.11075551829698         0.06021665516000
   3 2 2   6 1
            3.14561894114540        -0.00409737701900
            1.21639057378947        -0.02508271857000
            0.32824875202767         0.26484585550000
            0.19517491547718         0.50974370540000
            0.12093880335508         0.26544834670000
            0.07518467888634         0.02623132212000
#
Cs GFN1-GTH-q1 GFN1-xTB-GTH-q1 GFN1-xTB-STO6G-GTH-q1 GFN1-UZH-q1 GFN1-xTB-UZH-q1 GFN1-xTB-STO6G-UZH-q1 GFN1-q1 GFN1-xTB-q1 GFN1-xTB-STO6G-q1
  2
   1 0 0   6 1
            0.85765150241921         0.00269543958200
            0.30884072653030         0.01850157487000
            0.11239241481590        -0.09588628125000
            0.06453517672170        -0.52006735600000
            0.02231871389335         1.08761949000000
            0.01346304244709         0.31039643430000
   2 1 1   6 1
            2.48162844583901         0.00011632463870
            0.22980640355109        -0.02920771322000
            0.11054333046130        -0.13810512330000
            0.03549148548136         0.57061348770000
            0.02186278282163         0.47688081400000
            0.01355420096467         0.06021665516000
#
Cs GFN1-GTH-q9 GFN1-xTB-GTH-q9 GFN1-xTB-STO6G-GTH-q9 GFN1-UZH-q9 GFN1-xTB-UZH-q9 GFN1-xTB-STO6G-UZH-q9 GFN1-q9 GFN1-xTB-q9 GFN1-xTB-STO6G-q9
  2
   1 0 0   6 1
            0.85765150241921         0.00269543958200
            0.30884072653030         0.01850157487000
            0.11239241481590        -0.09588628125000
            0.06453517672170        -0.52006735600000
            0.02231871389335         1.08761949000000
            0.01346304244709         0.31039643430000
   2 1 1   6 1
            2.48162844583901         0.00011632463870
            0.22980640355109        -0.02920771322000
            0.11054333046130        -0.13810512330000
            0.03549148548136         0.57061348770000
            0.02186278282163         0.47688081400000
            0.01355420096467         0.06021665516000
#
Ba GFN1-GTH-q2 GFN1-xTB-GTH-q2 GFN1-xTB-STO6G-GTH-q2 GFN1-UZH-q2 GFN1-xTB-UZH-q2 GFN1-xTB-STO6G-UZH-q2 GFN1-q2 GFN1-xTB-q2 GFN1-xTB-STO6G-q2
  3
   1 0 0   6 1
            2.71308578618912         0.00269543958200
            0.97698352184093         0.01850157487000
            0.35554098867938        -0.09588628125000
            0.20414990258742        -0.52006735600000
            0.07060278593258         1.08761949000000
            0.04258884756692         0.31039643430000
   2 1 1   6 1
            1.07208819737848         0.00011632463870
            0.09927865444250        -0.02920771322000
            0.04775581940366        -0.13810512330000
            0.01533267510525         0.57061348770000
            0.00944493985964         0.47688081400000
            0.00585554977156         0.06021665516000
   3 2 2   6 1
            3.37519610344563        -0.00047498428760
            0.97714547891841        -0.00356677789100
            0.16092845238251         0.11086704810000
            0.08022180065276         0.41596469300000
            0.04300123175515         0.46216725170000
            0.02354379097506         0.10812501960000
#
Ba GFN1-GTH-q10 GFN1-xTB-GTH-q10 GFN1-xTB-STO6G-GTH-q10 GFN1-UZH-q10 GFN1-xTB-UZH-q10 GFN1-xTB-STO6G-UZH-q10 GFN1-q10 GFN1-xTB-q10 GFN1-xTB-STO6G-q10
  3
   1 0 0   6 1
            2.71308578618912         0.00269543958200
            0.97698352184093         0.01850157487000
            0.35554098867938        -0.09588628125000
            0.20414990258742        -0.52006735600000
            0.07060278593258         1.08761949000000
            0.04258884756692         0.31039643430000
   2 1 1   6 1
            1.07208819737848         0.00011632463870
            0.09927865444250        -0.02920771322000
            0.04775581940366        -0.13810512330000
            0.01533267510525         0.57061348770000
            0.00944493985964         0.47688081400000
            0.00585554977156         0.06021665516000
   3 2 2   6 1
            3.37519610344563        -0.00047498428760
            0.97714547891841        -0.00356677789100
            0.16092845238251         0.11086704810000
            0.08022180065276         0.41596469300000
            0.04300123175515         0.46216725170000
            0.02354379097506         0.10812501960000
#
La GFN1-GTH-q11 GFN1-xTB-GTH-q11 GFN1-xTB-STO6G-GTH-q11 GFN1-UZH-q11 GFN1-xTB-UZH-q11 GFN1-xTB-STO6G-UZH-q11 GFN1-q11 GFN1-xTB-q11 GFN1-xTB-STO6G-q11
  3
   3 2 2   6 1
            7.93846838520000        -0.00409737701900
            3.06975456810000        -0.02508271857000
            0.82838779560000         0.26484585550000
            0.49255485966000         0.50974370540000
            0.30520825470000         0.26544834670000
            0.18974046366000         0.02623132212000
   1 0 0   6 1
            0.04094124718376         0.30196096126945
            0.06424043878179         1.30476826651687
            0.16380253241486        -0.84237061150133
            0.30565998637877        -0.08693662797569
            0.48857574845712         0.08040482815742
            1.05289035995793         0.01125817732456
   2 1 1   6 1
            0.03347908871803         0.08818658740224
            0.05154689164229         0.58260237820929
            0.07742131554476         0.54658006457823
            0.15992489258996        -0.20802232268177
            0.26034270633595        -0.11173787974342
            1.20851829336184         0.00283906105737
#
Ce GFN1-GTH-q12 GFN1-xTB-GTH-q12 GFN1-xTB-STO6G-GTH-q12 GFN1-UZH-q12 GFN1-xTB-UZH-q12 GFN1-xTB-STO6G-UZH-q12 GFN1-q12 GFN1-xTB-q12 GFN1-xTB-STO6G-q12
  3
   3 2 2   6 1
            7.93846838520000        -0.00409737701900
            3.06975456810000        -0.02508271857000
            0.82838779560000         0.26484585550000
            0.49255485966000         0.50974370540000
            0.30520825470000         0.26544834670000
            0.18974046366000         0.02623132212000
   1 0 0   6 1
            0.04434476895076         0.30196096126945
            0.06958086553367         1.30476826651687
            0.17741974055856        -0.84237061150133
            0.33107006761719        -0.08693662797569
            0.52919195604940         0.08040482815742
            1.14041908721673         0.01125817732456
   2 1 1   6 1
            0.03502714667813         0.08818658740224
            0.05393039665934         0.58260237820929
            0.08100124225126         0.54658006457823
            0.16731974748214        -0.20802232268177
            0.27238083563786        -0.11173787974342
            1.26439963409142         0.00283906105737
#
Ce GFN1-GTH-q30 GFN1-xTB-GTH-q30 GFN1-xTB-STO6G-GTH-q30 GFN1-UZH-q30 GFN1-xTB-UZH-q30 GFN1-xTB-STO6G-UZH-q30 GFN1-q30 GFN1-xTB-q30 GFN1-xTB-STO6G-q30
  3
   3 2 2   6 1
            7.93846838520000        -0.00409737701900
            3.06975456810000        -0.02508271857000
            0.82838779560000         0.26484585550000
            0.49255485966000         0.50974370540000
            0.30520825470000         0.26544834670000
            0.18974046366000         0.02623132212000
   1 0 0   6 1
            0.04434476895076         0.30196096126945
            0.06958086553367         1.30476826651687
            0.17741974055856        -0.84237061150133
            0.33107006761719        -0.08693662797569
            0.52919195604940         0.08040482815742
            1.14041908721673         0.01125817732456
   2 1 1   6 1
            0.03502714667813         0.08818658740224
            0.05393039665934         0.58260237820929
            0.08100124225126         0.54658006457823
            0.16731974748214        -0.20802232268177
            0.27238083563786        -0.11173787974342
            1.26439963409142         0.00283906105737
#
Pr GFN1-GTH-q13 GFN1-xTB-GTH-q13 GFN1-xTB-STO6G-GTH-q13 GFN1-UZH-q13 GFN1-xTB-UZH-q13 GFN1-xTB-STO6G-UZH-q13 GFN1-q13 GFN1-xTB-q13 GFN1-xTB-STO6G-q13
  3
   3 2 2   6 1
            7.89780682883206        -0.00409737701900
            3.05403100628054        -0.02508271857000
            0.82414471804261         0.26484585550000
            0.49003194891468         0.50974370540000
            0.30364495028783         0.26544834670000
            0.18876859576508         0.02623132212000
   1 0 0   6 1
            0.04580417630421         0.30196096126945
            0.07187080478067         1.30476826651687
            0.18325870826874        -0.84237061150133
            0.34196574037908        -0.08693662797569
            0.54660791401516         0.08040482815742
            1.17795081962361         0.01125817732456
   2 1 1   6 1
            0.03526910003428         0.08818658740224
            0.05430292601749         0.58260237820929
            0.08156076605702         0.54658006457823
            0.16847552459481        -0.20802232268177
            0.27426233223642        -0.11173787974342
            1.27313359514704         0.00283906105737
#
Nd GFN1-GTH-q14 GFN1-xTB-GTH-q14 GFN1-xTB-STO6G-GTH-q14 GFN1-UZH-q14 GFN1-xTB-UZH-q14 GFN1-xTB-STO6G-UZH-q14 GFN1-q14 GFN1-xTB-q14 GFN1-xTB-STO6G-q14
  3
   3 2 2   6 1
            7.85724967611139        -0.00409737701900
            3.03834781667868        -0.02508271857000
            0.81991253511917         0.26484585550000
            0.48751551605923         0.50974370540000
            0.30208565985587         0.26544834670000
            0.18779922326291         0.02623132212000
   1 0 0   6 1
            0.04728727028058         0.30196096126945
            0.07419791043451         1.30476826651687
            0.18919244419155        -0.84237061150133
            0.35303825320658        -0.08693662797569
            0.56430653824821         0.08040482815742
            1.21609170340334         0.01125817732456
   2 1 1   6 1
            0.03551188617457         0.08818658740224
            0.05467673759197         0.58260237820929
            0.08212221569909         0.54658006457823
            0.16963527980008        -0.20802232268177
            0.27615030479616        -0.11173787974342
            1.28189761779978         0.00283906105737
#
Pm GFN1-GTH-q15 GFN1-xTB-GTH-q15 GFN1-xTB-STO6G-GTH-q15 GFN1-UZH-q15 GFN1-xTB-UZH-q15 GFN1-xTB-STO6G-UZH-q15 GFN1-q15 GFN1-xTB-q15 GFN1-xTB-STO6G-q15
  3
   3 2 2   6 1
            7.81680217863734        -0.00409737701900
            3.02270703005407        -0.02508271857000
            0.81569179483978         0.26484585550000
            0.48500588693743         0.50974370540000
            0.30053058531100         0.26544834670000
            0.18683247167404         0.02623132212000
   1 0 0   6 1
            0.04879393390279         0.30196096126945
            0.07656199894780         1.30476826651687
            0.19522048031137        -0.84237061150133
            0.36428673276981        -0.08693662797569
            0.58228643279285         0.08040482815742
            1.25483873024390         0.01125817732456
   2 1 1   6 1
            0.03575550509901         0.08818658740224
            0.05505183138278         0.58260237820929
            0.08268559117746         0.54658006457823
            0.17079901309797        -0.20802232268177
            0.27804475331707        -0.11173787974342
            1.29069170204966         0.00283906105737
#
Sm GFN1-GTH-q16 GFN1-xTB-GTH-q16 GFN1-xTB-STO6G-GTH-q16 GFN1-UZH-q16 GFN1-xTB-UZH-q16 GFN1-xTB-STO6G-UZH-q16 GFN1-q16 GFN1-xTB-q16 GFN1-xTB-STO6G-q16
  3
   3 2 2   6 1
            7.77645381963992        -0.00409737701900
            3.00710457963951        -0.02508271857000
            0.81148139976808         0.26484585550000
            0.48250240901964         0.50974370540000
            0.29897932231768         0.26544834670000
            0.18586808963300         0.02623132212000
   1 0 0   6 1
            0.05032428601161         0.30196096126945
            0.07896325679225         1.30476826651687
            0.20134329210035        -0.84237061150133
            0.37571206631277        -0.08693662797569
            0.60054901584554         0.08040482815742
            1.29419495638657         0.01125817732456
   2 1 1   6 1
            0.03599995680760         0.08818658740224
            0.05542820738992         0.58260237820929
            0.08325089249212         0.54658006457823
            0.17196672448846        -0.20802232268177
            0.27994567779917        -0.11173787974342
            1.29951584789667         0.00283906105737
#
Eu GFN1-GTH-q17 GFN1-xTB-GTH-q17 GFN1-xTB-STO6G-GTH-q17 GFN1-UZH-q17 GFN1-xTB-UZH-q17 GFN1-xTB-STO6G-UZH-q17 GFN1-q17 GFN1-xTB-q17 GFN1-xTB-STO6G-q17
  3
   3 2 2   6 1
            7.73620986428976        -0.00409737701900
            2.99154250144255        -0.02508271857000
            0.80728189933032         0.26484585550000
            0.48000540899169         0.50974370540000
            0.29743207330457         0.26544834670000
            0.18490620298470         0.02623132212000
   1 0 0   6 1
            0.05187820590256         0.30196096126945
            0.08140149457183         1.30476826651687
            0.20756039662979        -0.84237061150133
            0.38731335267732        -0.08693662797569
            0.61909284696906         0.08040482815742
            1.33415727766081         0.01125817732456
   2 1 1   6 1
            0.03624524130034         0.08818658740224
            0.05580586561339         0.58260237820929
            0.08381811964309         0.54658006457823
            0.17313841397157        -0.20802232268177
            0.28185307824245        -0.11173787974342
            1.30837005534082         0.00283906105737
#
Gd GFN1-GTH-q18 GFN1-xTB-GTH-q18 GFN1-xTB-STO6G-GTH-q18 GFN1-UZH-q18 GFN1-xTB-UZH-q18 GFN1-xTB-STO6G-UZH-q18 GFN1-q18 GFN1-xTB-q18 GFN1-xTB-STO6G-q18
  3
   3 2 2   6 1
            7.69607031258685        -0.00409737701900
            2.97602079546319        -0.02508271857000
            0.80309329352652         0.26484585550000
            0.47751488685361         0.50974370540000
            0.29588883827166         0.26544834670000
            0.18394681172915         0.02623132212000
   1 0 0   6 1
            0.05345581614385         0.30196096126945
            0.08387690460689         1.30476826651687
            0.21387228428496        -0.84237061150133
            0.39909150693575        -0.08693662797569
            0.63791938884138         0.08040482815742
            1.37472884616643         0.01125817732456
   2 1 1   6 1
            0.03649135857722         0.08818658740224
            0.05618480605319         0.58260237820929
            0.08438727263035         0.54658006457823
            0.17431408154729        -0.20802232268177
            0.28376695464691        -0.11173787974342
            1.31725432438209         0.00283906105737
#
Tb GFN1-GTH-q19 GFN1-xTB-GTH-q19 GFN1-xTB-STO6G-GTH-q19 GFN1-UZH-q19 GFN1-xTB-UZH-q19 GFN1-xTB-STO6G-UZH-q19 GFN1-q19 GFN1-xTB-q19 GFN1-xTB-STO6G-q19
  3
   3 2 2   6 1
            7.65603516453120        -0.00409737701900
            2.96053946170144        -0.02508271857000
            0.79891558235667         0.26484585550000
            0.47503084260538         0.50974370540000
            0.29434961721895         0.26544834670000
            0.18298991586635         0.02623132212000
   1 0 0   6 1
            0.05505705591730         0.30196096126945
            0.08638939146836         1.30476826651687
            0.22027871173739        -0.84237061150133
            0.41104607503051        -0.08693662797569
            0.65702791568382         0.08040482815742
            1.41590809783607         0.01125817732456
   2 1 1   6 1
            0.03673830863825         0.08818658740224
            0.05656502870932         0.58260237820929
            0.08495835145391         0.54658006457823
            0.17549372721561        -0.20802232268177
            0.28568730701254        -0.11173787974342
            1.32616865502049         0.00283906105737
#
Dy GFN1-GTH-q20 GFN1-xTB-GTH-q20 GFN1-xTB-STO6G-GTH-q20 GFN1-UZH-q20 GFN1-xTB-UZH-q20 GFN1-xTB-STO6G-UZH-q20 GFN1-q20 GFN1-xTB-q20 GFN1-xTB-STO6G-q20
  3
   3 2 2   6 1
            7.61610442012281        -0.00409737701900
            2.94509850015729        -0.02508271857000
            0.79474876582078         0.26484585550000
            0.47255327624700         0.50974370540000
            0.29281441014646         0.26544834670000
            0.18203551539630         0.02623132212000
   1 0 0   6 1
            0.05668186067729         0.30196096126945
            0.08893885387843         1.30476826651687
            0.22677942074537        -0.84237061150133
            0.42317657507551        -0.08693662797569
            0.67641765723575         0.08040482815742
            1.45769337274292         0.01125817732456
   2 1 1   6 1
            0.03698609148344         0.08818658740224
            0.05694653358178         0.58260237820929
            0.08553135611377         0.54658006457823
            0.17667735097655        -0.20802232268177
            0.28761413533936        -0.11173787974342
            1.33511304725603         0.00283906105737
#
Ho GFN1-GTH-q21 GFN1-xTB-GTH-q21 GFN1-xTB-STO6G-GTH-q21 GFN1-UZH-q21 GFN1-xTB-UZH-q21 GFN1-xTB-STO6G-UZH-q21 GFN1-q21 GFN1-xTB-q21 GFN1-xTB-STO6G-q21
  3
   3 2 2   6 1
            7.57628324953529        -0.00409737701900
            2.92969991010357        -0.02508271857000
            0.79059338343206         0.26484585550000
            0.47008250857010         0.50974370540000
            0.29128341583050         0.26544834670000
            0.18108373389335         0.02623132212000
   1 0 0   6 1
            0.05833035858320         0.30196096126945
            0.09152549293051         1.30476826651687
            0.23337492406398        -0.84237061150133
            0.43548396388573        -0.08693662797569
            0.69609014289782         0.08040482815742
            1.50008796677551         0.01125817732456
   2 1 1   6 1
            0.03723470711276         0.08818658740224
            0.05732932067056         0.58260237820929
            0.08610628660993         0.54658006457823
            0.17786495283010        -0.20802232268177
            0.28954743962737        -0.11173787974342
            1.34408750108870         0.00283906105737
#
Er GFN1-GTH-q22 GFN1-xTB-GTH-q22 GFN1-xTB-STO6G-GTH-q22 GFN1-UZH-q22 GFN1-xTB-UZH-q22 GFN1-xTB-STO6G-UZH-q22 GFN1-q22 GFN1-xTB-q22 GFN1-xTB-STO6G-q22
  3
   3 2 2   6 1
            7.53656129885016        -0.00409737701900
            2.91433968774672        -0.02508271857000
            0.78644835474790         0.26484585550000
            0.46761789714939         0.50974370540000
            0.28975623619665         0.26544834670000
            0.18013432388442         0.02623132212000
   1 0 0   6 1
            0.06000241961193         0.30196096126945
            0.09414910460686         1.30476826651687
            0.24006470148159        -0.84237061150133
            0.44796727073207        -0.08693662797569
            0.71604382102863         0.08040482815742
            1.54308853611604         0.01125817732456
   2 1 1   6 1
            0.03748415552624         0.08818658740224
            0.05771338997568         0.58260237820929
            0.08668314294239         0.54658006457823
            0.17905653277626        -0.20802232268177
            0.29148721987655        -0.11173787974342
            1.35309201651850         0.00283906105737
#
Tm GFN1-GTH-q23 GFN1-xTB-GTH-q23 GFN1-xTB-STO6G-GTH-q23 GFN1-UZH-q23 GFN1-xTB-UZH-q23 GFN1-xTB-STO6G-UZH-q23 GFN1-q23 GFN1-xTB-q23 GFN1-xTB-STO6G-q23
  3
   3 2 2   6 1
            7.49694375181228        -0.00409737701900
            2.89901983760746        -0.02508271857000
            0.78231422069769         0.26484585550000
            0.46515976361853         0.50974370540000
            0.28823307054300         0.26544834670000
            0.17918740926824         0.02623132212000
   1 0 0   6 1
            0.06169817565030         0.30196096126945
            0.09680989584956         1.30476826651687
            0.24684928066638        -0.84237061150133
            0.46062748025775        -0.08693662797569
            0.73628026551034         0.08040482815742
            1.58669847251158         0.01125817732456
   2 1 1   6 1
            0.03773443672387         0.08818658740224
            0.05809874149712         0.58260237820929
            0.08726192511115         0.54658006457823
            0.18025209081503        -0.20802232268177
            0.29343347608691        -0.11173787974342
            1.36212659354544         0.00283906105737
#
Yb GFN1-GTH-q24 GFN1-xTB-GTH-q24 GFN1-xTB-STO6G-GTH-q24 GFN1-UZH-q24 GFN1-xTB-UZH-q24 GFN1-xTB-STO6G-UZH-q24 GFN1-q24 GFN1-xTB-q24 GFN1-xTB-STO6G-q24
  3
   3 2 2   6 1
            7.45743060842165        -0.00409737701900
            2.88374035968582        -0.02508271857000
            0.77819098128143         0.26484585550000
            0.46270810797753         0.50974370540000
            0.28671391886955         0.26544834670000
            0.17824299004480         0.02623132212000
   1 0 0   6 1
            0.06341749294777         0.30196096126945
            0.09950765679219         1.30476826651687
            0.25372812649361        -0.84237061150133
            0.47346359390542        -0.08693662797569
            0.75679788022003         0.08040482815742
            1.63091433628579         0.01125817732456
   2 1 1   6 1
            0.03798555070564         0.08818658740224
            0.05848537523490         0.58260237820929
            0.08784263311621         0.54658006457823
            0.18145162694641        -0.20802232268177
            0.29538620825845        -0.11173787974342
            1.37119123216950         0.00283906105737
#
Lu GFN1-GTH-q25 GFN1-xTB-GTH-q25 GFN1-xTB-STO6G-GTH-q25 GFN1-UZH-q25 GFN1-xTB-UZH-q25 GFN1-xTB-STO6G-UZH-q25 GFN1-q25 GFN1-xTB-q25 GFN1-xTB-STO6G-q25
  3
   3 2 2   6 1
            7.41802186867828        -0.00409737701900
            2.86850125398177        -0.02508271857000
            0.77407863649912         0.26484585550000
            0.46026293022638         0.50974370540000
            0.28519878117631         0.26544834670000
            0.17730106621412         0.02623132212000
   1 0 0   6 1
            0.06516050711860         0.30196096126945
            0.10224260022550         1.30476826651687
            0.26070178154458        -0.84237061150133
            0.48647662414656        -0.08693662797569
            0.77759828352138         0.08040482815742
            1.67573961504427         0.01125817732456
   2 1 1   6 1
            0.03823749747156         0.08818658740224
            0.05887329118900         0.58260237820929
            0.08842526695756         0.54658006457823
            0.18265514117040        -0.20802232268177
            0.29734541639118        -0.11173787974342
            1.38028593239070         0.00283906105737
#
Hf GFN1-GTH-q12 GFN1-xTB-GTH-q12 GFN1-xTB-STO6G-GTH-q12 GFN1-UZH-q12 GFN1-xTB-UZH-q12 GFN1-xTB-STO6G-UZH-q12 GFN1-q12 GFN1-xTB-q12 GFN1-xTB-STO6G-q12
  3
   3 2 2   6 1
            5.36691124049792        -0.00409737701900
            2.07534999167105        -0.02508271857000
            0.56004301534860         0.26484585550000
            0.33299851868145         0.50974370540000
            0.20634025776257         0.26544834670000
            0.12827666216983         0.02623132212000
   1 0 0   6 1
            0.07642403386568         0.30196096126945
            0.11991607014242         1.30476826651687
            0.30576621733995        -0.84237061150133
            0.57056808859654        -0.08693662797569
            0.91201250852101         0.08040482815742
            1.96540491707830         0.01125817732456
   2 1 1   6 1
            0.03862265241682         0.08818658740224
            0.05946630435003         0.58260237820929
            0.08931594838566         0.54658006457823
            0.18449497210995        -0.20802232268177
            0.30034048837933        -0.11173787974342
            1.39418914227340         0.00283906105737
#
Ta GFN1-GTH-q5 GFN1-xTB-GTH-q5 GFN1-xTB-STO6G-GTH-q5 GFN1-UZH-q5 GFN1-xTB-UZH-q5 GFN1-xTB-STO6G-UZH-q5 GFN1-q5 GFN1-xTB-q5 GFN1-xTB-STO6G-q5
  3
   3 2 2   6 1
            4.18159074892058        -0.00409737701900
            1.61699419592766        -0.02508271857000
            0.43635353502921         0.26484585550000
            0.25945342911865         0.50974370540000
            0.16076854531878         0.26544834670000
            0.09994584963212         0.02623132212000
   1 0 0   6 1
            0.05266527055000         0.30196096126945
            0.08263646863293         1.30476826651687
            0.21070937696852        -0.84237061150133
            0.39318943574670        -0.08693662797569
            0.62848534782477         0.08040482815742
            1.35439830198119         0.01125817732456
   2 1 1   6 1
            0.03600494589155         0.08818658740224
            0.05543588895413         0.58260237820929
            0.08326242988628         0.54658006457823
            0.17199055663996        -0.20802232268177
            0.27998447430368        -0.11173787974342
            1.29969594238091         0.00283906105737
#
Ta GFN1-GTH-q13 GFN1-xTB-GTH-q13 GFN1-xTB-STO6G-GTH-q13 GFN1-UZH-q13 GFN1-xTB-UZH-q13 GFN1-xTB-STO6G-UZH-q13 GFN1-q13 GFN1-xTB-q13 GFN1-xTB-STO6G-q13
  3
   3 2 2   6 1
            4.18159074892058        -0.00409737701900
            1.61699419592766        -0.02508271857000
            0.43635353502921         0.26484585550000
            0.25945342911865         0.50974370540000
            0.16076854531878         0.26544834670000
            0.09994584963212         0.02623132212000
   1 0 0   6 1
            0.05266527055000         0.30196096126945
            0.08263646863293         1.30476826651687
            0.21070937696852        -0.84237061150133
            0.39318943574670        -0.08693662797569
            0.62848534782477         0.08040482815742
            1.35439830198119         0.01125817732456
   2 1 1   6 1
            0.03600494589155         0.08818658740224
            0.05543588895413         0.58260237820929
            0.08326242988628         0.54658006457823
            0.17199055663996        -0.20802232268177
            0.27998447430368        -0.11173787974342
            1.29969594238091         0.00283906105737
#
W GFN1-GTH-q6 GFN1-xTB-GTH-q6 GFN1-xTB-STO6G-GTH-q6 GFN1-UZH-q6 GFN1-xTB-UZH-q6 GFN1-xTB-STO6G-UZH-q6 GFN1-q6 GFN1-xTB-q6 GFN1-xTB-STO6G-q6
  3
   3 2 2   6 1
            4.66910699964241        -0.00409737701900
            1.80551358846772        -0.02508271857000
            0.48722638513813         0.26484585550000
            0.28970214799041         0.50974370540000
            0.17951195737268         0.26544834670000
            0.11159816780803         0.02623132212000
   1 0 0   6 1
            0.08072672429194         0.30196096126945
            0.12666737206744         1.30476826651687
            0.32298092467054        -0.84237061150133
            0.60269120128967        -0.08693662797569
            0.96335901943582         0.08040482815742
            2.07605765932022         0.01125817732456
   2 1 1   6 1
            0.03600494589155         0.08818658740224
            0.05543588895413         0.58260237820929
            0.08326242988628         0.54658006457823
            0.17199055663996        -0.20802232268177
            0.27998447430368        -0.11173787974342
            1.29969594238091         0.00283906105737
#
W GFN1-GTH-q14 GFN1-xTB-GTH-q14 GFN1-xTB-STO6G-GTH-q14 GFN1-UZH-q14 GFN1-xTB-UZH-q14 GFN1-xTB-STO6G-UZH-q14 GFN1-q14 GFN1-xTB-q14 GFN1-xTB-STO6G-q14
  3
   3 2 2   6 1
            4.66910699964241        -0.00409737701900
            1.80551358846772        -0.02508271857000
            0.48722638513813         0.26484585550000
            0.28970214799041         0.50974370540000
            0.17951195737268         0.26544834670000
            0.11159816780803         0.02623132212000
   1 0 0   6 1
            0.08072672429194         0.30196096126945
            0.12666737206744         1.30476826651687
            0.32298092467054        -0.84237061150133
            0.60269120128967        -0.08693662797569
            0.96335901943582         0.08040482815742
            2.07605765932022         0.01125817732456
   2 1 1   6 1
            0.03600494589155         0.08818658740224
            0.05543588895413         0.58260237820929
            0.08326242988628         0.54658006457823
            0.17199055663996        -0.20802232268177
            0.27998447430368        -0.11173787974342
            1.29969594238091         0.00283906105737
#
Re GFN1-GTH-q7 GFN1-xTB-GTH-q7 GFN1-xTB-STO6G-GTH-q7 GFN1-UZH-q7 GFN1-xTB-UZH-q7 GFN1-xTB-STO6G-UZH-q7 GFN1-q7 GFN1-xTB-q7 GFN1-xTB-STO6G-q7
  3
   3 2 2   6 1
            5.38471928492001        -0.00409737701900
            2.08223624769187        -0.02508271857000
            0.56190130412005         0.26484585550000
            0.33410344703734         0.50974370540000
            0.20702491907177         0.26544834670000
            0.12870229926272         0.02623132212000
   1 0 0   6 1
            0.09060448938836         0.30196096126945
            0.14216645936026         1.30476826651687
            0.36250104310102        -0.84237061150133
            0.67643681854639        -0.08693662797569
            1.08123614353536         0.08040482815742
            2.33008518323213         0.01125817732456
   2 1 1   6 1
            0.03862265241682         0.08818658740224
            0.05946630435003         0.58260237820929
            0.08931594838566         0.54658006457823
            0.18449497210995        -0.20802232268177
            0.30034048837933        -0.11173787974342
            1.39418914227340         0.00283906105737
#
Re GFN1-GTH-q15 GFN1-xTB-GTH-q15 GFN1-xTB-STO6G-GTH-q15 GFN1-UZH-q15 GFN1-xTB-UZH-q15 GFN1-xTB-STO6G-UZH-q15 GFN1-q15 GFN1-xTB-q15 GFN1-xTB-STO6G-q15
  3
   3 2 2   6 1
            5.38471928492001        -0.00409737701900
            2.08223624769187        -0.02508271857000
            0.56190130412005         0.26484585550000
            0.33410344703734         0.50974370540000
            0.20702491907177         0.26544834670000
            0.12870229926272         0.02623132212000
   1 0 0   6 1
            0.09060448938836         0.30196096126945
            0.14216645936026         1.30476826651687
            0.36250104310102        -0.84237061150133
            0.67643681854639        -0.08693662797569
            1.08123614353536         0.08040482815742
            2.33008518323213         0.01125817732456
   2 1 1   6 1
            0.03862265241682         0.08818658740224
            0.05946630435003         0.58260237820929
            0.08931594838566         0.54658006457823
            0.18449497210995        -0.20802232268177
            0.30034048837933        -0.11173787974342
            1.39418914227340         0.00283906105737
#
Os GFN1-GTH-q8 GFN1-xTB-GTH-q8 GFN1-xTB-STO6G-GTH-q8 GFN1-UZH-q8 GFN1-xTB-UZH-q8 GFN1-xTB-STO6G-UZH-q8 GFN1-q8 GFN1-xTB-q8 GFN1-xTB-STO6G-q8
  3
   3 2 2   6 1
            6.59476374179058        -0.00409737701900
            2.55015264148991        -0.02508271857000
            0.68817075706312         0.26484585550000
            0.40918257423364         0.50974370540000
            0.25354718745788         0.26544834670000
            0.15762404904557         0.02623132212000
   1 0 0   6 1
            0.10284901265550         0.30196096126945
            0.16137919960298         1.30476826651687
            0.41149036456372        -0.84237061150133
            0.76785222653942        -0.08693662797569
            1.22735717138020         0.08040482815742
            2.64497887595188         0.01125817732456
   2 1 1   6 1
            0.05001197203558         0.08818658740224
            0.07700214677429         0.58260237820929
            0.11565406396193         0.54658006457823
            0.23890014818994        -0.20802232268177
            0.38890700576111        -0.11173787974342
            1.80531745057757         0.00283906105737
#
Os GFN1-GTH-q16 GFN1-xTB-GTH-q16 GFN1-xTB-STO6G-GTH-q16 GFN1-UZH-q16 GFN1-xTB-UZH-q16 GFN1-xTB-STO6G-UZH-q16 GFN1-q16 GFN1-xTB-q16 GFN1-xTB-STO6G-q16
  3
   3 2 2   6 1
            6.59476374179058        -0.00409737701900
            2.55015264148991        -0.02508271857000
            0.68817075706312         0.26484585550000
            0.40918257423364         0.50974370540000
            0.25354718745788         0.26544834670000
            0.15762404904557         0.02623132212000
   1 0 0   6 1
            0.10284901265550         0.30196096126945
            0.16137919960298         1.30476826651687
            0.41149036456372        -0.84237061150133
            0.76785222653942        -0.08693662797569
            1.22735717138020         0.08040482815742
            2.64497887595188         0.01125817732456
   2 1 1   6 1
            0.05001197203558         0.08818658740224
            0.07700214677429         0.58260237820929
            0.11565406396193         0.54658006457823
            0.23890014818994        -0.20802232268177
            0.38890700576111        -0.11173787974342
            1.80531745057757         0.00283906105737
#
Ir GFN1-GTH-q9 GFN1-xTB-GTH-q9 GFN1-xTB-STO6G-GTH-q9 GFN1-UZH-q9 GFN1-xTB-UZH-q9 GFN1-xTB-STO6G-UZH-q9 GFN1-q9 GFN1-xTB-q9 GFN1-xTB-STO6G-q9
  3
   3 2 2   6 1
            6.90298428048396        -0.00409737701900
            2.66933953759195        -0.02508271857000
            0.72033390494223         0.26484585550000
            0.42830660632823         0.50974370540000
            0.26539726333053         0.26544834670000
            0.16499094969737         0.02623132212000
   1 0 0   6 1
            0.09504404013293         0.30196096126945
            0.14913250723234         1.30476826651687
            0.38026331720761        -0.84237061150133
            0.70958170575562        -0.08693662797569
            1.13421588834144         0.08040482815742
            2.44425757667471         0.01125817732456
   2 1 1   6 1
            0.05001197203558         0.08818658740224
            0.07700214677429         0.58260237820929
            0.11565406396193         0.54658006457823
            0.23890014818994        -0.20802232268177
            0.38890700576111        -0.11173787974342
            1.80531745057757         0.00283906105737
#
Ir GFN1-GTH-q17 GFN1-xTB-GTH-q17 GFN1-xTB-STO6G-GTH-q17 GFN1-UZH-q17 GFN1-xTB-UZH-q17 GFN1-xTB-STO6G-UZH-q17 GFN1-q17 GFN1-xTB-q17 GFN1-xTB-STO6G-q17
  3
   3 2 2   6 1
            6.90298428048396        -0.00409737701900
            2.66933953759195        -0.02508271857000
            0.72033390494223         0.26484585550000
            0.42830660632823         0.50974370540000
            0.26539726333053         0.26544834670000
            0.16499094969737         0.02623132212000
   1 0 0   6 1
            0.09504404013293         0.30196096126945
            0.14913250723234         1.30476826651687
            0.38026331720761        -0.84237061150133
            0.70958170575562        -0.08693662797569
            1.13421588834144         0.08040482815742
            2.44425757667471         0.01125817732456
   2 1 1   6 1
            0.05001197203558         0.08818658740224
            0.07700214677429         0.58260237820929
            0.11565406396193         0.54658006457823
            0.23890014818994        -0.20802232268177
            0.38890700576111        -0.11173787974342
            1.80531745057757         0.00283906105737
#
Pt GFN1-GTH-q10 GFN1-xTB-GTH-q10 GFN1-xTB-STO6G-GTH-q10 GFN1-UZH-q10 GFN1-xTB-UZH-q10 GFN1-xTB-STO6G-UZH-q10 GFN1-q10 GFN1-xTB-q10 GFN1-xTB-STO6G-q10
  3
   3 2 2   6 1
            6.95024440538991        -0.00409737701900
            2.68761472334309        -0.02508271857000
            0.72526555029130         0.26484585550000
            0.43123893572239         0.50974370540000
            0.26721426121218         0.26544834670000
            0.16612053258127         0.02623132212000
   1 0 0   6 1
            0.10073746118365         0.30196096126945
            0.15806598854096         1.30476826651687
            0.40304222235494        -0.84237061150133
            0.75208776310657        -0.08693662797569
            1.20215879781493         0.08040482815742
            2.59067588466082         0.01125817732456
   2 1 1   6 1
            0.05001197203558         0.08818658740224
            0.07700214677429         0.58260237820929
            0.11565406396193         0.54658006457823
            0.23890014818994        -0.20802232268177
            0.38890700576111        -0.11173787974342
            1.80531745057757         0.00283906105737
#
Pt GFN1-GTH-q18 GFN1-xTB-GTH-q18 GFN1-xTB-STO6G-GTH-q18 GFN1-UZH-q18 GFN1-xTB-UZH-q18 GFN1-xTB-STO6G-UZH-q18 GFN1-q18 GFN1-xTB-q18 GFN1-xTB-STO6G-q18
  3
   3 2 2   6 1
            6.95024440538991        -0.00409737701900
            2.68761472334309        -0.02508271857000
            0.72526555029130         0.26484585550000
            0.43123893572239         0.50974370540000
            0.26721426121218         0.26544834670000
            0.16612053258127         0.02623132212000
   1 0 0   6 1
            0.10073746118365         0.30196096126945
            0.15806598854096         1.30476826651687
            0.40304222235494        -0.84237061150133
            0.75208776310657        -0.08693662797569
            1.20215879781493         0.08040482815742
            2.59067588466082         0.01125817732456
   2 1 1   6 1
            0.05001197203558         0.08818658740224
            0.07700214677429         0.58260237820929
            0.11565406396193         0.54658006457823
            0.23890014818994        -0.20802232268177
            0.38890700576111        -0.11173787974342
            1.80531745057757         0.00283906105737
#
Au GFN1-GTH-q1 GFN1-xTB-GTH-q1 GFN1-xTB-STO6G-GTH-q1 GFN1-UZH-q1 GFN1-xTB-UZH-q1 GFN1-xTB-STO6G-UZH-q1 GFN1-q1 GFN1-xTB-q1 GFN1-xTB-STO6G-q1
  3
   3 2 2   6 1
            8.57377435979107        -0.00409737701900
            3.31542329448531        -0.02508271857000
            0.89468266386504         0.26484585550000
            0.53197342631188         0.50974370540000
            0.32963370030194         0.26544834670000
            0.20492516231165         0.02623132212000
   1 0 0   6 1
            0.09933899373080         0.30196096126945
            0.15587166938919         1.30476826651687
            0.39744707012992        -0.84237061150133
            0.74164705667991        -0.08693662797569
            1.18547007117700         0.08040482815742
            2.55471135008755         0.01125817732456
   2 1 1   6 1
            0.05625772795554         0.08818658740224
            0.08661857649082         0.58260237820929
            0.13009754669731         0.54658006457823
            0.26873524474993        -0.20802232268177
            0.43747574109950        -0.11173787974342
            2.03077490997018         0.00283906105737
#
Au GFN1-GTH-q11 GFN1-xTB-GTH-q11 GFN1-xTB-STO6G-GTH-q11 GFN1-UZH-q11 GFN1-xTB-UZH-q11 GFN1-xTB-STO6G-UZH-q11 GFN1-q11 GFN1-xTB-q11 GFN1-xTB-STO6G-q11
  3
   3 2 2   6 1
            8.57377435979107        -0.00409737701900
            3.31542329448531        -0.02508271857000
            0.89468266386504         0.26484585550000
            0.53197342631188         0.50974370540000
            0.32963370030194         0.26544834670000
            0.20492516231165         0.02623132212000
   1 0 0   6 1
            0.09933899373080         0.30196096126945
            0.15587166938919         1.30476826651687
            0.39744707012992        -0.84237061150133
            0.74164705667991        -0.08693662797569
            1.18547007117700         0.08040482815742
            2.55471135008755         0.01125817732456
   2 1 1   6 1
            0.05625772795554         0.08818658740224
            0.08661857649082         0.58260237820929
            0.13009754669731         0.54658006457823
            0.26873524474993        -0.20802232268177
            0.43747574109950        -0.11173787974342
            2.03077490997018         0.00283906105737
#
Au GFN1-GTH-q19 GFN1-xTB-GTH-q19 GFN1-xTB-STO6G-GTH-q19 GFN1-UZH-q19 GFN1-xTB-UZH-q19 GFN1-xTB-STO6G-UZH-q19 GFN1-q19 GFN1-xTB-q19 GFN1-xTB-STO6G-q19
  3
   3 2 2   6 1
            8.57377435979107        -0.00409737701900
            3.31542329448531        -0.02508271857000
            0.89468266386504         0.26484585550000
            0.53197342631188         0.50974370540000
            0.32963370030194         0.26544834670000
            0.20492516231165         0.02623132212000
   1 0 0   6 1
            0.09933899373080         0.30196096126945
            0.15587166938919         1.30476826651687
            0.39744707012992        -0.84237061150133
            0.74164705667991        -0.08693662797569
            1.18547007117700         0.08040482815742
            2.55471135008755         0.01125817732456
   2 1 1   6 1
            0.05625772795554         0.08818658740224
            0.08661857649082         0.58260237820929
            0.13009754669731         0.54658006457823
            0.26873524474993        -0.20802232268177
            0.43747574109950        -0.11173787974342
            2.03077490997018         0.00283906105737
#
Hg GFN1-GTH-q2 GFN1-xTB-GTH-q2 GFN1-xTB-STO6G-GTH-q2 GFN1-UZH-q2 GFN1-xTB-UZH-q2 GFN1-xTB-STO6G-UZH-q2 GFN1-q2 GFN1-xTB-q2 GFN1-xTB-STO6G-q2
  2
   1 0 0   6 1
            0.07817324675253         0.30196096126945
            0.12266073990954         1.30476826651687
            0.31276467293931        -0.84237061150133
            0.58362739733637        -0.08693662797569
            0.93288688471099         0.08040482815742
            2.01038960886861         0.01125817732456
   2 1 1   6 1
            0.05446713780514         0.08818658740224
            0.08386165089957         0.58260237820929
            0.12595675761511         0.54658006457823
            0.26018184773583        -0.20802232268177
            0.42355161402363        -0.11173787974342
            1.96613871359996         0.00283906105737
#
Hg GFN1-GTH-q12 GFN1-xTB-GTH-q12 GFN1-xTB-STO6G-GTH-q12 GFN1-UZH-q12 GFN1-xTB-UZH-q12 GFN1-xTB-STO6G-UZH-q12 GFN1-q12 GFN1-xTB-q12 GFN1-xTB-STO6G-q12
  2
   1 0 0   6 1
            0.07817324675253         0.30196096126945
            0.12266073990954         1.30476826651687
            0.31276467293931        -0.84237061150133
            0.58362739733637        -0.08693662797569
            0.93288688471099         0.08040482815742
            2.01038960886861         0.01125817732456
   2 1 1   6 1
            0.05446713780514         0.08818658740224
            0.08386165089957         0.58260237820929
            0.12595675761511         0.54658006457823
            0.26018184773583        -0.20802232268177
            0.42355161402363        -0.11173787974342
            1.96613871359996         0.00283906105737
#
Hg GFN1-GTH-q20 GFN1-xTB-GTH-q20 GFN1-xTB-STO6G-GTH-q20 GFN1-UZH-q20 GFN1-xTB-UZH-q20 GFN1-xTB-STO6G-UZH-q20 GFN1-q20 GFN1-xTB-q20 GFN1-xTB-STO6G-q20
  2
   1 0 0   6 1
            0.07817324675253         0.30196096126945
            0.12266073990954         1.30476826651687
            0.31276467293931        -0.84237061150133
            0.58362739733637        -0.08693662797569
            0.93288688471099         0.08040482815742
            2.01038960886861         0.01125817732456
   2 1 1   6 1
            0.05446713780514         0.08818658740224
            0.08386165089957         0.58260237820929
            0.12595675761511         0.54658006457823
            0.26018184773583        -0.20802232268177
            0.42355161402363        -0.11173787974342
            1.96613871359996         0.00283906105737
#
Tl GFN1-GTH-q3 GFN1-xTB-GTH-q3 GFN1-xTB-STO6G-GTH-q3 GFN1-UZH-q3 GFN1-xTB-UZH-q3 GFN1-xTB-STO6G-UZH-q3 GFN1-q3 GFN1-xTB-q3 GFN1-xTB-STO6G-q3
  2
   1 0 0   6 1
            0.12879967732072         0.30196096126945
            0.20209808824089         1.30476826651687
            0.51531682033663        -0.84237061150133
            0.96159522055447        -0.08693662797569
            1.53704156753119         0.08040482815742
            3.31235484859575         0.01125817732456
   2 1 1   6 1
            0.05421854515488         0.08818658740224
            0.08347889919107         0.58260237820929
            0.12538188025869         0.54658006457823
            0.25899435565008        -0.20802232268177
            0.42161848842729        -0.11173787974342
            1.95716508925910         0.00283906105737
#
Tl GFN1-GTH-q13 GFN1-xTB-GTH-q13 GFN1-xTB-STO6G-GTH-q13 GFN1-UZH-q13 GFN1-xTB-UZH-q13 GFN1-xTB-STO6G-UZH-q13 GFN1-q13 GFN1-xTB-q13 GFN1-xTB-STO6G-q13
  2
   1 0 0   6 1
            0.12879967732072         0.30196096126945
            0.20209808824089         1.30476826651687
            0.51531682033663        -0.84237061150133
            0.96159522055447        -0.08693662797569
            1.53704156753119         0.08040482815742
            3.31235484859575         0.01125817732456
   2 1 1   6 1
            0.05421854515488         0.08818658740224
            0.08347889919107         0.58260237820929
            0.12538188025869         0.54658006457823
            0.25899435565008        -0.20802232268177
            0.42161848842729        -0.11173787974342
            1.95716508925910         0.00283906105737
#
Tl GFN1-GTH-q21 GFN1-xTB-GTH-q21 GFN1-xTB-STO6G-GTH-q21 GFN1-UZH-q21 GFN1-xTB-UZH-q21 GFN1-xTB-STO6G-UZH-q21 GFN1-q21 GFN1-xTB-q21 GFN1-xTB-STO6G-q21
  2
   1 0 0   6 1
            0.12879967732072         0.30196096126945
            0.20209808824089         1.30476826651687
            0.51531682033663        -0.84237061150133
            0.96159522055447        -0.08693662797569
            1.53704156753119         0.08040482815742
            3.31235484859575         0.01125817732456
   2 1 1   6 1
            0.05421854515488         0.08818658740224
            0.08347889919107         0.58260237820929
            0.12538188025869         0.54658006457823
            0.25899435565008        -0.20802232268177
            0.42161848842729        -0.11173787974342
            1.95716508925910         0.00283906105737
#
Pb GFN1-GTH-q4 GFN1-xTB-GTH-q4 GFN1-xTB-STO6G-GTH-q4 GFN1-UZH-q4 GFN1-xTB-UZH-q4 GFN1-xTB-STO6G-UZH-q4 GFN1-q4 GFN1-xTB-q4 GFN1-xTB-STO6G-q4
  2
   1 0 0   6 1
            0.14901157047395         0.30196096126945
            0.23381233668444         1.30476826651687
            0.59618292753015        -0.84237061150133
            1.11249357883305        -0.08693662797569
            1.77824186074047         0.08040482815742
            3.83214623067122         0.01125817732456
   2 1 1   6 1
            0.07856794255824         0.08818658740224
            0.12096903997947         0.58260237820929
            0.18169053296927         0.54658006457823
            0.37530799838867        -0.20802232268177
            0.61096617560692        -0.11173787974342
            2.83612247194471         0.00283906105737
#
Pb GFN1-GTH-q14 GFN1-xTB-GTH-q14 GFN1-xTB-STO6G-GTH-q14 GFN1-UZH-q14 GFN1-xTB-UZH-q14 GFN1-xTB-STO6G-UZH-q14 GFN1-q14 GFN1-xTB-q14 GFN1-xTB-STO6G-q14
  2
   1 0 0   6 1
            0.14901157047395         0.30196096126945
            0.23381233668444         1.30476826651687
            0.59618292753015        -0.84237061150133
            1.11249357883305        -0.08693662797569
            1.77824186074047         0.08040482815742
            3.83214623067122         0.01125817732456
   2 1 1   6 1
            0.07856794255824         0.08818658740224
            0.12096903997947         0.58260237820929
            0.18169053296927         0.54658006457823
            0.37530799838867        -0.20802232268177
            0.61096617560692        -0.11173787974342
            2.83612247194471         0.00283906105737
#
Pb GFN1-GTH-q22 GFN1-xTB-GTH-q22 GFN1-xTB-STO6G-GTH-q22 GFN1-UZH-q22 GFN1-xTB-UZH-q22 GFN1-xTB-STO6G-UZH-q22 GFN1-q22 GFN1-xTB-q22 GFN1-xTB-STO6G-q22
  2
   1 0 0   6 1
            0.14901157047395         0.30196096126945
            0.23381233668444         1.30476826651687
            0.59618292753015        -0.84237061150133
            1.11249357883305        -0.08693662797569
            1.77824186074047         0.08040482815742
            3.83214623067122         0.01125817732456
   2 1 1   6 1
            0.07856794255824         0.08818658740224
            0.12096903997947         0.58260237820929
            0.18169053296927         0.54658006457823
            0.37530799838867        -0.20802232268177
            0.61096617560692        -0.11173787974342
            2.83612247194471         0.00283906105737
#
Bi GFN1-GTH-q5 GFN1-xTB-GTH-q5 GFN1-xTB-STO6G-GTH-q5 GFN1-UZH-q5 GFN1-xTB-UZH-q5 GFN1-xTB-STO6G-UZH-q5 GFN1-q5 GFN1-xTB-q5 GFN1-xTB-STO6G-q5
  2
   1 0 0   6 1
            0.15407228380721         0.30196096126945
            0.24175304361059         1.30476826651687
            0.61643042160607        -0.84237061150133
            1.15027595418592        -0.08693662797569
            1.83863430050733         0.08040482815742
            3.96229312774022         0.01125817732456
   2 1 1   6 1
            0.09351724278054         0.08818658740224
            0.14398609295773         0.58260237820929
            0.21626120182564         0.54658006457823
            0.44671870052819        -0.20802232268177
            0.72721609239768        -0.11173787974342
            3.37575791255556         0.00283906105737
#
Bi GFN1-GTH-q15 GFN1-xTB-GTH-q15 GFN1-xTB-STO6G-GTH-q15 GFN1-UZH-q15 GFN1-xTB-UZH-q15 GFN1-xTB-STO6G-UZH-q15 GFN1-q15 GFN1-xTB-q15 GFN1-xTB-STO6G-q15
  2
   1 0 0   6 1
            0.15407228380721         0.30196096126945
            0.24175304361059         1.30476826651687
            0.61643042160607        -0.84237061150133
            1.15027595418592        -0.08693662797569
            1.83863430050733         0.08040482815742
            3.96229312774022         0.01125817732456
   2 1 1   6 1
            0.09351724278054         0.08818658740224
            0.14398609295773         0.58260237820929
            0.21626120182564         0.54658006457823
            0.44671870052819        -0.20802232268177
            0.72721609239768        -0.11173787974342
            3.37575791255556         0.00283906105737
#
Bi GFN1-GTH-q23 GFN1-xTB-GTH-q23 GFN1-xTB-STO6G-GTH-q23 GFN1-UZH-q23 GFN1-xTB-UZH-q23 GFN1-xTB-STO6G-UZH-q23 GFN1-q23 GFN1-xTB-q23 GFN1-xTB-STO6G-q23
  2
   1 0 0   6 1
            0.15407228380721         0.30196096126945
            0.24175304361059         1.30476826651687
            0.61643042160607        -0.84237061150133
            1.15027595418592        -0.08693662797569
            1.83863430050733         0.08040482815742
            3.96229312774022         0.01125817732456
   2 1 1   6 1
            0.09351724278054         0.08818658740224
            0.14398609295773         0.58260237820929
            0.21626120182564         0.54658006457823
            0.44671870052819        -0.20802232268177
            0.72721609239768        -0.11173787974342
            3.37575791255556         0.00283906105737
#
Po GFN1-GTH-q6 GFN1-xTB-GTH-q6 GFN1-xTB-STO6G-GTH-q6 GFN1-UZH-q6 GFN1-xTB-UZH-q6 GFN1-xTB-STO6G-UZH-q6 GFN1-q6 GFN1-xTB-q6 GFN1-xTB-STO6G-q6
  3
   1 0 0   6 1
            0.18240343651498         0.30196096126945
            0.28620712858196         1.30476826651687
            0.72978101248902        -0.84237061150133
            1.36179124369047        -0.08693662797569
            2.17672644696104         0.08040482815742
            4.69088836174997         0.01125817732456
   2 1 1   6 1
            0.10423476173065         0.08818658740224
            0.16048758117470         0.58260237820929
            0.24104575983680         0.54658006457823
            0.49791477941081        -0.20802232268177
            0.81055850091354        -0.11173787974342
            3.76263575799936         0.00283906105737
   3 2 2   6 1
            1.35980021991044        -0.00409737701900
            0.52582598232118        -0.02508271857000
            0.14189662942137         0.26484585550000
            0.08437096099448         0.50974370540000
            0.05227988973708         0.26544834670000
            0.03250112133618         0.02623132212000
#
Po GFN1-GTH-q16 GFN1-xTB-GTH-q16 GFN1-xTB-STO6G-GTH-q16 GFN1-UZH-q16 GFN1-xTB-UZH-q16 GFN1-xTB-STO6G-UZH-q16 GFN1-q16 GFN1-xTB-q16 GFN1-xTB-STO6G-q16
  3
   1 0 0   6 1
            0.18240343651498         0.30196096126945
            0.28620712858196         1.30476826651687
            0.72978101248902        -0.84237061150133
            1.36179124369047        -0.08693662797569
            2.17672644696104         0.08040482815742
            4.69088836174997         0.01125817732456
   2 1 1   6 1
            0.10423476173065         0.08818658740224
            0.16048758117470         0.58260237820929
            0.24104575983680         0.54658006457823
            0.49791477941081        -0.20802232268177
            0.81055850091354        -0.11173787974342
            3.76263575799936         0.00283906105737
   3 2 2   6 1
            1.35980021991044        -0.00409737701900
            0.52582598232118        -0.02508271857000
            0.14189662942137         0.26484585550000
            0.08437096099448         0.50974370540000
            0.05227988973708         0.26544834670000
            0.03250112133618         0.02623132212000
#
Po GFN1-GTH-q24 GFN1-xTB-GTH-q24 GFN1-xTB-STO6G-GTH-q24 GFN1-UZH-q24 GFN1-xTB-UZH-q24 GFN1-xTB-STO6G-UZH-q24 GFN1-q24 GFN1-xTB-q24 GFN1-xTB-STO6G-q24
  3
   1 0 0   6 1
            0.18240343651498         0.30196096126945
            0.28620712858196         1.30476826651687
            0.72978101248902        -0.84237061150133
            1.36179124369047        -0.08693662797569
            2.17672644696104         0.08040482815742
            4.69088836174997         0.01125817732456
   2 1 1   6 1
            0.10423476173065         0.08818658740224
            0.16048758117470         0.58260237820929
            0.24104575983680         0.54658006457823
            0.49791477941081        -0.20802232268177
            0.81055850091354        -0.11173787974342
            3.76263575799936         0.00283906105737
   3 2 2   6 1
            1.35980021991044        -0.00409737701900
            0.52582598232118        -0.02508271857000
            0.14189662942137         0.26484585550000
            0.08437096099448         0.50974370540000
            0.05227988973708         0.26544834670000
            0.03250112133618         0.02623132212000
#
At GFN1-GTH-q7 GFN1-xTB-GTH-q7 GFN1-xTB-STO6G-GTH-q7 GFN1-UZH-q7 GFN1-xTB-UZH-q7 GFN1-xTB-STO6G-UZH-q7 GFN1-q7 GFN1-xTB-q7 GFN1-xTB-STO6G-q7
  3
   1 0 0   6 1
            0.22727667082493         0.30196096126945
            0.35661720301597         1.30476826651687
            0.90931509909428        -0.84237061150133
            1.69680673861156        -0.08693662797569
            2.71222488794104         0.08040482815742
            5.84489804819234         0.01125817732456
   2 1 1   6 1
            0.10510833504807         0.08818658740224
            0.16183259953867         0.58260237820929
            0.24306592221425         0.54658006457823
            0.50208771613960        -0.20802232268177
            0.81735165002091        -0.11173787974342
            3.79416975056372         0.00283906105737
   3 2 2   6 1
            1.68036179750153        -0.00409737701900
            0.64978507863782        -0.02508271857000
            0.17534757810939         0.26484585550000
            0.10426071241771         0.50974370540000
            0.06460443836196         0.26544834670000
            0.04016299002575         0.02623132212000
#
At GFN1-GTH-q17 GFN1-xTB-GTH-q17 GFN1-xTB-STO6G-GTH-q17 GFN1-UZH-q17 GFN1-xTB-UZH-q17 GFN1-xTB-STO6G-UZH-q17 GFN1-q17 GFN1-xTB-q17 GFN1-xTB-STO6G-q17
  3
   1 0 0   6 1
            0.22727667082493         0.30196096126945
            0.35661720301597         1.30476826651687
            0.90931509909428        -0.84237061150133
            1.69680673861156        -0.08693662797569
            2.71222488794104         0.08040482815742
            5.84489804819234         0.01125817732456
   2 1 1   6 1
            0.10510833504807         0.08818658740224
            0.16183259953867         0.58260237820929
            0.24306592221425         0.54658006457823
            0.50208771613960        -0.20802232268177
            0.81735165002091        -0.11173787974342
            3.79416975056372         0.00283906105737
   3 2 2   6 1
            1.68036179750153        -0.00409737701900
            0.64978507863782        -0.02508271857000
            0.17534757810939         0.26484585550000
            0.10426071241771         0.50974370540000
            0.06460443836196         0.26544834670000
            0.04016299002575         0.02623132212000
#
At GFN1-GTH-q25 GFN1-xTB-GTH-q25 GFN1-xTB-STO6G-GTH-q25 GFN1-UZH-q25 GFN1-xTB-UZH-q25 GFN1-xTB-STO6G-UZH-q25 GFN1-q25 GFN1-xTB-q25 GFN1-xTB-STO6G-q25
  3
   1 0 0   6 1
            0.22727667082493         0.30196096126945
            0.35661720301597         1.30476826651687
            0.90931509909428        -0.84237061150133
            1.69680673861156        -0.08693662797569
            2.71222488794104         0.08040482815742
            5.84489804819234         0.01125817732456
   2 1 1   6 1
            0.10510833504807         0.08818658740224
            0.16183259953867         0.58260237820929
            0.24306592221425         0.54658006457823
            0.50208771613960        -0.20802232268177
            0.81735165002091        -0.11173787974342
            3.79416975056372         0.00283906105737
   3 2 2   6 1
            1.68036179750153        -0.00409737701900
            0.64978507863782        -0.02508271857000
            0.17534757810939         0.26484585550000
            0.10426071241771         0.50974370540000
            0.06460443836196         0.26544834670000
            0.04016299002575         0.02623132212000
#
Rn GFN1-GTH-q8 GFN1-xTB-GTH-q8 GFN1-xTB-STO6G-GTH-q8 GFN1-UZH-q8 GFN1-xTB-UZH-q8 GFN1-xTB-STO6G-UZH-q8 GFN1-q8 GFN1-xTB-q8 GFN1-xTB-STO6G-q8
  3
   1 0 0   6 1
            0.22776303055331         0.30196096126945
            0.35738034445659         1.30476826651687
            0.91126098400626        -0.84237061150133
            1.70043781285029        -0.08693662797569
            2.71802890185503         0.08040482815742
            5.85740581248150         0.01125817732456
   2 1 1   6 1
            0.11808515249726         0.08818658740224
            0.18181267153374         0.58260237820929
            0.27307517028438         0.54658006457823
            0.56407614581883        -0.20802232268177
            0.91826299210687        -0.11173787974342
            4.26260308843190         0.00283906105737
   3 2 2   6 1
            1.77575269917229        -0.00409737701900
            0.68667212560332        -0.02508271857000
            0.18530172227436         0.26484585550000
            0.11017939218128         0.50974370540000
            0.06827190785361         0.26544834670000
            0.04244296558699         0.02623132212000
#
Rn GFN1-GTH-q18 GFN1-xTB-GTH-q18 GFN1-xTB-STO6G-GTH-q18 GFN1-UZH-q18 GFN1-xTB-UZH-q18 GFN1-xTB-STO6G-UZH-q18 GFN1-q18 GFN1-xTB-q18 GFN1-xTB-STO6G-q18
  3
   1 0 0   6 1
            0.22776303055331         0.30196096126945
            0.35738034445659         1.30476826651687
            0.91126098400626        -0.84237061150133
            1.70043781285029        -0.08693662797569
            2.71802890185503         0.08040482815742
            5.85740581248150         0.01125817732456
   2 1 1   6 1
            0.11808515249726         0.08818658740224
            0.18181267153374         0.58260237820929
            0.27307517028438         0.54658006457823
            0.56407614581883        -0.20802232268177
            0.91826299210687        -0.11173787974342
            4.26260308843190         0.00283906105737
   3 2 2   6 1
            1.77575269917229        -0.00409737701900
            0.68667212560332        -0.02508271857000
            0.18530172227436         0.26484585550000
            0.11017939218128         0.50974370540000
            0.06827190785361         0.26544834670000
            0.04244296558699         0.02623132212000
#
Rn GFN1-GTH-q26 GFN1-xTB-GTH-q26 GFN1-xTB-STO6G-GTH-q26 GFN1-UZH-q26 GFN1-xTB-UZH-q26 GFN1-xTB-STO6G-UZH-q26 GFN1-q26 GFN1-xTB-q26 GFN1-xTB-STO6G-q26
  3
   1 0 0   6 1
            0.22776303055331         0.30196096126945
            0.35738034445659         1.30476826651687
            0.91126098400626        -0.84237061150133
            1.70043781285029        -0.08693662797569
            2.71802890185503         0.08040482815742
            5.85740581248150         0.01125817732456
   2 1 1   6 1
            0.11808515249726         0.08818658740224
            0.18181267153374         0.58260237820929
            0.27307517028438         0.54658006457823
            0.56407614581883        -0.20802232268177
            0.91826299210687        -0.11173787974342
            4.26260308843190         0.00283906105737
   3 2 2   6 1
            1.77575269917229        -0.00409737701900
            0.68667212560332        -0.02508271857000
            0.18530172227436         0.26484585550000
            0.11017939218128         0.50974370540000
            0.06827190785361         0.26544834670000
            0.04244296558699         0.02623132212000
#

# ---- tblite GFN2-xTB static STO-6G Gaussian basis for UZH GTH potentials ----
H GFN2-GTH-q1 GFN2-xTB-GTH-q1 GFN2-xTB-STO6G-GTH-q1 GFN2-UZH-q1 GFN2-xTB-UZH-q1 GFN2-xTB-STO6G-UZH-q1 GFN2-q1 GFN2-xTB-q1 GFN2-xTB-STO6G-q1
  1
   1 0 0   6 1
           34.95257634122100         0.00916359628000
            6.40851661138860         0.04936149294000
            1.79287200759510         0.16853830490000
            0.61589992308678         0.37056279970000
            0.23917196320479         0.41649152980000
            0.09850422237007         0.13033408410000
#
He GFN2-GTH-q2 GFN2-xTB-GTH-q2 GFN2-xTB-STO6G-GTH-q2 GFN2-UZH-q2 GFN2-xTB-UZH-q2 GFN2-xTB-STO6G-UZH-q2 GFN2-q2 GFN2-xTB-q2 GFN2-xTB-STO6G-q2
  2
   1 0 0   6 1
           64.40635143064925         0.00916359628000
           11.80883403251381         0.04936149294000
            3.30368621368727         0.16853830490000
            1.13490537879621         0.37056279970000
            0.44071696930561         0.41649152980000
            0.18151158591097         0.13033408410000
   2 1 1   6 1
           13.20364330425000         0.00792423364600
            3.44324166975000         0.05144104825000
            1.23202467697500         0.18984000600000
            0.51500986492500         0.40498631910000
            0.23549759302500         0.40123628610000
            0.11133495285750         0.10518551890000
#
Li GFN2-GTH-q1 GFN2-xTB-GTH-q1 GFN2-xTB-STO6G-GTH-q1 GFN2-UZH-q1 GFN2-xTB-UZH-q1 GFN2-xTB-STO6G-UZH-q1 GFN2-q1 GFN2-xTB-q1 GFN2-xTB-STO6G-q1
  2
   1 0 0   6 1
           15.57528310190776        -0.00415127781900
            2.85634856362164        -0.02067024148000
            0.80269556900593        -0.05150303337000
            0.11478724851233         0.33462711740000
            0.05209751309630         0.56210613010000
            0.02484500960081         0.17129946970000
   2 1 1   6 1
            1.82617766152022         0.00792423364600
            0.47622999770745         0.05144104825000
            0.17039963074504         0.18984000600000
            0.07123030281239         0.40498631910000
            0.03257134669683         0.40123628610000
            0.01539858349470         0.10518551890000
#
Li GFN2-GTH-q3 GFN2-xTB-GTH-q3 GFN2-xTB-STO6G-GTH-q3 GFN2-UZH-q3 GFN2-xTB-UZH-q3 GFN2-xTB-STO6G-UZH-q3 GFN2-q3 GFN2-xTB-q3 GFN2-xTB-STO6G-q3
  2
   1 0 0   6 1
           15.57528310190776        -0.00415127781900
            2.85634856362164        -0.02067024148000
            0.80269556900593        -0.05150303337000
            0.11478724851233         0.33462711740000
            0.05209751309630         0.56210613010000
            0.02484500960081         0.17129946970000
   2 1 1   6 1
            1.82617766152022         0.00792423364600
            0.47622999770745         0.05144104825000
            0.17039963074504         0.18984000600000
            0.07123030281239         0.40498631910000
            0.03257134669683         0.40123628610000
            0.01539858349470         0.10518551890000
#
Be GFN2-GTH-q2 GFN2-xTB-GTH-q2 GFN2-xTB-STO6G-GTH-q2 GFN2-UZH-q2 GFN2-xTB-UZH-q2 GFN2-xTB-STO6G-UZH-q2 GFN2-q2 GFN2-xTB-q2 GFN2-xTB-STO6G-q2
  2
   1 0 0   6 1
           29.64077982394047        -0.00415127781900
            5.43581765549849        -0.02067024148000
            1.52758203307670        -0.05150303337000
            0.21844762226718         0.33462711740000
            0.09914496609524         0.56210613010000
            0.04728167407828         0.17129946970000
   2 1 1   6 1
            5.28868262657173         0.00792423364600
            1.37918088047964         0.05144104825000
            0.49348406000396         0.18984000600000
            0.20628576994845         0.40498631910000
            0.09432790633097         0.40123628610000
            0.04459490591647         0.10518551890000
#
Be GFN2-GTH-q4 GFN2-xTB-GTH-q4 GFN2-xTB-STO6G-GTH-q4 GFN2-UZH-q4 GFN2-xTB-UZH-q4 GFN2-xTB-STO6G-UZH-q4 GFN2-q4 GFN2-xTB-q4 GFN2-xTB-STO6G-q4
  2
   1 0 0   6 1
           29.64077982394047        -0.00415127781900
            5.43581765549849        -0.02067024148000
            1.52758203307670        -0.05150303337000
            0.21844762226718         0.33462711740000
            0.09914496609524         0.56210613010000
            0.04728167407828         0.17129946970000
   2 1 1   6 1
            5.28868262657173         0.00792423364600
            1.37918088047964         0.05144104825000
            0.49348406000396         0.18984000600000
            0.20628576994845         0.40498631910000
            0.09432790633097         0.40123628610000
            0.04459490591647         0.10518551890000
#
B GFN2-GTH-q3 GFN2-xTB-GTH-q3 GFN2-xTB-STO6G-GTH-q3 GFN2-UZH-q3 GFN2-xTB-UZH-q3 GFN2-xTB-STO6G-UZH-q3 GFN2-q3 GFN2-xTB-q3 GFN2-xTB-STO6G-q3
  2
   1 0 0   6 1
           60.59558741754666        -0.00415127781900
           11.11261464394945        -0.02067024148000
            3.12288445758128        -0.05150303337000
            0.44657941086135         0.33462711740000
            0.20268520247168         0.56210613010000
            0.09665942771669         0.17129946970000
   2 1 1   6 1
           12.85050651234779         0.00792423364600
            3.35115077567017         0.05144104825000
            1.19907367762232         0.18984000600000
            0.50123571734264         0.40498631910000
            0.22919911444714         0.40123628610000
            0.10835725441680         0.10518551890000
#
C GFN2-GTH-q4 GFN2-xTB-GTH-q4 GFN2-xTB-STO6G-GTH-q4 GFN2-UZH-q4 GFN2-xTB-UZH-q4 GFN2-xTB-STO6G-UZH-q4 GFN2-q4 GFN2-xTB-q4 GFN2-xTB-STO6G-q4
  2
   1 0 0   6 1
          121.67616090225562        -0.00415127781900
           22.31417080165835        -0.02067024148000
            6.27076339934585        -0.05150303337000
            0.89673308845365         0.33462711740000
            0.40699262701279         0.56210613010000
            0.19409248397137         0.17129946970000
   2 1 1   6 1
           19.01324635812000         0.00792423364600
            4.95826800444000         0.05144104825000
            1.77411553484400         0.18984000600000
            0.74161420549200         0.40498631910000
            0.33911653395600         0.40123628610000
            0.16032233211480         0.10518551890000
#
N GFN2-GTH-q5 GFN2-xTB-GTH-q5 GFN2-xTB-STO6G-GTH-q5 GFN2-UZH-q5 GFN2-xTB-UZH-q5 GFN2-xTB-STO6G-UZH-q5 GFN2-q5 GFN2-xTB-q5 GFN2-xTB-STO6G-q5
  2
   1 0 0   6 1
          151.57636225497740        -0.00415127781900
           27.79756372794060        -0.02067024148000
            7.81171510989775        -0.05150303337000
            1.11709260428314         0.33462711740000
            0.50700532799315         0.56210613010000
            0.24178797591293         0.17129946970000
   2 1 1   6 1
           23.81076612927120         0.00792423364600
            6.20936360031695         0.05144104825000
            2.22176945960818         0.18984000600000
            0.92874210287471         0.40498631910000
            0.42468415590413         0.40123628610000
            0.20077568466652         0.10518551890000
#
O GFN2-GTH-q6 GFN2-xTB-GTH-q6 GFN2-xTB-STO6G-GTH-q6 GFN2-UZH-q6 GFN2-xTB-UZH-q6 GFN2-xTB-STO6G-UZH-q6 GFN2-q6 GFN2-xTB-q6 GFN2-xTB-STO6G-q6
  2
   1 0 0   6 1
          164.79033757192514        -0.00415127781900
           30.22087245172697        -0.02067024148000
            8.49271714154419        -0.05150303337000
            1.21447740676911         0.33462711740000
            0.55120454078593         0.56210613010000
            0.26286633073104         0.17129946970000
   2 1 1   6 1
           26.79968305797124         0.00792423364600
            6.98881235390517         0.05144104825000
            2.50066365030488         0.18984000600000
            1.04532520560260         0.40498631910000
            0.47799389218229         0.40123628610000
            0.22597864703712         0.10518551890000
#
F GFN2-GTH-q7 GFN2-xTB-GTH-q7 GFN2-xTB-STO6G-GTH-q7 GFN2-UZH-q7 GFN2-xTB-UZH-q7 GFN2-xTB-STO6G-UZH-q7 GFN2-q7 GFN2-xTB-q7 GFN2-xTB-STO6G-q7
  2
   1 0 0   6 1
          161.64697187254677        -0.00415127781900
           29.64441114173915        -0.02067024148000
            8.33071907690888        -0.05150303337000
            1.19131132385820         0.33462711740000
            0.54069034758518         0.56210613010000
            0.25785217140765         0.17129946970000
   2 1 1   6 1
           31.27037002100581         0.00792423364600
            8.15467659976629         0.05144104825000
            2.91782098594088         0.18984000600000
            1.21970494579244         0.40498631910000
            0.55773218824971         0.40123628610000
            0.26367609999012         0.10518551890000
#
Ne GFN2-GTH-q8 GFN2-xTB-GTH-q8 GFN2-xTB-STO6G-GTH-q8 GFN2-UZH-q8 GFN2-xTB-UZH-q8 GFN2-xTB-STO6G-UZH-q8 GFN2-q8 GFN2-xTB-q8 GFN2-xTB-STO6G-q8
  3
   1 0 0   6 1
          263.33098726705259        -0.00415127781900
           48.29222572173875        -0.02067024148000
           13.57115728030198        -0.05150303337000
            1.94070562176288         0.33462711740000
            0.88081156971893         0.56210613010000
            0.42005406027195         0.17129946970000
   2 1 1   6 1
           31.36939079325963         0.00792423364600
            8.18049920352335         0.05144104825000
            2.92706055960541         0.18984000600000
            1.22356726419715         0.40498631910000
            0.55949830332779         0.40123628610000
            0.26451105688472         0.10518551890000
   3 2 2   6 1
           19.72635715653271         0.00728382811200
            6.32744744300781         0.05386799363000
            2.62510587567788         0.20721391490000
            1.23601200727980         0.42662690920000
            0.62451955581128         0.38431002040000
            0.32174259960189         0.08902827546000
#
Na GFN2-GTH-q1 GFN2-xTB-GTH-q1 GFN2-xTB-STO6G-GTH-q1 GFN2-UZH-q1 GFN2-xTB-UZH-q1 GFN2-xTB-STO6G-UZH-q1 GFN2-q1 GFN2-xTB-q1 GFN2-xTB-STO6G-q1
  2
   1 0 0   6 1
            1.90939054451036        -0.00677559694700
            0.53673659694483        -0.05639325779000
            0.20962545414702        -0.15878560860000
            0.05038389111042         0.55345276510000
            0.02798646749751         0.50153510200000
            0.01589533825255         0.07223633674000
   2 1 1   6 1
            1.67046565414049        -0.00332992984000
            0.44106935288176        -0.01419488340000
            0.07396519717333         0.16393957700000
            0.03723012431241         0.44853582560000
            0.01998913964869         0.39088130500000
            0.01090652057733         0.07411456232000
#
Na GFN2-GTH-q9 GFN2-xTB-GTH-q9 GFN2-xTB-STO6G-GTH-q9 GFN2-UZH-q9 GFN2-xTB-UZH-q9 GFN2-xTB-STO6G-UZH-q9 GFN2-q9 GFN2-xTB-q9 GFN2-xTB-STO6G-q9
  2
   1 0 0   6 1
            1.90939054451036        -0.00677559694700
            0.53673659694483        -0.05639325779000
            0.20962545414702        -0.15878560860000
            0.05038389111042         0.55345276510000
            0.02798646749751         0.50153510200000
            0.01589533825255         0.07223633674000
   2 1 1   6 1
            1.67046565414049        -0.00332992984000
            0.44106935288176        -0.01419488340000
            0.07396519717333         0.16393957700000
            0.03723012431241         0.44853582560000
            0.01998913964869         0.39088130500000
            0.01090652057733         0.07411456232000
#
Mg GFN2-GTH-q2 GFN2-xTB-GTH-q2 GFN2-xTB-STO6G-GTH-q2 GFN2-UZH-q2 GFN2-xTB-UZH-q2 GFN2-xTB-STO6G-UZH-q2 GFN2-q2 GFN2-xTB-q2 GFN2-xTB-STO6G-q2
  3
   1 0 0   6 1
            4.58989295490002        -0.00677559694700
            1.29023553198008        -0.05639325779000
            0.50390864138476        -0.15878560860000
            0.12111543524348         0.55345276510000
            0.06727533577071         0.50153510200000
            0.03821004627414         0.07223633674000
   2 1 1   6 1
            2.61613309164780        -0.00332992984000
            0.69076315752170        -0.01419488340000
            0.11583764052602         0.16393957700000
            0.05830647279604         0.44853582560000
            0.03130519300346         0.39088130500000
            0.01708081176429         0.07411456232000
   3 2 2   6 1
            4.20522179987000         0.00728382811200
            1.34887144715700         0.05386799363000
            0.55961434581000         0.20721391490000
            0.26349034424700         0.42662690920000
            0.13313371697080         0.38431002040000
            0.06858838573470         0.08902827546000
#
Mg GFN2-GTH-q10 GFN2-xTB-GTH-q10 GFN2-xTB-STO6G-GTH-q10 GFN2-UZH-q10 GFN2-xTB-UZH-q10 GFN2-xTB-STO6G-UZH-q10 GFN2-q10 GFN2-xTB-q10 GFN2-xTB-STO6G-q10
  3
   1 0 0   6 1
            4.58989295490002        -0.00677559694700
            1.29023553198008        -0.05639325779000
            0.50390864138476        -0.15878560860000
            0.12111543524348         0.55345276510000
            0.06727533577071         0.50153510200000
            0.03821004627414         0.07223633674000
   2 1 1   6 1
            2.61613309164780        -0.00332992984000
            0.69076315752170        -0.01419488340000
            0.11583764052602         0.16393957700000
            0.05830647279604         0.44853582560000
            0.03130519300346         0.39088130500000
            0.01708081176429         0.07411456232000
   3 2 2   6 1
            4.20522179987000         0.00728382811200
            1.34887144715700         0.05386799363000
            0.55961434581000         0.20721391490000
            0.26349034424700         0.42662690920000
            0.13313371697080         0.38431002040000
            0.06858838573470         0.08902827546000
#
Al GFN2-GTH-q3 GFN2-xTB-GTH-q3 GFN2-xTB-STO6G-GTH-q3 GFN2-UZH-q3 GFN2-xTB-UZH-q3 GFN2-xTB-STO6G-UZH-q3 GFN2-q3 GFN2-xTB-q3 GFN2-xTB-STO6G-q3
  3
   1 0 0   6 1
            5.98748859227466        -0.00677559694700
            1.68310472705707        -0.05639325779000
            0.65734588398600        -0.15878560860000
            0.15799437895268         0.55345276510000
            0.08776028317579         0.50153510200000
            0.04984478253081         0.07223633674000
   2 1 1   6 1
            9.82811436727849        -0.00332992984000
            2.59501297334596        -0.01419488340000
            0.43517112442027         0.16393957700000
            0.21904186939936         0.44853582560000
            0.11760526179267         0.39088130500000
            0.06416805476805         0.07411456232000
   3 2 2   6 1
            2.48829692300000         0.00728382811200
            0.79814878530000         0.05386799363000
            0.33113274900000         0.20721391490000
            0.15591144630000         0.42662690920000
            0.07877734732000         0.38431002040000
            0.04058484363000         0.08902827546000
#
Si GFN2-GTH-q4 GFN2-xTB-GTH-q4 GFN2-xTB-STO6G-GTH-q4 GFN2-UZH-q4 GFN2-xTB-UZH-q4 GFN2-xTB-STO6G-UZH-q4 GFN2-q4 GFN2-xTB-q4 GFN2-xTB-STO6G-q4
  3
   1 0 0   6 1
           10.29951642632397        -0.00677559694700
            2.89523136727383        -0.05639325779000
            1.13074866457795        -0.15878560860000
            0.27177767042255         0.55345276510000
            0.15096287269993         0.50153510200000
            0.08574165086595         0.07223633674000
   2 1 1   6 1
           15.00514413550253        -0.00332992984000
            3.96195467852879        -0.01419488340000
            0.66440063693958         0.16393957700000
            0.33442374592121         0.44853582560000
            0.17955467736190         0.39088130500000
            0.09796903807867         0.07411456232000
   3 2 2   6 1
            3.88796394218750         0.00728382811200
            1.24710747703125         0.05386799363000
            0.51739492031250         0.20721391490000
            0.24361163484375         0.42662690920000
            0.12308960518750         0.38431002040000
            0.06341381817187         0.08902827546000
#
P GFN2-GTH-q5 GFN2-xTB-GTH-q5 GFN2-xTB-STO6G-GTH-q5 GFN2-UZH-q5 GFN2-xTB-UZH-q5 GFN2-xTB-STO6G-UZH-q5 GFN2-q5 GFN2-xTB-q5 GFN2-xTB-STO6G-q5
  3
   1 0 0   6 1
           10.80522476896316        -0.00677559694700
            3.03738781381912        -0.05639325779000
            1.18626865303524        -0.15878560860000
            0.28512200908727         0.55345276510000
            0.15837518032614         0.50153510200000
            0.08995158328993         0.07223633674000
   2 1 1   6 1
           18.39419334353877        -0.00332992984000
            4.85679842306666        -0.01419488340000
            0.81446160483867         0.16393957700000
            0.40995641132102         0.44853582560000
            0.22010874546131         0.39088130500000
            0.12009624245034         0.07411456232000
   3 2 2   6 1
            3.39188041118008         0.00728382811200
            1.08798319245691         0.05386799363000
            0.45137807889871         0.20721391490000
            0.21252808525204         0.42662690920000
            0.10738402589723         0.38431002040000
            0.05532255207447         0.08902827546000
#
S GFN2-GTH-q6 GFN2-xTB-GTH-q6 GFN2-xTB-STO6G-GTH-q6 GFN2-UZH-q6 GFN2-xTB-UZH-q6 GFN2-xTB-STO6G-UZH-q6 GFN2-q6 GFN2-xTB-q6 GFN2-xTB-STO6G-q6
  3
   1 0 0   6 1
           12.84887751378013        -0.00677559694700
            3.61186600150246        -0.05639325779000
            1.41063429472272        -0.15878560860000
            0.33904873332836         0.55345276510000
            0.18832956618159         0.50153510200000
            0.10696463059082         0.07223633674000
   2 1 1   6 1
           20.83609142665615        -0.00332992984000
            5.50155661049432        -0.01419488340000
            0.92258443439058         0.16393957700000
            0.46437966089060         0.44853582560000
            0.24932900609362         0.39088130500000
            0.13603946859524         0.07411456232000
   3 2 2   6 1
            7.21281018650462         0.00728382811200
            2.31358871835013         0.05386799363000
            0.95985235644343         0.20721391490000
            0.45193950033483         0.42662690920000
            0.22835138683146         0.38431002040000
            0.11764302356619         0.08902827546000
#
Cl GFN2-GTH-q7 GFN2-xTB-GTH-q7 GFN2-xTB-STO6G-GTH-q7 GFN2-UZH-q7 GFN2-xTB-UZH-q7 GFN2-xTB-STO6G-UZH-q7 GFN2-q7 GFN2-xTB-q7 GFN2-xTB-STO6G-q7
  3
   1 0 0   6 1
           20.21601962589866        -0.00677559694700
            5.68279632942101        -0.05639325779000
            2.21944761762231        -0.15878560860000
            0.53344860979111         0.55345276510000
            0.29631181416282         0.50153510200000
            0.16829478442626         0.07223633674000
   2 1 1   6 1
           24.56957280057699        -0.00332992984000
            6.48734414195880        -0.01419488340000
            1.08789623549258         0.16393957700000
            0.54758878005125         0.44853582560000
            0.29400462116785         0.39088130500000
            0.16041548095371         0.07411456232000
   3 2 2   6 1
           15.25579007885373         0.00728382811200
            4.89346356042932         0.05386799363000
            2.03018042593053         0.20721391490000
            0.95589568658695         0.42662690920000
            0.48298523483038         0.38431002040000
            0.24882635552027         0.08902827546000
#
Ar GFN2-GTH-q8 GFN2-xTB-GTH-q8 GFN2-xTB-STO6G-GTH-q8 GFN2-UZH-q8 GFN2-xTB-UZH-q8 GFN2-xTB-STO6G-UZH-q8 GFN2-q8 GFN2-xTB-q8 GFN2-xTB-STO6G-q8
  3
   1 0 0   6 1
           17.76406742790991        -0.00677559694700
            4.99354368678924        -0.05639325779000
            1.95025617612914        -0.15878560860000
            0.46874791620770         0.55345276510000
            0.26037286982703         0.50153510200000
            0.14788271646134         0.07223633674000
   2 1 1   6 1
           23.46024841102098        -0.00332992984000
            6.19443839473518        -0.01419488340000
            1.03877735837032         0.16393957700000
            0.52286496437531         0.44853582560000
            0.28073021466714         0.39088130500000
            0.15317266859679         0.07411456232000
   3 2 2   6 1
            9.46690276540803         0.00728382811200
            3.03661386746956         0.05386799363000
            1.25981811424893         0.20721391490000
            0.59317619553084         0.42662690920000
            0.29971402540500         0.38431002040000
            0.15440792649909         0.08902827546000
#
K GFN2-GTH-q1 GFN2-xTB-GTH-q1 GFN2-xTB-STO6G-GTH-q1 GFN2-UZH-q1 GFN2-xTB-UZH-q1 GFN2-xTB-STO6G-UZH-q1 GFN2-q1 GFN2-xTB-q1 GFN2-xTB-STO6G-q1
  2
   1 0 0   6 1
            2.48058190033104         0.00137481748800
            0.27667494168707        -0.08666390043000
            0.13181620625589        -0.31306273090000
            0.04049593993760         0.78127873970000
            0.02427301312332         0.43892479880000
            0.01438006009617         0.02487178756000
   2 1 1   6 1
            0.95358848426302        -0.00166591357500
            0.31767152026396        -0.01657464971000
            0.13629284432256        -0.05958513378000
            0.03530456470037         0.40531155540000
            0.01978526075707         0.54339581890000
            0.01124060082441         0.12049704910000
#
K GFN2-GTH-q9 GFN2-xTB-GTH-q9 GFN2-xTB-STO6G-GTH-q9 GFN2-UZH-q9 GFN2-xTB-UZH-q9 GFN2-xTB-STO6G-UZH-q9 GFN2-q9 GFN2-xTB-q9 GFN2-xTB-STO6G-q9
  2
   1 0 0   6 1
            2.48058190033104         0.00137481748800
            0.27667494168707        -0.08666390043000
            0.13181620625589        -0.31306273090000
            0.04049593993760         0.78127873970000
            0.02427301312332         0.43892479880000
            0.01438006009617         0.02487178756000
   2 1 1   6 1
            0.95358848426302        -0.00166591357500
            0.31767152026396        -0.01657464971000
            0.13629284432256        -0.05958513378000
            0.03530456470037         0.40531155540000
            0.01978526075707         0.54339581890000
            0.01124060082441         0.12049704910000
#
Ca GFN2-GTH-q2 GFN2-xTB-GTH-q2 GFN2-xTB-STO6G-GTH-q2 GFN2-UZH-q2 GFN2-xTB-UZH-q2 GFN2-xTB-STO6G-UZH-q2 GFN2-q2 GFN2-xTB-q2 GFN2-xTB-STO6G-q2
  3
   1 0 0   6 1
            5.19070533354043         0.00137481748800
            0.57895209800588        -0.08666390043000
            0.27583007227789        -0.31306273090000
            0.08473918615336         0.78127873970000
            0.05079213819285         0.43892479880000
            0.03009078419377         0.02487178756000
   2 1 1   6 1
            1.47728911136152        -0.00166591357500
            0.49213333174666        -0.01657464971000
            0.21114342108464        -0.05958513378000
            0.05469345516847         0.40531155540000
            0.03065111498746         0.54339581890000
            0.01741381893458         0.12049704910000
   3 2 2   6 1
            4.73871266016120         0.00728382811200
            1.51999454672532         0.05386799363000
            0.63060920719560         0.20721391490000
            0.29691775833372         0.42662690920000
            0.15002358023621         0.38431002040000
            0.07728977620897         0.08902827546000
#
Ca GFN2-GTH-q10 GFN2-xTB-GTH-q10 GFN2-xTB-STO6G-GTH-q10 GFN2-UZH-q10 GFN2-xTB-UZH-q10 GFN2-xTB-STO6G-UZH-q10 GFN2-q10 GFN2-xTB-q10 GFN2-xTB-STO6G-q10
  3
   1 0 0   6 1
            5.19070533354043         0.00137481748800
            0.57895209800588        -0.08666390043000
            0.27583007227789        -0.31306273090000
            0.08473918615336         0.78127873970000
            0.05079213819285         0.43892479880000
            0.03009078419377         0.02487178756000
   2 1 1   6 1
            1.47728911136152        -0.00166591357500
            0.49213333174666        -0.01657464971000
            0.21114342108464        -0.05958513378000
            0.05469345516847         0.40531155540000
            0.03065111498746         0.54339581890000
            0.01741381893458         0.12049704910000
   3 2 2   6 1
            4.73871266016120         0.00728382811200
            1.51999454672532         0.05386799363000
            0.63060920719560         0.20721391490000
            0.29691775833372         0.42662690920000
            0.15002358023621         0.38431002040000
            0.07728977620897         0.08902827546000
#
Sc GFN2-GTH-q3 GFN2-xTB-GTH-q3 GFN2-xTB-STO6G-GTH-q3 GFN2-UZH-q3 GFN2-xTB-UZH-q3 GFN2-xTB-STO6G-UZH-q3 GFN2-q3 GFN2-xTB-q3 GFN2-xTB-STO6G-q3
  3
   3 2 2   6 1
           14.81432456077280         0.00728382811200
            4.75185860816208         0.05386799363000
            1.97143193444640         0.20721391490000
            0.92823438669168         0.42662690920000
            0.46900881500435         0.38431002040000
            0.24162592503557         0.08902827546000
   1 0 0   6 1
            5.96804129060562         0.00137481748800
            0.66565327911325        -0.08666390043000
            0.31713710464515        -0.31306273090000
            0.09742933366450         0.78127873970000
            0.05839853324256         0.43892479880000
            0.03459704047824         0.02487178756000
   2 1 1   6 1
            2.48262222328931        -0.00166591357500
            0.82704268028459        -0.01657464971000
            0.35483193198585        -0.05958513378000
            0.09191375352695         0.40531155540000
            0.05150998450556         0.54339581890000
            0.02926436913861         0.12049704910000
#
Sc GFN2-GTH-q11 GFN2-xTB-GTH-q11 GFN2-xTB-STO6G-GTH-q11 GFN2-UZH-q11 GFN2-xTB-UZH-q11 GFN2-xTB-STO6G-UZH-q11 GFN2-q11 GFN2-xTB-q11 GFN2-xTB-STO6G-q11
  3
   3 2 2   6 1
           14.81432456077280         0.00728382811200
            4.75185860816208         0.05386799363000
            1.97143193444640         0.20721391490000
            0.92823438669168         0.42662690920000
            0.46900881500435         0.38431002040000
            0.24162592503557         0.08902827546000
   1 0 0   6 1
            5.96804129060562         0.00137481748800
            0.66565327911325        -0.08666390043000
            0.31713710464515        -0.31306273090000
            0.09742933366450         0.78127873970000
            0.05839853324256         0.43892479880000
            0.03459704047824         0.02487178756000
   2 1 1   6 1
            2.48262222328931        -0.00166591357500
            0.82704268028459        -0.01657464971000
            0.35483193198585        -0.05958513378000
            0.09191375352695         0.40531155540000
            0.05150998450556         0.54339581890000
            0.02926436913861         0.12049704910000
#
Ti GFN2-GTH-q4 GFN2-xTB-GTH-q4 GFN2-xTB-STO6G-GTH-q4 GFN2-UZH-q4 GFN2-xTB-UZH-q4 GFN2-xTB-STO6G-UZH-q4 GFN2-q4 GFN2-xTB-q4 GFN2-xTB-STO6G-q4
  3
   3 2 2   6 1
            8.51614097886539         0.00728382811200
            2.73164649881495         0.05386799363000
            1.13329448231739         0.20721391490000
            0.53360346373325         0.42662690920000
            0.26961372234843         0.38431002040000
            0.13890072634161         0.08902827546000
   1 0 0   6 1
            6.98567945380016         0.00137481748800
            0.77915688059596        -0.08666390043000
            0.37121361064385        -0.31306273090000
            0.11404245735513         0.78127873970000
            0.06835633567864         0.43892479880000
            0.04049634093711         0.02487178756000
   2 1 1   6 1
            2.19050078261230        -0.00166591357500
            0.72972747179266        -0.01657464971000
            0.31308010434267        -0.05958513378000
            0.08109858485310         0.40531155540000
            0.04544898547725         0.54339581890000
            0.02582093356751         0.12049704910000
#
Ti GFN2-GTH-q12 GFN2-xTB-GTH-q12 GFN2-xTB-STO6G-GTH-q12 GFN2-UZH-q12 GFN2-xTB-UZH-q12 GFN2-xTB-STO6G-UZH-q12 GFN2-q12 GFN2-xTB-q12 GFN2-xTB-STO6G-q12
  3
   3 2 2   6 1
            8.51614097886539         0.00728382811200
            2.73164649881495         0.05386799363000
            1.13329448231739         0.20721391490000
            0.53360346373325         0.42662690920000
            0.26961372234843         0.38431002040000
            0.13890072634161         0.08902827546000
   1 0 0   6 1
            6.98567945380016         0.00137481748800
            0.77915688059596        -0.08666390043000
            0.37121361064385        -0.31306273090000
            0.11404245735513         0.78127873970000
            0.06835633567864         0.43892479880000
            0.04049634093711         0.02487178756000
   2 1 1   6 1
            2.19050078261230        -0.00166591357500
            0.72972747179266        -0.01657464971000
            0.31308010434267        -0.05958513378000
            0.08109858485310         0.40531155540000
            0.04544898547725         0.54339581890000
            0.02582093356751         0.12049704910000
#
V GFN2-GTH-q5 GFN2-xTB-GTH-q5 GFN2-xTB-STO6G-GTH-q5 GFN2-UZH-q5 GFN2-xTB-UZH-q5 GFN2-xTB-STO6G-UZH-q5 GFN2-q5 GFN2-xTB-q5 GFN2-xTB-STO6G-q5
  3
   3 2 2   6 1
            6.96937125736969         0.00728382811200
            2.23550298678497         0.05386799363000
            0.92745646306231         0.20721391490000
            0.43668612957496         0.42662690920000
            0.22064431903967         0.38431002040000
            0.11367246411202         0.08902827546000
   1 0 0   6 1
            6.18498881469779         0.00137481748800
            0.68985080452829        -0.08666390043000
            0.32866552851159        -0.31306273090000
            0.10097104051323         0.78127873970000
            0.06052141017666         0.43892479880000
            0.03585469636686         0.02487178756000
   2 1 1   6 1
            2.10269518659595        -0.00166591357500
            0.70047655524478        -0.01657464971000
            0.30053037809702        -0.05958513378000
            0.07784777132423         0.40531155540000
            0.04362717592126         0.54339581890000
            0.02478590884641         0.12049704910000
#
V GFN2-GTH-q13 GFN2-xTB-GTH-q13 GFN2-xTB-STO6G-GTH-q13 GFN2-UZH-q13 GFN2-xTB-UZH-q13 GFN2-xTB-STO6G-UZH-q13 GFN2-q13 GFN2-xTB-q13 GFN2-xTB-STO6G-q13
  3
   3 2 2   6 1
            6.96937125736969         0.00728382811200
            2.23550298678497         0.05386799363000
            0.92745646306231         0.20721391490000
            0.43668612957496         0.42662690920000
            0.22064431903967         0.38431002040000
            0.11367246411202         0.08902827546000
   1 0 0   6 1
            6.18498881469779         0.00137481748800
            0.68985080452829        -0.08666390043000
            0.32866552851159        -0.31306273090000
            0.10097104051323         0.78127873970000
            0.06052141017666         0.43892479880000
            0.03585469636686         0.02487178756000
   2 1 1   6 1
            2.10269518659595        -0.00166591357500
            0.70047655524478        -0.01657464971000
            0.30053037809702        -0.05958513378000
            0.07784777132423         0.40531155540000
            0.04362717592126         0.54339581890000
            0.02478590884641         0.12049704910000
#
Cr GFN2-GTH-q6 GFN2-xTB-GTH-q6 GFN2-xTB-STO6G-GTH-q6 GFN2-UZH-q6 GFN2-xTB-UZH-q6 GFN2-xTB-STO6G-UZH-q6 GFN2-q6 GFN2-xTB-q6 GFN2-xTB-STO6G-q6
  3
   3 2 2   6 1
            6.11943314091618         0.00728382811200
            1.96287592650245         0.05386799363000
            0.81435004783522         0.20721391490000
            0.38343079666960         0.42662690920000
            0.19373600694015         0.38431002040000
            0.09980972722053         0.08902827546000
   1 0 0   6 1
            6.29503679318653         0.00137481748800
            0.70212514952254        -0.08666390043000
            0.33451339309070        -0.31306273090000
            0.10276759330052         0.78127873970000
            0.06159825268111         0.43892479880000
            0.03649265012437         0.02487178756000
   2 1 1   6 1
            2.78876632207680        -0.00166591357500
            0.92902929493716        -0.01657464971000
            0.39858796583578        -0.05958513378000
            0.10324808098753         0.40531155540000
            0.05786192868662         0.54339581890000
            0.03287309938862         0.12049704910000
#
Cr GFN2-GTH-q14 GFN2-xTB-GTH-q14 GFN2-xTB-STO6G-GTH-q14 GFN2-UZH-q14 GFN2-xTB-UZH-q14 GFN2-xTB-STO6G-UZH-q14 GFN2-q14 GFN2-xTB-q14 GFN2-xTB-STO6G-q14
  3
   3 2 2   6 1
            6.11943314091618         0.00728382811200
            1.96287592650245         0.05386799363000
            0.81435004783522         0.20721391490000
            0.38343079666960         0.42662690920000
            0.19373600694015         0.38431002040000
            0.09980972722053         0.08902827546000
   1 0 0   6 1
            6.29503679318653         0.00137481748800
            0.70212514952254        -0.08666390043000
            0.33451339309070        -0.31306273090000
            0.10276759330052         0.78127873970000
            0.06159825268111         0.43892479880000
            0.03649265012437         0.02487178756000
   2 1 1   6 1
            2.78876632207680        -0.00166591357500
            0.92902929493716        -0.01657464971000
            0.39858796583578        -0.05958513378000
            0.10324808098753         0.40531155540000
            0.05786192868662         0.54339581890000
            0.03287309938862         0.12049704910000
#
Mn GFN2-GTH-q7 GFN2-xTB-GTH-q7 GFN2-xTB-STO6G-GTH-q7 GFN2-UZH-q7 GFN2-xTB-UZH-q7 GFN2-xTB-STO6G-UZH-q7 GFN2-q7 GFN2-xTB-q7 GFN2-xTB-STO6G-q7
  3
   3 2 2   6 1
            8.41751176266834         0.00728382811200
            2.70001008582294         0.05386799363000
            1.12016929488933         0.20721391490000
            0.52742356470168         0.42662690920000
            0.26649120592025         0.38431002040000
            0.13729205525428         0.08902827546000
   1 0 0   6 1
            4.82904754231260         0.00137481748800
            0.53861412396628        -0.08666390043000
            0.25661185658576        -0.31306273090000
            0.07883505850107         0.78127873970000
            0.04725324100447         0.43892479880000
            0.02799423548823         0.02487178756000
   2 1 1   6 1
            3.67571180800165        -0.00166591357500
            1.22449985226332        -0.01657464971000
            0.52535577504352        -0.05958513378000
            0.13608533186701         0.40531155540000
            0.07626446605565         0.54339581890000
            0.04332813353052         0.12049704910000
#
Mn GFN2-GTH-q15 GFN2-xTB-GTH-q15 GFN2-xTB-STO6G-GTH-q15 GFN2-UZH-q15 GFN2-xTB-UZH-q15 GFN2-xTB-STO6G-UZH-q15 GFN2-q15 GFN2-xTB-q15 GFN2-xTB-STO6G-q15
  3
   3 2 2   6 1
            8.41751176266834         0.00728382811200
            2.70001008582294         0.05386799363000
            1.12016929488933         0.20721391490000
            0.52742356470168         0.42662690920000
            0.26649120592025         0.38431002040000
            0.13729205525428         0.08902827546000
   1 0 0   6 1
            4.82904754231260         0.00137481748800
            0.53861412396628        -0.08666390043000
            0.25661185658576        -0.31306273090000
            0.07883505850107         0.78127873970000
            0.04725324100447         0.43892479880000
            0.02799423548823         0.02487178756000
   2 1 1   6 1
            3.67571180800165        -0.00166591357500
            1.22449985226332        -0.01657464971000
            0.52535577504352        -0.05958513378000
            0.13608533186701         0.40531155540000
            0.07626446605565         0.54339581890000
            0.04332813353052         0.12049704910000
#
Fe GFN2-GTH-q8 GFN2-xTB-GTH-q8 GFN2-xTB-STO6G-GTH-q8 GFN2-UZH-q8 GFN2-xTB-UZH-q8 GFN2-xTB-STO6G-UZH-q8 GFN2-q8 GFN2-xTB-q8 GFN2-xTB-STO6G-q8
  3
   3 2 2   6 1
            9.08752979658463         0.00728382811200
            2.91492578778613         0.05386799363000
            1.20933265453485         0.20721391490000
            0.56940548404153         0.42662690920000
            0.28770340245540         0.38431002040000
            0.14822024347990         0.08902827546000
   1 0 0   6 1
            3.37924565305898         0.00137481748800
            0.37690857692770        -0.08666390043000
            0.17957050397470        -0.31306273090000
            0.05516678525406         0.78127873970000
            0.03306662604958         0.43892479880000
            0.01958965981499         0.02487178756000
   2 1 1   6 1
            4.00432631196289        -0.00166591357500
            1.33397209398700        -0.01657464971000
            0.57232342007034        -0.05958513378000
            0.14825157779808         0.40531155540000
            0.08308263107833         0.54339581890000
            0.04720173784212         0.12049704910000
#
Fe GFN2-GTH-q16 GFN2-xTB-GTH-q16 GFN2-xTB-STO6G-GTH-q16 GFN2-UZH-q16 GFN2-xTB-UZH-q16 GFN2-xTB-STO6G-UZH-q16 GFN2-q16 GFN2-xTB-q16 GFN2-xTB-STO6G-q16
  3
   3 2 2   6 1
            9.08752979658463         0.00728382811200
            2.91492578778613         0.05386799363000
            1.20933265453485         0.20721391490000
            0.56940548404153         0.42662690920000
            0.28770340245540         0.38431002040000
            0.14822024347990         0.08902827546000
   1 0 0   6 1
            3.37924565305898         0.00137481748800
            0.37690857692770        -0.08666390043000
            0.17957050397470        -0.31306273090000
            0.05516678525406         0.78127873970000
            0.03306662604958         0.43892479880000
            0.01958965981499         0.02487178756000
   2 1 1   6 1
            4.00432631196289        -0.00166591357500
            1.33397209398700        -0.01657464971000
            0.57232342007034        -0.05958513378000
            0.14825157779808         0.40531155540000
            0.08308263107833         0.54339581890000
            0.04720173784212         0.12049704910000
#
Co GFN2-GTH-q9 GFN2-xTB-GTH-q9 GFN2-xTB-STO6G-GTH-q9 GFN2-UZH-q9 GFN2-xTB-UZH-q9 GFN2-xTB-STO6G-UZH-q9 GFN2-q9 GFN2-xTB-q9 GFN2-xTB-STO6G-q9
  3
   3 2 2   6 1
           13.46824257053888         0.00728382811200
            4.32008790769274         0.05386799363000
            1.79230064762708         0.20721391490000
            0.84389172324349         0.42662690920000
            0.42639301321410         0.38431002040000
            0.21967093783857         0.08902827546000
   1 0 0   6 1
            6.93102222760605         0.00137481748800
            0.77306061549460        -0.08666390043000
            0.36830916785951        -0.31306273090000
            0.11315016843339         0.78127873970000
            0.06782150327963         0.43892479880000
            0.04017949020251         0.02487178756000
   2 1 1   6 1
            4.03042144631739        -0.00166591357500
            1.34266523692936        -0.01657464971000
            0.57605310026557        -0.05958513378000
            0.14921769407820         0.40531155540000
            0.08362405858738         0.54339581890000
            0.04750933907010         0.12049704910000
#
Co GFN2-GTH-q17 GFN2-xTB-GTH-q17 GFN2-xTB-STO6G-GTH-q17 GFN2-UZH-q17 GFN2-xTB-UZH-q17 GFN2-xTB-STO6G-UZH-q17 GFN2-q17 GFN2-xTB-q17 GFN2-xTB-STO6G-q17
  3
   3 2 2   6 1
           13.46824257053888         0.00728382811200
            4.32008790769274         0.05386799363000
            1.79230064762708         0.20721391490000
            0.84389172324349         0.42662690920000
            0.42639301321410         0.38431002040000
            0.21967093783857         0.08902827546000
   1 0 0   6 1
            6.93102222760605         0.00137481748800
            0.77306061549460        -0.08666390043000
            0.36830916785951        -0.31306273090000
            0.11315016843339         0.78127873970000
            0.06782150327963         0.43892479880000
            0.04017949020251         0.02487178756000
   2 1 1   6 1
            4.03042144631739        -0.00166591357500
            1.34266523692936        -0.01657464971000
            0.57605310026557        -0.05958513378000
            0.14921769407820         0.40531155540000
            0.08362405858738         0.54339581890000
            0.04750933907010         0.12049704910000
#
Ni GFN2-GTH-q10 GFN2-xTB-GTH-q10 GFN2-xTB-STO6G-GTH-q10 GFN2-UZH-q10 GFN2-xTB-UZH-q10 GFN2-xTB-STO6G-UZH-q10 GFN2-q10 GFN2-xTB-q10 GFN2-xTB-STO6G-q10
  3
   3 2 2   6 1
           14.70228832379658         0.00728382811200
            4.71592174482973         0.05386799363000
            1.95652259352545         0.20721391490000
            0.92121443196541         0.42662690920000
            0.46546184379239         0.38431002040000
            0.23979858155556         0.08902827546000
   1 0 0   6 1
            6.98531828991168         0.00137481748800
            0.77911659771000        -0.08666390043000
            0.37119441867377        -0.31306273090000
            0.11403656129052         0.78127873970000
            0.06835280161439         0.43892479880000
            0.04049424725158         0.02487178756000
   2 1 1   6 1
            4.14523714738014        -0.00166591357500
            1.38091410308987        -0.01657464971000
            0.59246328005379        -0.05958513378000
            0.15346849871111         0.40531155540000
            0.08600627966284         0.54339581890000
            0.04886275040561         0.12049704910000
#
Ni GFN2-GTH-q18 GFN2-xTB-GTH-q18 GFN2-xTB-STO6G-GTH-q18 GFN2-UZH-q18 GFN2-xTB-UZH-q18 GFN2-xTB-STO6G-UZH-q18 GFN2-q18 GFN2-xTB-q18 GFN2-xTB-STO6G-q18
  3
   3 2 2   6 1
           14.70228832379658         0.00728382811200
            4.71592174482973         0.05386799363000
            1.95652259352545         0.20721391490000
            0.92121443196541         0.42662690920000
            0.46546184379239         0.38431002040000
            0.23979858155556         0.08902827546000
   1 0 0   6 1
            6.98531828991168         0.00137481748800
            0.77911659771000        -0.08666390043000
            0.37119441867377        -0.31306273090000
            0.11403656129052         0.78127873970000
            0.06835280161439         0.43892479880000
            0.04049424725158         0.02487178756000
   2 1 1   6 1
            4.14523714738014        -0.00166591357500
            1.38091410308987        -0.01657464971000
            0.59246328005379        -0.05958513378000
            0.15346849871111         0.40531155540000
            0.08600627966284         0.54339581890000
            0.04886275040561         0.12049704910000
#
Cu GFN2-GTH-q1 GFN2-xTB-GTH-q1 GFN2-xTB-STO6G-GTH-q1 GFN2-UZH-q1 GFN2-xTB-UZH-q1 GFN2-xTB-STO6G-UZH-q1 GFN2-q1 GFN2-xTB-q1 GFN2-xTB-STO6G-q1
  3
   3 2 2   6 1
           14.04057353015881         0.00728382811200
            4.50366939910876         0.05386799363000
            1.86846419637602         0.20721391490000
            0.87975277617966         0.42662690920000
            0.44451252072594         0.38431002040000
            0.22900582158418         0.08902827546000
   1 0 0   6 1
            7.77528535827631         0.00137481748800
            0.86722660631134        -0.08666390043000
            0.41317265853959        -0.31306273090000
            0.12693291393621         0.78127873970000
            0.07608279473207         0.43892479880000
            0.04507372673402         0.02487178756000
   2 1 1   6 1
            9.41322731526244        -0.00166591357500
            3.13585396759559        -0.01657464971000
            1.34539746046062        -0.05958513378000
            0.34850451560117         0.40531155540000
            0.19530768258169         0.54339581890000
            0.11096015992901         0.12049704910000
#
Cu GFN2-GTH-q11 GFN2-xTB-GTH-q11 GFN2-xTB-STO6G-GTH-q11 GFN2-UZH-q11 GFN2-xTB-UZH-q11 GFN2-xTB-STO6G-UZH-q11 GFN2-q11 GFN2-xTB-q11 GFN2-xTB-STO6G-q11
  3
   3 2 2   6 1
           14.04057353015881         0.00728382811200
            4.50366939910876         0.05386799363000
            1.86846419637602         0.20721391490000
            0.87975277617966         0.42662690920000
            0.44451252072594         0.38431002040000
            0.22900582158418         0.08902827546000
   1 0 0   6 1
            7.77528535827631         0.00137481748800
            0.86722660631134        -0.08666390043000
            0.41317265853959        -0.31306273090000
            0.12693291393621         0.78127873970000
            0.07608279473207         0.43892479880000
            0.04507372673402         0.02487178756000
   2 1 1   6 1
            9.41322731526244        -0.00166591357500
            3.13585396759559        -0.01657464971000
            1.34539746046062        -0.05958513378000
            0.34850451560117         0.40531155540000
            0.19530768258169         0.54339581890000
            0.11096015992901         0.12049704910000
#
Cu GFN2-GTH-q19 GFN2-xTB-GTH-q19 GFN2-xTB-STO6G-GTH-q19 GFN2-UZH-q19 GFN2-xTB-UZH-q19 GFN2-xTB-STO6G-UZH-q19 GFN2-q19 GFN2-xTB-q19 GFN2-xTB-STO6G-q19
  3
   3 2 2   6 1
           14.04057353015881         0.00728382811200
            4.50366939910876         0.05386799363000
            1.86846419637602         0.20721391490000
            0.87975277617966         0.42662690920000
            0.44451252072594         0.38431002040000
            0.22900582158418         0.08902827546000
   1 0 0   6 1
            7.77528535827631         0.00137481748800
            0.86722660631134        -0.08666390043000
            0.41317265853959        -0.31306273090000
            0.12693291393621         0.78127873970000
            0.07608279473207         0.43892479880000
            0.04507372673402         0.02487178756000
   2 1 1   6 1
            9.41322731526244        -0.00166591357500
            3.13585396759559        -0.01657464971000
            1.34539746046062        -0.05958513378000
            0.34850451560117         0.40531155540000
            0.19530768258169         0.54339581890000
            0.11096015992901         0.12049704910000
#
Zn GFN2-GTH-q2 GFN2-xTB-GTH-q2 GFN2-xTB-STO6G-GTH-q2 GFN2-UZH-q2 GFN2-xTB-UZH-q2 GFN2-xTB-STO6G-UZH-q2 GFN2-q2 GFN2-xTB-q2 GFN2-xTB-STO6G-q2
  2
   1 0 0   6 1
            8.96050909212312         0.00137481748800
            0.99942208326956        -0.08666390043000
            0.47615453232465        -0.31306273090000
            0.14628190182170         0.78127873970000
            0.08768045705553         0.43892479880000
            0.05194452931379         0.02487178756000
   2 1 1   6 1
            3.30736882984709        -0.00166591357500
            1.10179275608929        -0.01657464971000
            0.47270988742280        -0.05958513378000
            0.12244822454159         0.40531155540000
            0.06862200603113         0.54339581890000
            0.03898622247325         0.12049704910000
#
Zn GFN2-GTH-q12 GFN2-xTB-GTH-q12 GFN2-xTB-STO6G-GTH-q12 GFN2-UZH-q12 GFN2-xTB-UZH-q12 GFN2-xTB-STO6G-UZH-q12 GFN2-q12 GFN2-xTB-q12 GFN2-xTB-STO6G-q12
  2
   1 0 0   6 1
            8.96050909212312         0.00137481748800
            0.99942208326956        -0.08666390043000
            0.47615453232465        -0.31306273090000
            0.14628190182170         0.78127873970000
            0.08768045705553         0.43892479880000
            0.05194452931379         0.02487178756000
   2 1 1   6 1
            3.30736882984709        -0.00166591357500
            1.10179275608929        -0.01657464971000
            0.47270988742280        -0.05958513378000
            0.12244822454159         0.40531155540000
            0.06862200603113         0.54339581890000
            0.03898622247325         0.12049704910000
#
Zn GFN2-GTH-q20 GFN2-xTB-GTH-q20 GFN2-xTB-STO6G-GTH-q20 GFN2-UZH-q20 GFN2-xTB-UZH-q20 GFN2-xTB-STO6G-UZH-q20 GFN2-q20 GFN2-xTB-q20 GFN2-xTB-STO6G-q20
  2
   1 0 0   6 1
            8.96050909212312         0.00137481748800
            0.99942208326956        -0.08666390043000
            0.47615453232465        -0.31306273090000
            0.14628190182170         0.78127873970000
            0.08768045705553         0.43892479880000
            0.05194452931379         0.02487178756000
   2 1 1   6 1
            3.30736882984709        -0.00166591357500
            1.10179275608929        -0.01657464971000
            0.47270988742280        -0.05958513378000
            0.12244822454159         0.40531155540000
            0.06862200603113         0.54339581890000
            0.03898622247325         0.12049704910000
#
Ga GFN2-GTH-q3 GFN2-xTB-GTH-q3 GFN2-xTB-STO6G-GTH-q3 GFN2-UZH-q3 GFN2-xTB-UZH-q3 GFN2-xTB-STO6G-UZH-q3 GFN2-q3 GFN2-xTB-q3 GFN2-xTB-STO6G-q3
  3
   1 0 0   6 1
            9.57425274743776         0.00137481748800
            1.06787678336325        -0.08666390043000
            0.50876839613072        -0.31306273090000
            0.15630137596177         0.78127873970000
            0.09368606718992         0.43892479880000
            0.05550243266134         0.02487178756000
   2 1 1   6 1
            6.05339457013571        -0.00166591357500
            2.01658376499670        -0.01657464971000
            0.86518910136397        -0.05958513378000
            0.22411392732303         0.40531155540000
            0.12559714385404         0.54339581890000
            0.07135550934020         0.12049704910000
   3 2 2   6 1
            5.10924896055000        -0.00047498428760
            1.47916724523750        -0.00356677789100
            0.24360763133700         0.11086704810000
            0.12143684071575         0.41596469300000
            0.06509369882925         0.46216725170000
            0.03563973347917         0.10812501960000
#
Ga GFN2-GTH-q13 GFN2-xTB-GTH-q13 GFN2-xTB-STO6G-GTH-q13 GFN2-UZH-q13 GFN2-xTB-UZH-q13 GFN2-xTB-STO6G-UZH-q13 GFN2-q13 GFN2-xTB-q13 GFN2-xTB-STO6G-q13
  3
   1 0 0   6 1
            9.57425274743776         0.00137481748800
            1.06787678336325        -0.08666390043000
            0.50876839613072        -0.31306273090000
            0.15630137596177         0.78127873970000
            0.09368606718992         0.43892479880000
            0.05550243266134         0.02487178756000
   2 1 1   6 1
            6.05339457013571        -0.00166591357500
            2.01658376499670        -0.01657464971000
            0.86518910136397        -0.05958513378000
            0.22411392732303         0.40531155540000
            0.12559714385404         0.54339581890000
            0.07135550934020         0.12049704910000
   3 2 2   6 1
            5.10924896055000        -0.00047498428760
            1.47916724523750        -0.00356677789100
            0.24360763133700         0.11086704810000
            0.12143684071575         0.41596469300000
            0.06509369882925         0.46216725170000
            0.03563973347917         0.10812501960000
#
Ga GFN2-GTH-q21 GFN2-xTB-GTH-q21 GFN2-xTB-STO6G-GTH-q21 GFN2-UZH-q21 GFN2-xTB-UZH-q21 GFN2-xTB-STO6G-UZH-q21 GFN2-q21 GFN2-xTB-q21 GFN2-xTB-STO6G-q21
  3
   1 0 0   6 1
            9.57425274743776         0.00137481748800
            1.06787678336325        -0.08666390043000
            0.50876839613072        -0.31306273090000
            0.15630137596177         0.78127873970000
            0.09368606718992         0.43892479880000
            0.05550243266134         0.02487178756000
   2 1 1   6 1
            6.05339457013571        -0.00166591357500
            2.01658376499670        -0.01657464971000
            0.86518910136397        -0.05958513378000
            0.22411392732303         0.40531155540000
            0.12559714385404         0.54339581890000
            0.07135550934020         0.12049704910000
   3 2 2   6 1
            5.10924896055000        -0.00047498428760
            1.47916724523750        -0.00356677789100
            0.24360763133700         0.11086704810000
            0.12143684071575         0.41596469300000
            0.06509369882925         0.46216725170000
            0.03563973347917         0.10812501960000
#
Ge GFN2-GTH-q4 GFN2-xTB-GTH-q4 GFN2-xTB-STO6G-GTH-q4 GFN2-UZH-q4 GFN2-xTB-UZH-q4 GFN2-xTB-STO6G-UZH-q4 GFN2-q4 GFN2-xTB-q4 GFN2-xTB-STO6G-q4
  3
   1 0 0   6 1
           12.80788473036041         0.00137481748800
            1.42854414943295        -0.08666390043000
            0.68060110214204        -0.31306273090000
            0.20909099219789         0.78127873970000
            0.12532783299777         0.43892479880000
            0.07424796258605         0.02487178756000
   2 1 1   6 1
            8.00591612249797        -0.00166591357500
            2.66703256982516        -0.01657464971000
            1.14425572220119        -0.05958513378000
            0.29640184251059         0.40531155540000
            0.16610848463133         0.54339581890000
            0.09437121866698         0.12049704910000
   3 2 2   6 1
            5.60742969820000        -0.00047498428760
            1.62339443695000        -0.00356677789100
            0.26736075638800         0.11086704810000
            0.13327762110300         0.41596469300000
            0.07144070347700         0.46216725170000
            0.03911480953270         0.10812501960000
#
Ge GFN2-GTH-q14 GFN2-xTB-GTH-q14 GFN2-xTB-STO6G-GTH-q14 GFN2-UZH-q14 GFN2-xTB-UZH-q14 GFN2-xTB-STO6G-UZH-q14 GFN2-q14 GFN2-xTB-q14 GFN2-xTB-STO6G-q14
  3
   1 0 0   6 1
           12.80788473036041         0.00137481748800
            1.42854414943295        -0.08666390043000
            0.68060110214204        -0.31306273090000
            0.20909099219789         0.78127873970000
            0.12532783299777         0.43892479880000
            0.07424796258605         0.02487178756000
   2 1 1   6 1
            8.00591612249797        -0.00166591357500
            2.66703256982516        -0.01657464971000
            1.14425572220119        -0.05958513378000
            0.29640184251059         0.40531155540000
            0.16610848463133         0.54339581890000
            0.09437121866698         0.12049704910000
   3 2 2   6 1
            5.60742969820000        -0.00047498428760
            1.62339443695000        -0.00356677789100
            0.26736075638800         0.11086704810000
            0.13327762110300         0.41596469300000
            0.07144070347700         0.46216725170000
            0.03911480953270         0.10812501960000
#
Ge GFN2-GTH-q22 GFN2-xTB-GTH-q22 GFN2-xTB-STO6G-GTH-q22 GFN2-UZH-q22 GFN2-xTB-UZH-q22 GFN2-xTB-STO6G-UZH-q22 GFN2-q22 GFN2-xTB-q22 GFN2-xTB-STO6G-q22
  3
   1 0 0   6 1
           12.80788473036041         0.00137481748800
            1.42854414943295        -0.08666390043000
            0.68060110214204        -0.31306273090000
            0.20909099219789         0.78127873970000
            0.12532783299777         0.43892479880000
            0.07424796258605         0.02487178756000
   2 1 1   6 1
            8.00591612249797        -0.00166591357500
            2.66703256982516        -0.01657464971000
            1.14425572220119        -0.05958513378000
            0.29640184251059         0.40531155540000
            0.16610848463133         0.54339581890000
            0.09437121866698         0.12049704910000
   3 2 2   6 1
            5.60742969820000        -0.00047498428760
            1.62339443695000        -0.00356677789100
            0.26736075638800         0.11086704810000
            0.13327762110300         0.41596469300000
            0.07144070347700         0.46216725170000
            0.03911480953270         0.10812501960000
#
As GFN2-GTH-q5 GFN2-xTB-GTH-q5 GFN2-xTB-STO6G-GTH-q5 GFN2-UZH-q5 GFN2-xTB-UZH-q5 GFN2-xTB-STO6G-UZH-q5 GFN2-q5 GFN2-xTB-q5 GFN2-xTB-STO6G-q5
  3
   1 0 0   6 1
           13.27143198623630         0.00137481748800
            1.48024649797123        -0.08666390043000
            0.70523364528916        -0.31306273090000
            0.21665848345052         0.78127873970000
            0.12986373992495         0.43892479880000
            0.07693516972725         0.02487178756000
   2 1 1   6 1
            9.07999687495880        -0.00166591357500
            3.02484400646829        -0.01657464971000
            1.29777007687394        -0.05958513378000
            0.33616737454507         0.40531155540000
            0.18839374511034         0.54339581890000
            0.10703214441308         0.12049704910000
   3 2 2   6 1
            5.01413820695116        -0.00047498428760
            1.45163194357584        -0.00356677789100
            0.23907277590565         0.11086704810000
            0.11917624438852         0.41596469300000
            0.06388195307210         0.46216725170000
            0.03497628530207         0.10812501960000
#
As GFN2-GTH-q15 GFN2-xTB-GTH-q15 GFN2-xTB-STO6G-GTH-q15 GFN2-UZH-q15 GFN2-xTB-UZH-q15 GFN2-xTB-STO6G-UZH-q15 GFN2-q15 GFN2-xTB-q15 GFN2-xTB-STO6G-q15
  3
   1 0 0   6 1
           13.27143198623630         0.00137481748800
            1.48024649797123        -0.08666390043000
            0.70523364528916        -0.31306273090000
            0.21665848345052         0.78127873970000
            0.12986373992495         0.43892479880000
            0.07693516972725         0.02487178756000
   2 1 1   6 1
            9.07999687495880        -0.00166591357500
            3.02484400646829        -0.01657464971000
            1.29777007687394        -0.05958513378000
            0.33616737454507         0.40531155540000
            0.18839374511034         0.54339581890000
            0.10703214441308         0.12049704910000
   3 2 2   6 1
            5.01413820695116        -0.00047498428760
            1.45163194357584        -0.00356677789100
            0.23907277590565         0.11086704810000
            0.11917624438852         0.41596469300000
            0.06388195307210         0.46216725170000
            0.03497628530207         0.10812501960000
#
As GFN2-GTH-q23 GFN2-xTB-GTH-q23 GFN2-xTB-STO6G-GTH-q23 GFN2-UZH-q23 GFN2-xTB-UZH-q23 GFN2-xTB-STO6G-UZH-q23 GFN2-q23 GFN2-xTB-q23 GFN2-xTB-STO6G-q23
  3
   1 0 0   6 1
           13.27143198623630         0.00137481748800
            1.48024649797123        -0.08666390043000
            0.70523364528916        -0.31306273090000
            0.21665848345052         0.78127873970000
            0.12986373992495         0.43892479880000
            0.07693516972725         0.02487178756000
   2 1 1   6 1
            9.07999687495880        -0.00166591357500
            3.02484400646829        -0.01657464971000
            1.29777007687394        -0.05958513378000
            0.33616737454507         0.40531155540000
            0.18839374511034         0.54339581890000
            0.10703214441308         0.12049704910000
   3 2 2   6 1
            5.01413820695116        -0.00047498428760
            1.45163194357584        -0.00356677789100
            0.23907277590565         0.11086704810000
            0.11917624438852         0.41596469300000
            0.06388195307210         0.46216725170000
            0.03497628530207         0.10812501960000
#
Se GFN2-GTH-q6 GFN2-xTB-GTH-q6 GFN2-xTB-STO6G-GTH-q6 GFN2-UZH-q6 GFN2-xTB-UZH-q6 GFN2-xTB-STO6G-UZH-q6 GFN2-q6 GFN2-xTB-q6 GFN2-xTB-STO6G-q6
  3
   1 0 0   6 1
           16.09055782629277         0.00137481748800
            1.79468138008580        -0.08666390043000
            0.85503981502079        -0.31306273090000
            0.26268121331089         0.78127873970000
            0.15744947636156         0.43892479880000
            0.09327778635009         0.02487178756000
   2 1 1   6 1
           11.05323475964953        -0.00166591357500
            3.68219409931950        -0.01657464971000
            1.57979760580051        -0.05958513378000
            0.40922226742490         0.40531155540000
            0.22933491284528         0.54339581890000
            0.13029205134301         0.12049704910000
   3 2 2   6 1
            8.04474011018190        -0.00047498428760
            2.32901472590375        -0.00356677789100
            0.38357106848679         0.11086704810000
            0.19120771583121         0.41596469300000
            0.10249292879151         0.46216725170000
            0.05611634814625         0.10812501960000
#
Se GFN2-GTH-q16 GFN2-xTB-GTH-q16 GFN2-xTB-STO6G-GTH-q16 GFN2-UZH-q16 GFN2-xTB-UZH-q16 GFN2-xTB-STO6G-UZH-q16 GFN2-q16 GFN2-xTB-q16 GFN2-xTB-STO6G-q16
  3
   1 0 0   6 1
           16.09055782629277         0.00137481748800
            1.79468138008580        -0.08666390043000
            0.85503981502079        -0.31306273090000
            0.26268121331089         0.78127873970000
            0.15744947636156         0.43892479880000
            0.09327778635009         0.02487178756000
   2 1 1   6 1
           11.05323475964953        -0.00166591357500
            3.68219409931950        -0.01657464971000
            1.57979760580051        -0.05958513378000
            0.40922226742490         0.40531155540000
            0.22933491284528         0.54339581890000
            0.13029205134301         0.12049704910000
   3 2 2   6 1
            8.04474011018190        -0.00047498428760
            2.32901472590375        -0.00356677789100
            0.38357106848679         0.11086704810000
            0.19120771583121         0.41596469300000
            0.10249292879151         0.46216725170000
            0.05611634814625         0.10812501960000
#
Se GFN2-GTH-q24 GFN2-xTB-GTH-q24 GFN2-xTB-STO6G-GTH-q24 GFN2-UZH-q24 GFN2-xTB-UZH-q24 GFN2-xTB-STO6G-UZH-q24 GFN2-q24 GFN2-xTB-q24 GFN2-xTB-STO6G-q24
  3
   1 0 0   6 1
           16.09055782629277         0.00137481748800
            1.79468138008580        -0.08666390043000
            0.85503981502079        -0.31306273090000
            0.26268121331089         0.78127873970000
            0.15744947636156         0.43892479880000
            0.09327778635009         0.02487178756000
   2 1 1   6 1
           11.05323475964953        -0.00166591357500
            3.68219409931950        -0.01657464971000
            1.57979760580051        -0.05958513378000
            0.40922226742490         0.40531155540000
            0.22933491284528         0.54339581890000
            0.13029205134301         0.12049704910000
   3 2 2   6 1
            8.04474011018190        -0.00047498428760
            2.32901472590375        -0.00356677789100
            0.38357106848679         0.11086704810000
            0.19120771583121         0.41596469300000
            0.10249292879151         0.46216725170000
            0.05611634814625         0.10812501960000
#
Br GFN2-GTH-q7 GFN2-xTB-GTH-q7 GFN2-xTB-STO6G-GTH-q7 GFN2-UZH-q7 GFN2-xTB-UZH-q7 GFN2-xTB-STO6G-UZH-q7 GFN2-q7 GFN2-xTB-q7 GFN2-xTB-STO6G-q7
  3
   1 0 0   6 1
           13.95412044852484         0.00137481748800
            1.55639104714693        -0.08666390043000
            0.74151118288691        -0.31306273090000
            0.22780349380524         0.78127873970000
            0.13654398942691         0.43892479880000
            0.08089274964564         0.02487178756000
   2 1 1   6 1
           12.23947133046073        -0.00166591357500
            4.07736830817495        -0.01657464971000
            1.74934197314913        -0.05958513378000
            0.45314012765002         0.40531155540000
            0.25394720657616         0.54339581890000
            0.14427503456466         0.12049704910000
   3 2 2   6 1
           15.77571666140881        -0.00047498428760
            4.56719246524864        -0.00356677789100
            0.75218197394627         0.11086704810000
            0.37495788640961         0.41596469300000
            0.20098839518339         0.46216725170000
            0.11004402830961         0.10812501960000
#
Br GFN2-GTH-q17 GFN2-xTB-GTH-q17 GFN2-xTB-STO6G-GTH-q17 GFN2-UZH-q17 GFN2-xTB-UZH-q17 GFN2-xTB-STO6G-UZH-q17 GFN2-q17 GFN2-xTB-q17 GFN2-xTB-STO6G-q17
  3
   1 0 0   6 1
           13.95412044852484         0.00137481748800
            1.55639104714693        -0.08666390043000
            0.74151118288691        -0.31306273090000
            0.22780349380524         0.78127873970000
            0.13654398942691         0.43892479880000
            0.08089274964564         0.02487178756000
   2 1 1   6 1
           12.23947133046073        -0.00166591357500
            4.07736830817495        -0.01657464971000
            1.74934197314913        -0.05958513378000
            0.45314012765002         0.40531155540000
            0.25394720657616         0.54339581890000
            0.14427503456466         0.12049704910000
   3 2 2   6 1
           15.77571666140881        -0.00047498428760
            4.56719246524864        -0.00356677789100
            0.75218197394627         0.11086704810000
            0.37495788640961         0.41596469300000
            0.20098839518339         0.46216725170000
            0.11004402830961         0.10812501960000
#
Br GFN2-GTH-q25 GFN2-xTB-GTH-q25 GFN2-xTB-STO6G-GTH-q25 GFN2-UZH-q25 GFN2-xTB-UZH-q25 GFN2-xTB-STO6G-UZH-q25 GFN2-q25 GFN2-xTB-q25 GFN2-xTB-STO6G-q25
  3
   1 0 0   6 1
           13.95412044852484         0.00137481748800
            1.55639104714693        -0.08666390043000
            0.74151118288691        -0.31306273090000
            0.22780349380524         0.78127873970000
            0.13654398942691         0.43892479880000
            0.08089274964564         0.02487178756000
   2 1 1   6 1
           12.23947133046073        -0.00166591357500
            4.07736830817495        -0.01657464971000
            1.74934197314913        -0.05958513378000
            0.45314012765002         0.40531155540000
            0.25394720657616         0.54339581890000
            0.14427503456466         0.12049704910000
   3 2 2   6 1
           15.77571666140881        -0.00047498428760
            4.56719246524864        -0.00356677789100
            0.75218197394627         0.11086704810000
            0.37495788640961         0.41596469300000
            0.20098839518339         0.46216725170000
            0.11004402830961         0.10812501960000
#
Kr GFN2-GTH-q8 GFN2-xTB-GTH-q8 GFN2-xTB-STO6G-GTH-q8 GFN2-UZH-q8 GFN2-xTB-UZH-q8 GFN2-xTB-STO6G-UZH-q8 GFN2-q8 GFN2-xTB-q8 GFN2-xTB-STO6G-q8
  3
   1 0 0   6 1
           19.33674157668442         0.00137481748800
            2.15674872393172        -0.08666390043000
            1.02753951226080        -0.31306273090000
            0.31567573937944         0.78127873970000
            0.18921406384140         0.43892479880000
            0.11209607951252         0.02487178756000
   2 1 1   6 1
           11.67686273329410        -0.00166591357500
            3.88994497900836        -0.01657464971000
            1.66893042538655        -0.05958513378000
            0.43231075318982         0.40531155540000
            0.24227408134153         0.54339581890000
            0.13764318155311         0.12049704910000
   3 2 2   6 1
           16.46633812376135        -0.00047498428760
            4.76713274098340        -0.00356677789100
            0.78511062156028         0.11086704810000
            0.39137260590481         0.41596469300000
            0.20978716498742         0.46216725170000
            0.11486148094174         0.10812501960000
#
Kr GFN2-GTH-q18 GFN2-xTB-GTH-q18 GFN2-xTB-STO6G-GTH-q18 GFN2-UZH-q18 GFN2-xTB-UZH-q18 GFN2-xTB-STO6G-UZH-q18 GFN2-q18 GFN2-xTB-q18 GFN2-xTB-STO6G-q18
  3
   1 0 0   6 1
           19.33674157668442         0.00137481748800
            2.15674872393172        -0.08666390043000
            1.02753951226080        -0.31306273090000
            0.31567573937944         0.78127873970000
            0.18921406384140         0.43892479880000
            0.11209607951252         0.02487178756000
   2 1 1   6 1
           11.67686273329410        -0.00166591357500
            3.88994497900836        -0.01657464971000
            1.66893042538655        -0.05958513378000
            0.43231075318982         0.40531155540000
            0.24227408134153         0.54339581890000
            0.13764318155311         0.12049704910000
   3 2 2   6 1
           16.46633812376135        -0.00047498428760
            4.76713274098340        -0.00356677789100
            0.78511062156028         0.11086704810000
            0.39137260590481         0.41596469300000
            0.20978716498742         0.46216725170000
            0.11486148094174         0.10812501960000
#
Kr GFN2-GTH-q26 GFN2-xTB-GTH-q26 GFN2-xTB-STO6G-GTH-q26 GFN2-UZH-q26 GFN2-xTB-UZH-q26 GFN2-xTB-STO6G-UZH-q26 GFN2-q26 GFN2-xTB-q26 GFN2-xTB-STO6G-q26
  3
   1 0 0   6 1
           19.33674157668442         0.00137481748800
            2.15674872393172        -0.08666390043000
            1.02753951226080        -0.31306273090000
            0.31567573937944         0.78127873970000
            0.18921406384140         0.43892479880000
            0.11209607951252         0.02487178756000
   2 1 1   6 1
           11.67686273329410        -0.00166591357500
            3.88994497900836        -0.01657464971000
            1.66893042538655        -0.05958513378000
            0.43231075318982         0.40531155540000
            0.24227408134153         0.54339581890000
            0.13764318155311         0.12049704910000
   3 2 2   6 1
           16.46633812376135        -0.00047498428760
            4.76713274098340        -0.00356677789100
            0.78511062156028         0.11086704810000
            0.39137260590481         0.41596469300000
            0.20978716498742         0.46216725170000
            0.11486148094174         0.10812501960000
#
Rb GFN2-GTH-q1 GFN2-xTB-GTH-q1 GFN2-xTB-STO6G-GTH-q1 GFN2-UZH-q1 GFN2-xTB-UZH-q1 GFN2-xTB-STO6G-UZH-q1 GFN2-q1 GFN2-xTB-q1 GFN2-xTB-STO6G-q1
  2
   1 0 0   6 1
            1.45924609739258         0.00269543958200
            0.52547523514387         0.01850157487000
            0.19122941221930        -0.09588628125000
            0.10980299633364        -0.52006735600000
            0.03797404430100         1.08761949000000
            0.02290661427694         0.31039643430000
   2 1 1   6 1
            2.86089482024653         0.00011632463870
            0.26492763277321        -0.02920771322000
            0.12743762752229        -0.13810512330000
            0.04091563632208         0.57061348770000
            0.02520406398285         0.47688081400000
            0.01562568457717         0.06021665516000
#
Rb GFN2-GTH-q9 GFN2-xTB-GTH-q9 GFN2-xTB-STO6G-GTH-q9 GFN2-UZH-q9 GFN2-xTB-UZH-q9 GFN2-xTB-STO6G-UZH-q9 GFN2-q9 GFN2-xTB-q9 GFN2-xTB-STO6G-q9
  2
   1 0 0   6 1
            1.45924609739258         0.00269543958200
            0.52547523514387         0.01850157487000
            0.19122941221930        -0.09588628125000
            0.10980299633364        -0.52006735600000
            0.03797404430100         1.08761949000000
            0.02290661427694         0.31039643430000
   2 1 1   6 1
            2.86089482024653         0.00011632463870
            0.26492763277321        -0.02920771322000
            0.12743762752229        -0.13810512330000
            0.04091563632208         0.57061348770000
            0.02520406398285         0.47688081400000
            0.01562568457717         0.06021665516000
#
Sr GFN2-GTH-q2 GFN2-xTB-GTH-q2 GFN2-xTB-STO6G-GTH-q2 GFN2-UZH-q2 GFN2-xTB-UZH-q2 GFN2-xTB-STO6G-UZH-q2 GFN2-q2 GFN2-xTB-q2 GFN2-xTB-STO6G-q2
  3
   1 0 0   6 1
            2.83949140138979         0.00269543958200
            1.02250224585175         0.01850157487000
            0.37210602972300        -0.09588628125000
            0.21366146840708        -0.52006735600000
            0.07389224645614         1.08761949000000
            0.04457310825812         0.31039643430000
   2 1 1   6 1
            3.26062950640112         0.00011632463870
            0.30194429042550        -0.02920771322000
            0.14524367886028        -0.13810512330000
            0.04663251865144         0.57061348770000
            0.02872566797007         0.47688081400000
            0.01780896236711         0.06021665516000
   3 2 2   6 1
           10.42703869500000        -0.00047498428760
            3.01870866375000        -0.00356677789100
            0.49715843130000         0.11086704810000
            0.24783028717500         0.41596469300000
            0.13284428332500         0.46216725170000
            0.07273414995750         0.10812501960000
#
Sr GFN2-GTH-q10 GFN2-xTB-GTH-q10 GFN2-xTB-STO6G-GTH-q10 GFN2-UZH-q10 GFN2-xTB-UZH-q10 GFN2-xTB-STO6G-UZH-q10 GFN2-q10 GFN2-xTB-q10 GFN2-xTB-STO6G-q10
  3
   1 0 0   6 1
            2.83949140138979         0.00269543958200
            1.02250224585175         0.01850157487000
            0.37210602972300        -0.09588628125000
            0.21366146840708        -0.52006735600000
            0.07389224645614         1.08761949000000
            0.04457310825812         0.31039643430000
   2 1 1   6 1
            3.26062950640112         0.00011632463870
            0.30194429042550        -0.02920771322000
            0.14524367886028        -0.13810512330000
            0.04663251865144         0.57061348770000
            0.02872566797007         0.47688081400000
            0.01780896236711         0.06021665516000
   3 2 2   6 1
           10.42703869500000        -0.00047498428760
            3.01870866375000        -0.00356677789100
            0.49715843130000         0.11086704810000
            0.24783028717500         0.41596469300000
            0.13284428332500         0.46216725170000
            0.07273414995750         0.10812501960000
#
Y GFN2-GTH-q3 GFN2-xTB-GTH-q3 GFN2-xTB-STO6G-GTH-q3 GFN2-UZH-q3 GFN2-xTB-UZH-q3 GFN2-xTB-STO6G-UZH-q3 GFN2-q3 GFN2-xTB-q3 GFN2-xTB-STO6G-q3
  3
   3 2 2   6 1
           33.04051879760021        -0.00047498428760
            9.56548673756605        -0.00356677789100
            1.57536314722126         0.11086704810000
            0.78530841800240         0.41596469300000
            0.42094828347171         0.46216725170000
            0.23047522112396         0.10812501960000
   1 0 0   6 1
            3.76440910258657         0.00269543958200
            1.35556556354267         0.01850157487000
            0.49331345913955        -0.09588628125000
            0.28325818354299        -0.52006735600000
            0.09796143247129         1.08761949000000
            0.05909206640855         0.31039643430000
   2 1 1   6 1
            5.13207007746990         0.00011632463870
            0.47524542574171        -0.02920771322000
            0.22860638927457        -0.13810512330000
            0.07339728513720         0.57061348770000
            0.04521278506348         0.47688081400000
            0.02803042869348         0.06021665516000
#
Y GFN2-GTH-q11 GFN2-xTB-GTH-q11 GFN2-xTB-STO6G-GTH-q11 GFN2-UZH-q11 GFN2-xTB-UZH-q11 GFN2-xTB-STO6G-UZH-q11 GFN2-q11 GFN2-xTB-q11 GFN2-xTB-STO6G-q11
  3
   3 2 2   6 1
           33.04051879760021        -0.00047498428760
            9.56548673756605        -0.00356677789100
            1.57536314722126         0.11086704810000
            0.78530841800240         0.41596469300000
            0.42094828347171         0.46216725170000
            0.23047522112396         0.10812501960000
   1 0 0   6 1
            3.76440910258657         0.00269543958200
            1.35556556354267         0.01850157487000
            0.49331345913955        -0.09588628125000
            0.28325818354299        -0.52006735600000
            0.09796143247129         1.08761949000000
            0.05909206640855         0.31039643430000
   2 1 1   6 1
            5.13207007746990         0.00011632463870
            0.47524542574171        -0.02920771322000
            0.22860638927457        -0.13810512330000
            0.07339728513720         0.57061348770000
            0.04521278506348         0.47688081400000
            0.02803042869348         0.06021665516000
#
Zr GFN2-GTH-q4 GFN2-xTB-GTH-q4 GFN2-xTB-STO6G-GTH-q4 GFN2-UZH-q4 GFN2-xTB-UZH-q4 GFN2-xTB-STO6G-UZH-q4 GFN2-q4 GFN2-xTB-q4 GFN2-xTB-STO6G-q4
  3
   3 2 2   6 1
           23.22511376102547        -0.00047498428760
            6.72385076700695        -0.00356677789100
            1.10736724605542         0.11086704810000
            0.55201546493033         0.41596469300000
            0.29589643646422         0.46216725170000
            0.16200754178504         0.10812501960000
   1 0 0   6 1
            4.08716965588182         0.00269543958200
            1.47179179703478         0.01850157487000
            0.53561017043760        -0.09588628125000
            0.30754474899172        -0.52006735600000
            0.10636064873190         1.08761949000000
            0.06415862201652         0.31039643430000
   2 1 1   6 1
            4.82142354902884         0.00011632463870
            0.44647860466648        -0.02920771322000
            0.21476874089183        -0.13810512330000
            0.06895451419279         0.57061348770000
            0.04247603468612         0.47688081400000
            0.02633373413692         0.06021665516000
#
Zr GFN2-GTH-q12 GFN2-xTB-GTH-q12 GFN2-xTB-STO6G-GTH-q12 GFN2-UZH-q12 GFN2-xTB-UZH-q12 GFN2-xTB-STO6G-UZH-q12 GFN2-q12 GFN2-xTB-q12 GFN2-xTB-STO6G-q12
  3
   3 2 2   6 1
           23.22511376102547        -0.00047498428760
            6.72385076700695        -0.00356677789100
            1.10736724605542         0.11086704810000
            0.55201546493033         0.41596469300000
            0.29589643646422         0.46216725170000
            0.16200754178504         0.10812501960000
   1 0 0   6 1
            4.08716965588182         0.00269543958200
            1.47179179703478         0.01850157487000
            0.53561017043760        -0.09588628125000
            0.30754474899172        -0.52006735600000
            0.10636064873190         1.08761949000000
            0.06415862201652         0.31039643430000
   2 1 1   6 1
            4.82142354902884         0.00011632463870
            0.44647860466648        -0.02920771322000
            0.21476874089183        -0.13810512330000
            0.06895451419279         0.57061348770000
            0.04247603468612         0.47688081400000
            0.02633373413692         0.06021665516000
#
Nb GFN2-GTH-q5 GFN2-xTB-GTH-q5 GFN2-xTB-STO6G-GTH-q5 GFN2-UZH-q5 GFN2-xTB-UZH-q5 GFN2-xTB-STO6G-UZH-q5 GFN2-q5 GFN2-xTB-q5 GFN2-xTB-STO6G-q5
  3
   3 2 2   6 1
           13.50081605323653        -0.00047498428760
            3.90859107554124        -0.00356677789100
            0.64371531809079         0.11086704810000
            0.32088795461888         0.41596469300000
            0.17200533011879         0.46216725170000
            0.09417538460230         0.10812501960000
   1 0 0   6 1
            3.91606578805886         0.00269543958200
            1.41017721033898         0.01850157487000
            0.51318757007519        -0.09588628125000
            0.29466980116434        -0.52006735600000
            0.10190800303465         1.08761949000000
            0.06147270748262         0.31039643430000
   2 1 1   6 1
            4.84349021636219         0.00011632463870
            0.44852204572500        -0.02920771322000
            0.21575169339760        -0.13810512330000
            0.06927010487059         0.57061348770000
            0.04267043879054         0.47688081400000
            0.02645425824042         0.06021665516000
#
Nb GFN2-GTH-q13 GFN2-xTB-GTH-q13 GFN2-xTB-STO6G-GTH-q13 GFN2-UZH-q13 GFN2-xTB-UZH-q13 GFN2-xTB-STO6G-UZH-q13 GFN2-q13 GFN2-xTB-q13 GFN2-xTB-STO6G-q13
  3
   3 2 2   6 1
           13.50081605323653        -0.00047498428760
            3.90859107554124        -0.00356677789100
            0.64371531809079         0.11086704810000
            0.32088795461888         0.41596469300000
            0.17200533011879         0.46216725170000
            0.09417538460230         0.10812501960000
   1 0 0   6 1
            3.91606578805886         0.00269543958200
            1.41017721033898         0.01850157487000
            0.51318757007519        -0.09588628125000
            0.29466980116434        -0.52006735600000
            0.10190800303465         1.08761949000000
            0.06147270748262         0.31039643430000
   2 1 1   6 1
            4.84349021636219         0.00011632463870
            0.44852204572500        -0.02920771322000
            0.21575169339760        -0.13810512330000
            0.06927010487059         0.57061348770000
            0.04267043879054         0.47688081400000
            0.02645425824042         0.06021665516000
#
Mo GFN2-GTH-q6 GFN2-xTB-GTH-q6 GFN2-xTB-STO6G-GTH-q6 GFN2-UZH-q6 GFN2-xTB-UZH-q6 GFN2-xTB-STO6G-UZH-q6 GFN2-q6 GFN2-xTB-q6 GFN2-xTB-STO6G-q6
  3
   3 2 2   6 1
           14.64451153311535        -0.00047498428760
            4.23969979727807        -0.00356677789100
            0.69824641433906         0.11086704810000
            0.34807135611091         0.41596469300000
            0.18657642847286         0.46216725170000
            0.10215326988426         0.10812501960000
   1 0 0   6 1
            3.79229718668733         0.00269543958200
            1.36560807630097         0.01850157487000
            0.49696810103993        -0.09588628125000
            0.28535666110736        -0.52006735600000
            0.09868716567216         1.08761949000000
            0.05952984149430         0.31039643430000
   2 1 1   6 1
            5.08259595031709         0.00011632463870
            0.47066396986387        -0.02920771322000
            0.22640258040209        -0.13810512330000
            0.07268972141287         0.57061348770000
            0.04477692525576         0.47688081400000
            0.02776021005414         0.06021665516000
#
Mo GFN2-GTH-q14 GFN2-xTB-GTH-q14 GFN2-xTB-STO6G-GTH-q14 GFN2-UZH-q14 GFN2-xTB-UZH-q14 GFN2-xTB-STO6G-UZH-q14 GFN2-q14 GFN2-xTB-q14 GFN2-xTB-STO6G-q14
  3
   3 2 2   6 1
           14.64451153311535        -0.00047498428760
            4.23969979727807        -0.00356677789100
            0.69824641433906         0.11086704810000
            0.34807135611091         0.41596469300000
            0.18657642847286         0.46216725170000
            0.10215326988426         0.10812501960000
   1 0 0   6 1
            3.79229718668733         0.00269543958200
            1.36560807630097         0.01850157487000
            0.49696810103993        -0.09588628125000
            0.28535666110736        -0.52006735600000
            0.09868716567216         1.08761949000000
            0.05952984149430         0.31039643430000
   2 1 1   6 1
            5.08259595031709         0.00011632463870
            0.47066396986387        -0.02920771322000
            0.22640258040209        -0.13810512330000
            0.07268972141287         0.57061348770000
            0.04477692525576         0.47688081400000
            0.02776021005414         0.06021665516000
#
Tc GFN2-GTH-q7 GFN2-xTB-GTH-q7 GFN2-xTB-STO6G-GTH-q7 GFN2-UZH-q7 GFN2-xTB-UZH-q7 GFN2-xTB-STO6G-UZH-q7 GFN2-q7 GFN2-xTB-q7 GFN2-xTB-STO6G-q7
  3
   3 2 2   6 1
           17.04926107448622        -0.00047498428760
            4.93589346136853        -0.00356677789100
            0.81290423278857         0.11086704810000
            0.40522754271907         0.41596469300000
            0.21721381639708         0.46216725170000
            0.11892767907833         0.10812501960000
   1 0 0   6 1
            5.18837619736806         0.00269543958200
            1.86833681254889         0.01850157487000
            0.67991967384264        -0.09588628125000
            0.39040656239896        -0.52006735600000
            0.13501740927810         1.08761949000000
            0.08144488615670         0.31039643430000
   2 1 1   6 1
            6.84662655849532         0.00011632463870
            0.63401861326312        -0.02920771322000
            0.30498074901982        -0.13810512330000
            0.09791834370070         0.57061348770000
            0.06031777632151         0.47688081400000
            0.03739502279622         0.06021665516000
#
Tc GFN2-GTH-q15 GFN2-xTB-GTH-q15 GFN2-xTB-STO6G-GTH-q15 GFN2-UZH-q15 GFN2-xTB-UZH-q15 GFN2-xTB-STO6G-UZH-q15 GFN2-q15 GFN2-xTB-q15 GFN2-xTB-STO6G-q15
  3
   3 2 2   6 1
           17.04926107448622        -0.00047498428760
            4.93589346136853        -0.00356677789100
            0.81290423278857         0.11086704810000
            0.40522754271907         0.41596469300000
            0.21721381639708         0.46216725170000
            0.11892767907833         0.10812501960000
   1 0 0   6 1
            5.18837619736806         0.00269543958200
            1.86833681254889         0.01850157487000
            0.67991967384264        -0.09588628125000
            0.39040656239896        -0.52006735600000
            0.13501740927810         1.08761949000000
            0.08144488615670         0.31039643430000
   2 1 1   6 1
            6.84662655849532         0.00011632463870
            0.63401861326312        -0.02920771322000
            0.30498074901982        -0.13810512330000
            0.09791834370070         0.57061348770000
            0.06031777632151         0.47688081400000
            0.03739502279622         0.06021665516000
#
Ru GFN2-GTH-q8 GFN2-xTB-GTH-q8 GFN2-xTB-STO6G-GTH-q8 GFN2-UZH-q8 GFN2-xTB-UZH-q8 GFN2-xTB-STO6G-UZH-q8 GFN2-q8 GFN2-xTB-q8 GFN2-xTB-STO6G-q8
  3
   3 2 2   6 1
           20.48952343437851        -0.00047498428760
            5.93187612674023        -0.00356677789100
            0.97693502697030         0.11086704810000
            0.48699584084750         0.41596469300000
            0.26104401603650         0.46216725170000
            0.14292534185650         0.10812501960000
   1 0 0   6 1
            4.31675613703609         0.00269543958200
            1.55446600146538         0.01850157487000
            0.56569672535324        -0.09588628125000
            0.32482030216502        -0.52006735600000
            0.11233519080664         1.08761949000000
            0.06776257132733         0.31039643430000
   2 1 1   6 1
            6.86943230746613         0.00011632463870
            0.63613049554754        -0.02920771322000
            0.30599662367629        -0.13810512330000
            0.09824450449639         0.57061348770000
            0.06051869162681         0.47688081400000
            0.03751958362853         0.06021665516000
#
Ru GFN2-GTH-q16 GFN2-xTB-GTH-q16 GFN2-xTB-STO6G-GTH-q16 GFN2-UZH-q16 GFN2-xTB-UZH-q16 GFN2-xTB-STO6G-UZH-q16 GFN2-q16 GFN2-xTB-q16 GFN2-xTB-STO6G-q16
  3
   3 2 2   6 1
           20.48952343437851        -0.00047498428760
            5.93187612674023        -0.00356677789100
            0.97693502697030         0.11086704810000
            0.48699584084750         0.41596469300000
            0.26104401603650         0.46216725170000
            0.14292534185650         0.10812501960000
   1 0 0   6 1
            4.31675613703609         0.00269543958200
            1.55446600146538         0.01850157487000
            0.56569672535324        -0.09588628125000
            0.32482030216502        -0.52006735600000
            0.11233519080664         1.08761949000000
            0.06776257132733         0.31039643430000
   2 1 1   6 1
            6.86943230746613         0.00011632463870
            0.63613049554754        -0.02920771322000
            0.30599662367629        -0.13810512330000
            0.09824450449639         0.57061348770000
            0.06051869162681         0.47688081400000
            0.03751958362853         0.06021665516000
#
Rh GFN2-GTH-q9 GFN2-xTB-GTH-q9 GFN2-xTB-STO6G-GTH-q9 GFN2-UZH-q9 GFN2-xTB-UZH-q9 GFN2-xTB-STO6G-UZH-q9 GFN2-q9 GFN2-xTB-q9 GFN2-xTB-STO6G-q9
  3
   3 2 2   6 1
           28.00324127641649        -0.00047498428760
            8.10715578285289        -0.00356677789100
            1.33518709496825         0.11086704810000
            0.66558219743569         0.41596469300000
            0.35677152708050         0.46216725170000
            0.19533752677753         0.10812501960000
   1 0 0   6 1
            4.62889384294221         0.00269543958200
            1.66686694240424         0.01850157487000
            0.60660134736221        -0.09588628125000
            0.34830753672980        -0.52006735600000
            0.12045796810463         1.08761949000000
            0.07266237407016         0.31039643430000
   2 1 1   6 1
            7.38973280261804         0.00011632463870
            0.68431191680631        -0.02920771322000
            0.32917323968873        -0.13810512330000
            0.10568568188158         0.57061348770000
            0.06510246271734         0.47688081400000
            0.04036136982950         0.06021665516000
#
Rh GFN2-GTH-q17 GFN2-xTB-GTH-q17 GFN2-xTB-STO6G-GTH-q17 GFN2-UZH-q17 GFN2-xTB-UZH-q17 GFN2-xTB-STO6G-UZH-q17 GFN2-q17 GFN2-xTB-q17 GFN2-xTB-STO6G-q17
  3
   3 2 2   6 1
           28.00324127641649        -0.00047498428760
            8.10715578285289        -0.00356677789100
            1.33518709496825         0.11086704810000
            0.66558219743569         0.41596469300000
            0.35677152708050         0.46216725170000
            0.19533752677753         0.10812501960000
   1 0 0   6 1
            4.62889384294221         0.00269543958200
            1.66686694240424         0.01850157487000
            0.60660134736221        -0.09588628125000
            0.34830753672980        -0.52006735600000
            0.12045796810463         1.08761949000000
            0.07266237407016         0.31039643430000
   2 1 1   6 1
            7.38973280261804         0.00011632463870
            0.68431191680631        -0.02920771322000
            0.32917323968873        -0.13810512330000
            0.10568568188158         0.57061348770000
            0.06510246271734         0.47688081400000
            0.04036136982950         0.06021665516000
#
Pd GFN2-GTH-q10 GFN2-xTB-GTH-q10 GFN2-xTB-STO6G-GTH-q10 GFN2-UZH-q10 GFN2-xTB-UZH-q10 GFN2-xTB-STO6G-UZH-q10 GFN2-q10 GFN2-xTB-q10 GFN2-xTB-STO6G-q10
  3
   3 2 2   6 1
           25.67304372660902        -0.00047498428760
            7.43254549918473        -0.00356677789100
            1.22408389564505         0.11086704810000
            0.61019796564799         0.41596469300000
            0.32708395877232         0.46216725170000
            0.17908315744259         0.10812501960000
   1 0 0   6 1
            4.71388735714202         0.00269543958200
            1.69747314854017         0.01850157487000
            0.61773946847277        -0.09588628125000
            0.35470299157785        -0.52006735600000
            0.12266975916530         1.08761949000000
            0.07399656550593         0.31039643430000
   2 1 1   6 1
            6.71774075768015         0.00011632463870
            0.62208339290256        -0.02920771322000
            0.29923957302098        -0.13810512330000
            0.09607505868515         0.57061348770000
            0.05918231130992         0.47688081400000
            0.03669107211067         0.06021665516000
#
Pd GFN2-GTH-q18 GFN2-xTB-GTH-q18 GFN2-xTB-STO6G-GTH-q18 GFN2-UZH-q18 GFN2-xTB-UZH-q18 GFN2-xTB-STO6G-UZH-q18 GFN2-q18 GFN2-xTB-q18 GFN2-xTB-STO6G-q18
  3
   3 2 2   6 1
           25.67304372660902        -0.00047498428760
            7.43254549918473        -0.00356677789100
            1.22408389564505         0.11086704810000
            0.61019796564799         0.41596469300000
            0.32708395877232         0.46216725170000
            0.17908315744259         0.10812501960000
   1 0 0   6 1
            4.71388735714202         0.00269543958200
            1.69747314854017         0.01850157487000
            0.61773946847277        -0.09588628125000
            0.35470299157785        -0.52006735600000
            0.12266975916530         1.08761949000000
            0.07399656550593         0.31039643430000
   2 1 1   6 1
            6.71774075768015         0.00011632463870
            0.62208339290256        -0.02920771322000
            0.29923957302098        -0.13810512330000
            0.09607505868515         0.57061348770000
            0.05918231130992         0.47688081400000
            0.03669107211067         0.06021665516000
#
Ag GFN2-GTH-q1 GFN2-xTB-GTH-q1 GFN2-xTB-STO6G-GTH-q1 GFN2-UZH-q1 GFN2-xTB-UZH-q1 GFN2-xTB-STO6G-UZH-q1 GFN2-q1 GFN2-xTB-q1 GFN2-xTB-STO6G-q1
  3
   3 2 2   6 1
           37.47139831724080        -0.00047498428760
           10.84826076240834        -0.00356677789100
            1.78662630406752         0.11086704810000
            0.89062174577560         0.41596469300000
            0.47739930772737         0.46216725170000
            0.26138296634790         0.10812501960000
   1 0 0   6 1
            4.56101142273916         0.00269543958200
            1.64242244960616         0.01850157487000
            0.59770557896601        -0.09588628125000
            0.34319962987982        -0.52006735600000
            0.11869146001758         1.08761949000000
            0.07159678518933         0.31039643430000
   2 1 1   6 1
            6.06242216685323         0.00011632463870
            0.56139888197563        -0.02920771322000
            0.27004861993343        -0.13810512330000
            0.08670289409259         0.57061348770000
            0.05340905058902         0.47688081400000
            0.03311184175052         0.06021665516000
#
Ag GFN2-GTH-q11 GFN2-xTB-GTH-q11 GFN2-xTB-STO6G-GTH-q11 GFN2-UZH-q11 GFN2-xTB-UZH-q11 GFN2-xTB-STO6G-UZH-q11 GFN2-q11 GFN2-xTB-q11 GFN2-xTB-STO6G-q11
  3
   3 2 2   6 1
           37.47139831724080        -0.00047498428760
           10.84826076240834        -0.00356677789100
            1.78662630406752         0.11086704810000
            0.89062174577560         0.41596469300000
            0.47739930772737         0.46216725170000
            0.26138296634790         0.10812501960000
   1 0 0   6 1
            4.56101142273916         0.00269543958200
            1.64242244960616         0.01850157487000
            0.59770557896601        -0.09588628125000
            0.34319962987982        -0.52006735600000
            0.11869146001758         1.08761949000000
            0.07159678518933         0.31039643430000
   2 1 1   6 1
            6.06242216685323         0.00011632463870
            0.56139888197563        -0.02920771322000
            0.27004861993343        -0.13810512330000
            0.08670289409259         0.57061348770000
            0.05340905058902         0.47688081400000
            0.03311184175052         0.06021665516000
#
Ag GFN2-GTH-q19 GFN2-xTB-GTH-q19 GFN2-xTB-STO6G-GTH-q19 GFN2-UZH-q19 GFN2-xTB-UZH-q19 GFN2-xTB-STO6G-UZH-q19 GFN2-q19 GFN2-xTB-q19 GFN2-xTB-STO6G-q19
  3
   3 2 2   6 1
           37.47139831724080        -0.00047498428760
           10.84826076240834        -0.00356677789100
            1.78662630406752         0.11086704810000
            0.89062174577560         0.41596469300000
            0.47739930772737         0.46216725170000
            0.26138296634790         0.10812501960000
   1 0 0   6 1
            4.56101142273916         0.00269543958200
            1.64242244960616         0.01850157487000
            0.59770557896601        -0.09588628125000
            0.34319962987982        -0.52006735600000
            0.11869146001758         1.08761949000000
            0.07159678518933         0.31039643430000
   2 1 1   6 1
            6.06242216685323         0.00011632463870
            0.56139888197563        -0.02920771322000
            0.27004861993343        -0.13810512330000
            0.08670289409259         0.57061348770000
            0.05340905058902         0.47688081400000
            0.03311184175052         0.06021665516000
#
Cd GFN2-GTH-q2 GFN2-xTB-GTH-q2 GFN2-xTB-STO6G-GTH-q2 GFN2-UZH-q2 GFN2-xTB-UZH-q2 GFN2-xTB-STO6G-UZH-q2 GFN2-q2 GFN2-xTB-q2 GFN2-xTB-STO6G-q2
  2
   1 0 0   6 1
            4.80890450000780         0.00269543958200
            1.73168886827333         0.01850157487000
            0.63019115322523        -0.09588628125000
            0.36185268826600        -0.52006735600000
            0.12514239568561         1.08761949000000
            0.07548810353040         0.31039643430000
   2 1 1   6 1
            4.92641711579567         0.00011632463870
            0.45620133089293        -0.02920771322000
            0.21944564511046        -0.13810512330000
            0.07045609983781         0.57061348770000
            0.04340101261815         0.47688081400000
            0.02690718980726         0.06021665516000
#
Cd GFN2-GTH-q12 GFN2-xTB-GTH-q12 GFN2-xTB-STO6G-GTH-q12 GFN2-UZH-q12 GFN2-xTB-UZH-q12 GFN2-xTB-STO6G-UZH-q12 GFN2-q12 GFN2-xTB-q12 GFN2-xTB-STO6G-q12
  2
   1 0 0   6 1
            4.80890450000780         0.00269543958200
            1.73168886827333         0.01850157487000
            0.63019115322523        -0.09588628125000
            0.36185268826600        -0.52006735600000
            0.12514239568561         1.08761949000000
            0.07548810353040         0.31039643430000
   2 1 1   6 1
            4.92641711579567         0.00011632463870
            0.45620133089293        -0.02920771322000
            0.21944564511046        -0.13810512330000
            0.07045609983781         0.57061348770000
            0.04340101261815         0.47688081400000
            0.02690718980726         0.06021665516000
#
Cd GFN2-GTH-q20 GFN2-xTB-GTH-q20 GFN2-xTB-STO6G-GTH-q20 GFN2-UZH-q20 GFN2-xTB-UZH-q20 GFN2-xTB-STO6G-UZH-q20 GFN2-q20 GFN2-xTB-q20 GFN2-xTB-STO6G-q20
  2
   1 0 0   6 1
            4.80890450000780         0.00269543958200
            1.73168886827333         0.01850157487000
            0.63019115322523        -0.09588628125000
            0.36185268826600        -0.52006735600000
            0.12514239568561         1.08761949000000
            0.07548810353040         0.31039643430000
   2 1 1   6 1
            4.92641711579567         0.00011632463870
            0.45620133089293        -0.02920771322000
            0.21944564511046        -0.13810512330000
            0.07045609983781         0.57061348770000
            0.04340101261815         0.47688081400000
            0.02690718980726         0.06021665516000
#
In GFN2-GTH-q3 GFN2-xTB-GTH-q3 GFN2-xTB-STO6G-GTH-q3 GFN2-UZH-q3 GFN2-xTB-UZH-q3 GFN2-xTB-STO6G-UZH-q3 GFN2-q3 GFN2-xTB-q3 GFN2-xTB-STO6G-q3
  3
   1 0 0   6 1
            5.43531151679825         0.00269543958200
            1.95725834214884         0.01850157487000
            0.71227973708022        -0.09588628125000
            0.40898755296833        -0.52006735600000
            0.14144342115936         1.08761949000000
            0.08532117002934         0.31039643430000
   2 1 1   6 1
           10.73011930759157         0.00011632463870
            0.99364194986007        -0.02920771322000
            0.47796966806095        -0.13810512330000
            0.15345886055471         0.57061348770000
            0.09453077815312         0.47688081400000
            0.05860595034436         0.06021665516000
   3 2 2   6 1
            0.97246237718700        -0.00409737701900
            0.37604493459225        -0.02508271857000
            0.10147750496100         0.26484585550000
            0.06033797030835         0.50974370540000
            0.03738801120075         0.26544834670000
            0.02324320679835         0.02623132212000
#
In GFN2-GTH-q13 GFN2-xTB-GTH-q13 GFN2-xTB-STO6G-GTH-q13 GFN2-UZH-q13 GFN2-xTB-UZH-q13 GFN2-xTB-STO6G-UZH-q13 GFN2-q13 GFN2-xTB-q13 GFN2-xTB-STO6G-q13
  3
   1 0 0   6 1
            5.43531151679825         0.00269543958200
            1.95725834214884         0.01850157487000
            0.71227973708022        -0.09588628125000
            0.40898755296833        -0.52006735600000
            0.14144342115936         1.08761949000000
            0.08532117002934         0.31039643430000
   2 1 1   6 1
           10.73011930759157         0.00011632463870
            0.99364194986007        -0.02920771322000
            0.47796966806095        -0.13810512330000
            0.15345886055471         0.57061348770000
            0.09453077815312         0.47688081400000
            0.05860595034436         0.06021665516000
   3 2 2   6 1
            0.97246237718700        -0.00409737701900
            0.37604493459225        -0.02508271857000
            0.10147750496100         0.26484585550000
            0.06033797030835         0.50974370540000
            0.03738801120075         0.26544834670000
            0.02324320679835         0.02623132212000
#
In GFN2-GTH-q21 GFN2-xTB-GTH-q21 GFN2-xTB-STO6G-GTH-q21 GFN2-UZH-q21 GFN2-xTB-UZH-q21 GFN2-xTB-STO6G-UZH-q21 GFN2-q21 GFN2-xTB-q21 GFN2-xTB-STO6G-q21
  3
   1 0 0   6 1
            5.43531151679825         0.00269543958200
            1.95725834214884         0.01850157487000
            0.71227973708022        -0.09588628125000
            0.40898755296833        -0.52006735600000
            0.14144342115936         1.08761949000000
            0.08532117002934         0.31039643430000
   2 1 1   6 1
           10.73011930759157         0.00011632463870
            0.99364194986007        -0.02920771322000
            0.47796966806095        -0.13810512330000
            0.15345886055471         0.57061348770000
            0.09453077815312         0.47688081400000
            0.05860595034436         0.06021665516000
   3 2 2   6 1
            0.97246237718700        -0.00409737701900
            0.37604493459225        -0.02508271857000
            0.10147750496100         0.26484585550000
            0.06033797030835         0.50974370540000
            0.03738801120075         0.26544834670000
            0.02324320679835         0.02623132212000
#
Sn GFN2-GTH-q4 GFN2-xTB-GTH-q4 GFN2-xTB-STO6G-GTH-q4 GFN2-UZH-q4 GFN2-xTB-UZH-q4 GFN2-xTB-STO6G-UZH-q4 GFN2-q4 GFN2-xTB-q4 GFN2-xTB-STO6G-q4
  3
   1 0 0   6 1
            9.18022187100143         0.00269543958200
            3.30580239683836         0.01850157487000
            1.20303794923365        -0.09588628125000
            0.69077852614765        -0.52006735600000
            0.23889743659096         1.08761949000000
            0.14410715351679         0.31039643430000
   2 1 1   6 1
           13.55172227407612         0.00011632463870
            1.25493103649354        -0.02920771322000
            0.60365705276098        -0.13810512330000
            0.19381255688949         0.57061348770000
            0.11938868666419         0.47688081400000
            0.07401702999828         0.06021665516000
   3 2 2   6 1
            1.06728297178800        -0.00409737701900
            0.41271144748900        -0.02508271857000
            0.11137213696400         0.26484585550000
            0.06622126446540         0.50974370540000
            0.04103355424300         0.26544834670000
            0.02550955122540         0.02623132212000
#
Sn GFN2-GTH-q14 GFN2-xTB-GTH-q14 GFN2-xTB-STO6G-GTH-q14 GFN2-UZH-q14 GFN2-xTB-UZH-q14 GFN2-xTB-STO6G-UZH-q14 GFN2-q14 GFN2-xTB-q14 GFN2-xTB-STO6G-q14
  3
   1 0 0   6 1
            9.18022187100143         0.00269543958200
            3.30580239683836         0.01850157487000
            1.20303794923365        -0.09588628125000
            0.69077852614765        -0.52006735600000
            0.23889743659096         1.08761949000000
            0.14410715351679         0.31039643430000
   2 1 1   6 1
           13.55172227407612         0.00011632463870
            1.25493103649354        -0.02920771322000
            0.60365705276098        -0.13810512330000
            0.19381255688949         0.57061348770000
            0.11938868666419         0.47688081400000
            0.07401702999828         0.06021665516000
   3 2 2   6 1
            1.06728297178800        -0.00409737701900
            0.41271144748900        -0.02508271857000
            0.11137213696400         0.26484585550000
            0.06622126446540         0.50974370540000
            0.04103355424300         0.26544834670000
            0.02550955122540         0.02623132212000
#
Sn GFN2-GTH-q22 GFN2-xTB-GTH-q22 GFN2-xTB-STO6G-GTH-q22 GFN2-UZH-q22 GFN2-xTB-UZH-q22 GFN2-xTB-STO6G-UZH-q22 GFN2-q22 GFN2-xTB-q22 GFN2-xTB-STO6G-q22
  3
   1 0 0   6 1
            9.18022187100143         0.00269543958200
            3.30580239683836         0.01850157487000
            1.20303794923365        -0.09588628125000
            0.69077852614765        -0.52006735600000
            0.23889743659096         1.08761949000000
            0.14410715351679         0.31039643430000
   2 1 1   6 1
           13.55172227407612         0.00011632463870
            1.25493103649354        -0.02920771322000
            0.60365705276098        -0.13810512330000
            0.19381255688949         0.57061348770000
            0.11938868666419         0.47688081400000
            0.07401702999828         0.06021665516000
   3 2 2   6 1
            1.06728297178800        -0.00409737701900
            0.41271144748900        -0.02508271857000
            0.11137213696400         0.26484585550000
            0.06622126446540         0.50974370540000
            0.04103355424300         0.26544834670000
            0.02550955122540         0.02623132212000
#
Sb GFN2-GTH-q5 GFN2-xTB-GTH-q5 GFN2-xTB-STO6G-GTH-q5 GFN2-UZH-q5 GFN2-xTB-UZH-q5 GFN2-xTB-STO6G-UZH-q5 GFN2-q5 GFN2-xTB-q5 GFN2-xTB-STO6G-q5
  3
   1 0 0   6 1
            7.50770223459910         0.00269543958200
            2.70352725572841         0.01850157487000
            0.98385973963217        -0.09588628125000
            0.56492746659575        -0.52006735600000
            0.19537336283772         1.08761949000000
            0.11785266344131         0.31039643430000
   2 1 1   6 1
           17.95344420511622         0.00011632463870
            1.66254398439488        -0.02920771322000
            0.79973032184265        -0.13810512330000
            0.25676462784533         0.57061348770000
            0.15816721162062         0.47688081400000
            0.09805843061325         0.06021665516000
   3 2 2   6 1
            1.39166162524843        -0.00409737701900
            0.53814658244661        -0.02508271857000
            0.14522140166357         0.26484585550000
            0.08634785241400         0.50974370540000
            0.05350485700326         0.26544834670000
            0.03326265335071         0.02623132212000
#
Sb GFN2-GTH-q15 GFN2-xTB-GTH-q15 GFN2-xTB-STO6G-GTH-q15 GFN2-UZH-q15 GFN2-xTB-UZH-q15 GFN2-xTB-STO6G-UZH-q15 GFN2-q15 GFN2-xTB-q15 GFN2-xTB-STO6G-q15
  3
   1 0 0   6 1
            7.50770223459910         0.00269543958200
            2.70352725572841         0.01850157487000
            0.98385973963217        -0.09588628125000
            0.56492746659575        -0.52006735600000
            0.19537336283772         1.08761949000000
            0.11785266344131         0.31039643430000
   2 1 1   6 1
           17.95344420511622         0.00011632463870
            1.66254398439488        -0.02920771322000
            0.79973032184265        -0.13810512330000
            0.25676462784533         0.57061348770000
            0.15816721162062         0.47688081400000
            0.09805843061325         0.06021665516000
   3 2 2   6 1
            1.39166162524843        -0.00409737701900
            0.53814658244661        -0.02508271857000
            0.14522140166357         0.26484585550000
            0.08634785241400         0.50974370540000
            0.05350485700326         0.26544834670000
            0.03326265335071         0.02623132212000
#
Sb GFN2-GTH-q23 GFN2-xTB-GTH-q23 GFN2-xTB-STO6G-GTH-q23 GFN2-UZH-q23 GFN2-xTB-UZH-q23 GFN2-xTB-STO6G-UZH-q23 GFN2-q23 GFN2-xTB-q23 GFN2-xTB-STO6G-q23
  3
   1 0 0   6 1
            7.50770223459910         0.00269543958200
            2.70352725572841         0.01850157487000
            0.98385973963217        -0.09588628125000
            0.56492746659575        -0.52006735600000
            0.19537336283772         1.08761949000000
            0.11785266344131         0.31039643430000
   2 1 1   6 1
           17.95344420511622         0.00011632463870
            1.66254398439488        -0.02920771322000
            0.79973032184265        -0.13810512330000
            0.25676462784533         0.57061348770000
            0.15816721162062         0.47688081400000
            0.09805843061325         0.06021665516000
   3 2 2   6 1
            1.39166162524843        -0.00409737701900
            0.53814658244661        -0.02508271857000
            0.14522140166357         0.26484585550000
            0.08634785241400         0.50974370540000
            0.05350485700326         0.26544834670000
            0.03326265335071         0.02623132212000
#
Te GFN2-GTH-q6 GFN2-xTB-GTH-q6 GFN2-xTB-STO6G-GTH-q6 GFN2-UZH-q6 GFN2-xTB-UZH-q6 GFN2-xTB-STO6G-UZH-q6 GFN2-q6 GFN2-xTB-q6 GFN2-xTB-STO6G-q6
  3
   1 0 0   6 1
            8.35509056092238         0.00269543958200
            3.00867220751450         0.01850157487000
            1.09490719890161        -0.09588628125000
            0.62869037639877        -0.52006735600000
            0.21742499751500         1.08761949000000
            0.13115459898772         0.31039643430000
   2 1 1   6 1
           17.99806409879003         0.00011632463870
            1.66667592336794        -0.02920771322000
            0.80171790046660        -0.13810512330000
            0.25740276781796         0.57061348770000
            0.15856030634297         0.47688081400000
            0.09830213631661         0.06021665516000
   3 2 2   6 1
            1.66296597121938        -0.00409737701900
            0.64305822471534        -0.02508271857000
            0.17353230474842         0.26484585550000
            0.10318136079000         0.50974370540000
            0.06393562549768         0.26544834670000
            0.03974720552118         0.02623132212000
#
Te GFN2-GTH-q16 GFN2-xTB-GTH-q16 GFN2-xTB-STO6G-GTH-q16 GFN2-UZH-q16 GFN2-xTB-UZH-q16 GFN2-xTB-STO6G-UZH-q16 GFN2-q16 GFN2-xTB-q16 GFN2-xTB-STO6G-q16
  3
   1 0 0   6 1
            8.35509056092238         0.00269543958200
            3.00867220751450         0.01850157487000
            1.09490719890161        -0.09588628125000
            0.62869037639877        -0.52006735600000
            0.21742499751500         1.08761949000000
            0.13115459898772         0.31039643430000
   2 1 1   6 1
           17.99806409879003         0.00011632463870
            1.66667592336794        -0.02920771322000
            0.80171790046660        -0.13810512330000
            0.25740276781796         0.57061348770000
            0.15856030634297         0.47688081400000
            0.09830213631661         0.06021665516000
   3 2 2   6 1
            1.66296597121938        -0.00409737701900
            0.64305822471534        -0.02508271857000
            0.17353230474842         0.26484585550000
            0.10318136079000         0.50974370540000
            0.06393562549768         0.26544834670000
            0.03974720552118         0.02623132212000
#
Te GFN2-GTH-q24 GFN2-xTB-GTH-q24 GFN2-xTB-STO6G-GTH-q24 GFN2-UZH-q24 GFN2-xTB-UZH-q24 GFN2-xTB-STO6G-UZH-q24 GFN2-q24 GFN2-xTB-q24 GFN2-xTB-STO6G-q24
  3
   1 0 0   6 1
            8.35509056092238         0.00269543958200
            3.00867220751450         0.01850157487000
            1.09490719890161        -0.09588628125000
            0.62869037639877        -0.52006735600000
            0.21742499751500         1.08761949000000
            0.13115459898772         0.31039643430000
   2 1 1   6 1
           17.99806409879003         0.00011632463870
            1.66667592336794        -0.02920771322000
            0.80171790046660        -0.13810512330000
            0.25740276781796         0.57061348770000
            0.15856030634297         0.47688081400000
            0.09830213631661         0.06021665516000
   3 2 2   6 1
            1.66296597121938        -0.00409737701900
            0.64305822471534        -0.02508271857000
            0.17353230474842         0.26484585550000
            0.10318136079000         0.50974370540000
            0.06393562549768         0.26544834670000
            0.03974720552118         0.02623132212000
#
I GFN2-GTH-q7 GFN2-xTB-GTH-q7 GFN2-xTB-STO6G-GTH-q7 GFN2-UZH-q7 GFN2-xTB-UZH-q7 GFN2-xTB-STO6G-UZH-q7 GFN2-q7 GFN2-xTB-q7 GFN2-xTB-STO6G-q7
  3
   1 0 0   6 1
            6.57604906255719         0.00269543958200
            2.36803849168373         0.01850157487000
            0.86176964886532        -0.09588628125000
            0.49482393161510        -0.52006735600000
            0.17112889928116         1.08761949000000
            0.10322797478189         0.31039643430000
   2 1 1   6 1
           20.13482392884675         0.00011632463870
            1.86454643562013        -0.02920771322000
            0.89689917081609        -0.13810512330000
            0.28796204860504         0.57061348770000
            0.17738484721445         0.47688081400000
            0.10997272793897         0.06021665516000
   3 2 2   6 1
            2.52276296108764        -0.00409737701900
            0.97553618006090        -0.02508271857000
            0.26325305421041         0.26484585550000
            0.15652882847913         0.50974370540000
            0.09699201949470         0.26544834670000
            0.06029755246408         0.02623132212000
#
I GFN2-GTH-q17 GFN2-xTB-GTH-q17 GFN2-xTB-STO6G-GTH-q17 GFN2-UZH-q17 GFN2-xTB-UZH-q17 GFN2-xTB-STO6G-UZH-q17 GFN2-q17 GFN2-xTB-q17 GFN2-xTB-STO6G-q17
  3
   1 0 0   6 1
            6.57604906255719         0.00269543958200
            2.36803849168373         0.01850157487000
            0.86176964886532        -0.09588628125000
            0.49482393161510        -0.52006735600000
            0.17112889928116         1.08761949000000
            0.10322797478189         0.31039643430000
   2 1 1   6 1
           20.13482392884675         0.00011632463870
            1.86454643562013        -0.02920771322000
            0.89689917081609        -0.13810512330000
            0.28796204860504         0.57061348770000
            0.17738484721445         0.47688081400000
            0.10997272793897         0.06021665516000
   3 2 2   6 1
            2.52276296108764        -0.00409737701900
            0.97553618006090        -0.02508271857000
            0.26325305421041         0.26484585550000
            0.15652882847913         0.50974370540000
            0.09699201949470         0.26544834670000
            0.06029755246408         0.02623132212000
#
I GFN2-GTH-q25 GFN2-xTB-GTH-q25 GFN2-xTB-STO6G-GTH-q25 GFN2-UZH-q25 GFN2-xTB-UZH-q25 GFN2-xTB-STO6G-UZH-q25 GFN2-q25 GFN2-xTB-q25 GFN2-xTB-STO6G-q25
  3
   1 0 0   6 1
            6.57604906255719         0.00269543958200
            2.36803849168373         0.01850157487000
            0.86176964886532        -0.09588628125000
            0.49482393161510        -0.52006735600000
            0.17112889928116         1.08761949000000
            0.10322797478189         0.31039643430000
   2 1 1   6 1
           20.13482392884675         0.00011632463870
            1.86454643562013        -0.02920771322000
            0.89689917081609        -0.13810512330000
            0.28796204860504         0.57061348770000
            0.17738484721445         0.47688081400000
            0.10997272793897         0.06021665516000
   3 2 2   6 1
            2.52276296108764        -0.00409737701900
            0.97553618006090        -0.02508271857000
            0.26325305421041         0.26484585550000
            0.15652882847913         0.50974370540000
            0.09699201949470         0.26544834670000
            0.06029755246408         0.02623132212000
#
Xe GFN2-GTH-q8 GFN2-xTB-GTH-q8 GFN2-xTB-STO6G-GTH-q8 GFN2-UZH-q8 GFN2-xTB-UZH-q8 GFN2-xTB-STO6G-UZH-q8 GFN2-q8 GFN2-xTB-q8 GFN2-xTB-STO6G-q8
  3
   1 0 0   6 1
           10.39544497059570         0.00269543958200
            3.74340483082985         0.01850157487000
            1.36228894840779        -0.09588628125000
            0.78221967359202        -0.52006735600000
            0.27052125652239         1.08761949000000
            0.16318320028681         0.31039643430000
   2 1 1   6 1
           20.20695366407610         0.00011632463870
            1.87122587027520        -0.02920771322000
            0.90011216636783        -0.13810512330000
            0.28899362585624         0.57061348770000
            0.17802029960820         0.47688081400000
            0.11036668736850         0.06021665516000
   3 2 2   6 1
            3.03747716751541        -0.00409737701900
            1.17457284680550        -0.02508271857000
            0.31696404052884         0.26484585550000
            0.18846508764276         0.50974370540000
            0.11678110436477         0.26544834670000
            0.07259993970569         0.02623132212000
#
Xe GFN2-GTH-q18 GFN2-xTB-GTH-q18 GFN2-xTB-STO6G-GTH-q18 GFN2-UZH-q18 GFN2-xTB-UZH-q18 GFN2-xTB-STO6G-UZH-q18 GFN2-q18 GFN2-xTB-q18 GFN2-xTB-STO6G-q18
  3
   1 0 0   6 1
           10.39544497059570         0.00269543958200
            3.74340483082985         0.01850157487000
            1.36228894840779        -0.09588628125000
            0.78221967359202        -0.52006735600000
            0.27052125652239         1.08761949000000
            0.16318320028681         0.31039643430000
   2 1 1   6 1
           20.20695366407610         0.00011632463870
            1.87122587027520        -0.02920771322000
            0.90011216636783        -0.13810512330000
            0.28899362585624         0.57061348770000
            0.17802029960820         0.47688081400000
            0.11036668736850         0.06021665516000
   3 2 2   6 1
            3.03747716751541        -0.00409737701900
            1.17457284680550        -0.02508271857000
            0.31696404052884         0.26484585550000
            0.18846508764276         0.50974370540000
            0.11678110436477         0.26544834670000
            0.07259993970569         0.02623132212000
#
Xe GFN2-GTH-q26 GFN2-xTB-GTH-q26 GFN2-xTB-STO6G-GTH-q26 GFN2-UZH-q26 GFN2-xTB-UZH-q26 GFN2-xTB-STO6G-UZH-q26 GFN2-q26 GFN2-xTB-q26 GFN2-xTB-STO6G-q26
  3
   1 0 0   6 1
           10.39544497059570         0.00269543958200
            3.74340483082985         0.01850157487000
            1.36228894840779        -0.09588628125000
            0.78221967359202        -0.52006735600000
            0.27052125652239         1.08761949000000
            0.16318320028681         0.31039643430000
   2 1 1   6 1
           20.20695366407610         0.00011632463870
            1.87122587027520        -0.02920771322000
            0.90011216636783        -0.13810512330000
            0.28899362585624         0.57061348770000
            0.17802029960820         0.47688081400000
            0.11036668736850         0.06021665516000
   3 2 2   6 1
            3.03747716751541        -0.00409737701900
            1.17457284680550        -0.02508271857000
            0.31696404052884         0.26484585550000
            0.18846508764276         0.50974370540000
            0.11678110436477         0.26544834670000
            0.07259993970569         0.02623132212000
#
Cs GFN2-GTH-q1 GFN2-xTB-GTH-q1 GFN2-xTB-STO6G-GTH-q1 GFN2-UZH-q1 GFN2-xTB-UZH-q1 GFN2-xTB-STO6G-UZH-q1 GFN2-q1 GFN2-xTB-q1 GFN2-xTB-STO6G-q1
  2
   1 0 0   6 1
            0.02760509554882         0.30196096126945
            0.04331483705687         1.30476826651687
            0.11044569644290        -0.84237061150133
            0.20609467736940        -0.08693662797569
            0.32942768349144         0.08040482815742
            0.70992314568773         0.01125817732456
   2 1 1   6 1
            0.01246719191573         0.08818658740224
            0.01919541467142         0.58260237820929
            0.02883072497565         0.54658006457823
            0.05955402026663        -0.20802232268177
            0.09694835218150        -0.11173787974342
            0.45003702531785         0.00283906105737
#
Cs GFN2-GTH-q9 GFN2-xTB-GTH-q9 GFN2-xTB-STO6G-GTH-q9 GFN2-UZH-q9 GFN2-xTB-UZH-q9 GFN2-xTB-STO6G-UZH-q9 GFN2-q9 GFN2-xTB-q9 GFN2-xTB-STO6G-q9
  2
   1 0 0   6 1
            0.02760509554882         0.30196096126945
            0.04331483705687         1.30476826651687
            0.11044569644290        -0.84237061150133
            0.20609467736940        -0.08693662797569
            0.32942768349144         0.08040482815742
            0.70992314568773         0.01125817732456
   2 1 1   6 1
            0.01246719191573         0.08818658740224
            0.01919541467142         0.58260237820929
            0.02883072497565         0.54658006457823
            0.05955402026663        -0.20802232268177
            0.09694835218150        -0.11173787974342
            0.45003702531785         0.00283906105737
#
Ba GFN2-GTH-q2 GFN2-xTB-GTH-q2 GFN2-xTB-STO6G-GTH-q2 GFN2-UZH-q2 GFN2-xTB-UZH-q2 GFN2-xTB-STO6G-UZH-q2 GFN2-q2 GFN2-xTB-q2 GFN2-xTB-STO6G-q2
  3
   1 0 0   6 1
            0.04290758530397         0.30196096126945
            0.06732579724849         1.30476826651687
            0.17166968805448        -0.84237061150133
            0.32034031305135        -0.08693662797569
            0.51204120651927         0.08040482815742
            1.10345888421167         0.01125817732456
   2 1 1   6 1
            0.01806153265180         0.08818658740224
            0.02780887718711         0.58260237820929
            0.04176779214137         0.54658006457823
            0.08627739821944        -0.20802232268177
            0.14045150185384        -0.11173787974342
            0.65197989108049         0.00283906105737
   3 2 2   6 1
            1.98461709630000        -0.00409737701900
            0.76743864202500        -0.02508271857000
            0.20709694890000         0.26484585550000
            0.12313871491500         0.50974370540000
            0.07630206367500         0.26544834670000
            0.04743511591500         0.02623132212000
#
Ba GFN2-GTH-q10 GFN2-xTB-GTH-q10 GFN2-xTB-STO6G-GTH-q10 GFN2-UZH-q10 GFN2-xTB-UZH-q10 GFN2-xTB-STO6G-UZH-q10 GFN2-q10 GFN2-xTB-q10 GFN2-xTB-STO6G-q10
  3
   1 0 0   6 1
            0.04290758530397         0.30196096126945
            0.06732579724849         1.30476826651687
            0.17166968805448        -0.84237061150133
            0.32034031305135        -0.08693662797569
            0.51204120651927         0.08040482815742
            1.10345888421167         0.01125817732456
   2 1 1   6 1
            0.01806153265180         0.08818658740224
            0.02780887718711         0.58260237820929
            0.04176779214137         0.54658006457823
            0.08627739821944        -0.20802232268177
            0.14045150185384        -0.11173787974342
            0.65197989108049         0.00283906105737
   3 2 2   6 1
            1.98461709630000        -0.00409737701900
            0.76743864202500        -0.02508271857000
            0.20709694890000         0.26484585550000
            0.12313871491500         0.50974370540000
            0.07630206367500         0.26544834670000
            0.04743511591500         0.02623132212000
#
La GFN2-GTH-q11 GFN2-xTB-GTH-q11 GFN2-xTB-STO6G-GTH-q11 GFN2-UZH-q11 GFN2-xTB-UZH-q11 GFN2-xTB-STO6G-UZH-q11 GFN2-q11 GFN2-xTB-q11 GFN2-xTB-STO6G-q11
  3
   3 2 2   6 1
            7.29095486466481        -0.00409737701900
            2.81936526236501        -0.02508271857000
            0.76081905666072         0.26484585550000
            0.45237885646148         0.50974370540000
            0.28031346871513         0.26544834670000
            0.17426398763831         0.02623132212000
   1 0 0   6 1
            0.05508320428352         0.30196096126945
            0.08643042056824         1.30476826651687
            0.22038332918069        -0.84237061150133
            0.41124129402878        -0.08693662797569
            0.65733995936780         0.08040482815742
            1.41658055812046         0.01125817732456
   2 1 1   6 1
            0.03121678201888         0.08818658740224
            0.04806367621595         0.58260237820929
            0.07218966894025         0.54658006457823
            0.14911817204525        -0.20802232268177
            0.24275038016545        -0.11173787974342
            1.12685421181694         0.00283906105737
#
Ce GFN2-GTH-q12 GFN2-xTB-GTH-q12 GFN2-xTB-STO6G-GTH-q12 GFN2-UZH-q12 GFN2-xTB-UZH-q12 GFN2-xTB-STO6G-UZH-q12 GFN2-q12 GFN2-xTB-q12 GFN2-xTB-STO6G-q12
  3
   3 2 2   6 1
            7.26537447133932        -0.00409737701900
            2.80947348910921        -0.02508271857000
            0.75814971484196         0.26484585550000
            0.45079168039261         0.50974370540000
            0.27932998590427         0.26544834670000
            0.17365258056901         0.02623132212000
   1 0 0   6 1
            0.05468985536670         0.30196096126945
            0.08581322131933         1.30476826651687
            0.21880957280711        -0.84237061150133
            0.40830462177701        -0.08693662797569
            0.65264589764130         0.08040482815742
            1.40646476265479         0.01125817732456
   2 1 1   6 1
            0.03151510192236         0.08818658740224
            0.04852299169699         0.58260237820929
            0.07287954194054         0.54658006457823
            0.15054320421754        -0.20802232268177
            0.24507019871489        -0.11173787974342
            1.13762287591259         0.00283906105737
#
Ce GFN2-GTH-q30 GFN2-xTB-GTH-q30 GFN2-xTB-STO6G-GTH-q30 GFN2-UZH-q30 GFN2-xTB-UZH-q30 GFN2-xTB-STO6G-UZH-q30 GFN2-q30 GFN2-xTB-q30 GFN2-xTB-STO6G-q30
  3
   3 2 2   6 1
            7.26537447133932        -0.00409737701900
            2.80947348910921        -0.02508271857000
            0.75814971484196         0.26484585550000
            0.45079168039261         0.50974370540000
            0.27932998590427         0.26544834670000
            0.17365258056901         0.02623132212000
   1 0 0   6 1
            0.05468985536670         0.30196096126945
            0.08581322131933         1.30476826651687
            0.21880957280711        -0.84237061150133
            0.40830462177701        -0.08693662797569
            0.65264589764130         0.08040482815742
            1.40646476265479         0.01125817732456
   2 1 1   6 1
            0.03151510192236         0.08818658740224
            0.04852299169699         0.58260237820929
            0.07287954194054         0.54658006457823
            0.15054320421754        -0.20802232268177
            0.24507019871489        -0.11173787974342
            1.13762287591259         0.00283906105737
#
Pr GFN2-GTH-q13 GFN2-xTB-GTH-q13 GFN2-xTB-STO6G-GTH-q13 GFN2-UZH-q13 GFN2-xTB-UZH-q13 GFN2-xTB-STO6G-UZH-q13 GFN2-q13 GFN2-xTB-q13 GFN2-xTB-STO6G-q13
  3
   3 2 2   6 1
            7.27706452480944        -0.00409737701900
            2.81399395745398        -0.02508271857000
            0.75936958461465         0.26484585550000
            0.45151700829807         0.50974370540000
            0.27977943038699         0.26544834670000
            0.17393198914734         0.02623132212000
   1 0 0   6 1
            0.05497998301173         0.30196096126945
            0.08626845726112         1.30476826651687
            0.21997034943822        -0.84237061150133
            0.41047066258251        -0.08693662797569
            0.65610815981136         0.08040482815742
            1.41392600581720         0.01125817732456
   2 1 1   6 1
            0.03178955837767         0.08818658740224
            0.04894556524077         0.58260237820929
            0.07351423005909         0.54658006457823
            0.15185424405810        -0.20802232268177
            0.24720444845350        -0.11173787974342
            1.14753012427766         0.00283906105737
#
Nd GFN2-GTH-q14 GFN2-xTB-GTH-q14 GFN2-xTB-STO6G-GTH-q14 GFN2-UZH-q14 GFN2-xTB-UZH-q14 GFN2-xTB-STO6G-UZH-q14 GFN2-q14 GFN2-xTB-q14 GFN2-xTB-STO6G-q14
  3
   3 2 2   6 1
            7.28875890430117        -0.00409737701900
            2.81851609864342        -0.02508271857000
            0.76058990581239         0.26484585550000
            0.45224260461840         0.50974370540000
            0.28022904119115         0.26544834670000
            0.17421150112362         0.02623132212000
   1 0 0   6 1
            0.05527087818044         0.30196096126945
            0.08672489751545         1.30476826651687
            0.22113419686788        -0.84237061150133
            0.41264243358172        -0.08693662797569
            0.65957958128850         0.08040482815742
            1.42140698746676         0.01125817732456
   2 1 1   6 1
            0.03206520474063         0.08818658740224
            0.04936997085476         0.58260237820929
            0.07415166987190         0.54658006457823
            0.15317096791997        -0.20802232268177
            0.24934795124500        -0.11173787974342
            1.15748032557911         0.00283906105737
#
Pm GFN2-GTH-q15 GFN2-xTB-GTH-q15 GFN2-xTB-STO6G-GTH-q15 GFN2-UZH-q15 GFN2-xTB-UZH-q15 GFN2-xTB-STO6G-UZH-q15 GFN2-q15 GFN2-xTB-q15 GFN2-xTB-STO6G-q15
  3
   3 2 2   6 1
            7.30046774798483        -0.00409737701900
            2.82304383304268        -0.02508271857000
            0.76181173636427         0.26484585550000
            0.45296909839245         0.50974370540000
            0.28067920809638         0.26544834670000
            0.17449135881425         0.02623132212000
   1 0 0   6 1
            0.05556254087283         0.30196096126945
            0.08718254208234         1.30476826651687
            0.22230111509608        -0.84237061150133
            0.41481993477464        -0.08693662797569
            0.66306016207272         0.08040482815742
            1.42890770760347         0.01125817732456
   2 1 1   6 1
            0.03234204101124         0.08818658740224
            0.04979620853894         0.58260237820929
            0.07479186137895         0.54658006457823
            0.15449337580316        -0.20802232268177
            0.25150070708940        -0.11173787974342
            1.16747347981692         0.00283906105737
#
Sm GFN2-GTH-q16 GFN2-xTB-GTH-q16 GFN2-xTB-STO6G-GTH-q16 GFN2-UZH-q16 GFN2-xTB-UZH-q16 GFN2-xTB-STO6G-UZH-q16 GFN2-q16 GFN2-xTB-q16 GFN2-xTB-STO6G-q16
  3
   3 2 2   6 1
            7.31218598881104        -0.00409737701900
            2.82757520125640        -0.02508271857000
            0.76303454751817         0.26484585550000
            0.45369617522712         0.50974370540000
            0.28112973629114         0.26544834670000
            0.17477144110970         0.02623132212000
   1 0 0   6 1
            0.05585503516199         0.30196096126945
            0.08764149149814         1.30476826651687
            0.22347136047396        -0.84237061150133
            0.41700364451949        -0.08693662797569
            0.66655066678562         0.08040482815742
            1.43642981400195         0.01125817732456
   2 1 1   6 1
            0.03262001823132         0.08818658740224
            0.05022420291368         0.58260237820929
            0.07543469136311         0.54658006457823
            0.15582123384131        -0.20802232268177
            0.25366233527425        -0.11173787974342
            1.17750781971296         0.00283906105737
#
Eu GFN2-GTH-q17 GFN2-xTB-GTH-q17 GFN2-xTB-STO6G-GTH-q17 GFN2-UZH-q17 GFN2-xTB-UZH-q17 GFN2-xTB-STO6G-UZH-q17 GFN2-q17 GFN2-xTB-q17 GFN2-xTB-STO6G-q17
  3
   3 2 2   6 1
            7.32390854344595        -0.00409737701900
            2.83210823759216        -0.02508271857000
            0.76425780882270         0.26484585550000
            0.45442351971889         0.50974370540000
            0.28158043033779         0.26544834670000
            0.17505162651118         0.02623132212000
   1 0 0   6 1
            0.05614823306968         0.30196096126945
            0.08810154495365         1.30476826651687
            0.22464442097119        -0.84237061150133
            0.41919260735368        -0.08693662797569
            0.67004956818823         0.08040482815742
            1.44397001543209         0.01125817732456
   2 1 1   6 1
            0.03289923410815         0.08818658740224
            0.05065410441635         0.58260237820929
            0.07608038577515         0.54658006457823
            0.15715500876834        -0.20802232268177
            0.25583359559854        -0.11173787974342
            1.18758687227598         0.00283906105737
#
Gd GFN2-GTH-q18 GFN2-xTB-GTH-q18 GFN2-xTB-STO6G-GTH-q18 GFN2-UZH-q18 GFN2-xTB-UZH-q18 GFN2-xTB-STO6G-UZH-q18 GFN2-q18 GFN2-xTB-q18 GFN2-xTB-STO6G-q18
  3
   3 2 2   6 1
            7.33564557448570        -0.00409737701900
            2.83664687186037        -0.02508271857000
            0.76548258075579         0.26484585550000
            0.45515176242215         0.50974370540000
            0.28203168095506         0.26544834670000
            0.17533215791893         0.02623132212000
   1 0 0   6 1
            0.05644219850105         0.30196096126945
            0.08856280272171         1.30476826651687
            0.22582055226695        -0.84237061150133
            0.42138730038158        -0.08693662797569
            0.67355762889792         0.08040482815742
            1.45152995534938         0.01125817732456
   2 1 1   6 1
            0.03317963989264         0.08818658740224
            0.05108583798923         0.58260237820929
            0.07672883188145         0.54658006457823
            0.15849446771669        -0.20802232268177
            0.25801410897574        -0.11173787974342
            1.19770887777537         0.00283906105737
#
Tb GFN2-GTH-q19 GFN2-xTB-GTH-q19 GFN2-xTB-STO6G-GTH-q19 GFN2-UZH-q19 GFN2-xTB-UZH-q19 GFN2-xTB-STO6G-UZH-q19 GFN2-q19 GFN2-xTB-q19 GFN2-xTB-STO6G-q19
  3
   3 2 2   6 1
            7.34739200266799        -0.00409737701900
            2.84118913994305        -0.02508271857000
            0.76670833329090         0.26484585550000
            0.45588058818603         0.50974370540000
            0.28248329286186         0.26544834670000
            0.17561291393149         0.02623132212000
   1 0 0   6 1
            0.05673693145610         0.30196096126945
            0.08902526480233         1.30476826651687
            0.22699975436126        -0.84237061150133
            0.42358772360319        -0.08693662797569
            0.67707484891470         0.08040482815742
            1.45910963375382         0.01125817732456
   2 1 1   6 1
            0.03346123558478         0.08818658740224
            0.05151940363231         0.58260237820929
            0.07738002968199         0.54658006457823
            0.15983961068635        -0.20802232268177
            0.26020387540583        -0.11173787974342
            1.20787383621113         0.00283906105737
#
Dy GFN2-GTH-q20 GFN2-xTB-GTH-q20 GFN2-xTB-STO6G-GTH-q20 GFN2-UZH-q20 GFN2-xTB-UZH-q20 GFN2-xTB-STO6G-UZH-q20 GFN2-q20 GFN2-xTB-q20 GFN2-xTB-STO6G-q20
  3
   3 2 2   6 1
            7.35914782799284        -0.00409737701900
            2.84573504184020        -0.02508271857000
            0.76793506642805         0.26484585550000
            0.45660999701051         0.50974370540000
            0.28293526605818         0.26544834670000
            0.17589389454886         0.02623132212000
   1 0 0   6 1
            0.05703243193482         0.30196096126945
            0.08948893119550         1.30476826651687
            0.22818202725411        -0.84237061150133
            0.42579387701850        -0.08693662797569
            0.68060122823855         0.08040482815742
            1.46670905064540         0.01125817732456
   2 1 1   6 1
            0.03374402118458         0.08818658740224
            0.05195480134559         0.58260237820929
            0.07803397917678         0.54658006457823
            0.16119043767732        -0.20802232268177
            0.26240289488882        -0.11173787974342
            1.21808174758325         0.00283906105737
#
Ho GFN2-GTH-q21 GFN2-xTB-GTH-q21 GFN2-xTB-STO6G-GTH-q21 GFN2-UZH-q21 GFN2-xTB-UZH-q21 GFN2-xTB-STO6G-UZH-q21 GFN2-q21 GFN2-xTB-q21 GFN2-xTB-STO6G-q21
  3
   3 2 2   6 1
            7.37090795084194        -0.00409737701900
            2.85028260556228        -0.02508271857000
            0.76916224801652         0.26484585550000
            0.45733967248170         0.50974370540000
            0.28338740448031         0.26544834670000
            0.17617497788305         0.02623132212000
   1 0 0   6 1
            0.05732869993722         0.30196096126945
            0.08995380190121         1.30476826651687
            0.22936737094549        -0.84237061150133
            0.42800576062751        -0.08693662797569
            0.68413676686949         0.08040482815742
            1.47432820602413         0.01125817732456
   2 1 1   6 1
            0.03402799669203         0.08818658740224
            0.05239203112908         0.58260237820929
            0.07869068036583         0.54658006457823
            0.16254694868960        -0.20802232268177
            0.26461116742472        -0.11173787974342
            1.22833261189175         0.00283906105737
#
Er GFN2-GTH-q22 GFN2-xTB-GTH-q22 GFN2-xTB-STO6G-GTH-q22 GFN2-UZH-q22 GFN2-xTB-UZH-q22 GFN2-xTB-STO6G-UZH-q22 GFN2-q22 GFN2-xTB-q22 GFN2-xTB-STO6G-q22
  3
   3 2 2   6 1
            7.38268256638032        -0.00409737701900
            2.85483577351392        -0.02508271857000
            0.77039094193285         0.26484585550000
            0.45807024717479         0.50974370540000
            0.28384010009914         0.26544834670000
            0.17645640761273         0.02623132212000
   1 0 0   6 1
            0.05762580054412         0.30196096126945
            0.09041997903705         1.30476826651687
            0.23055604581840        -0.84237061150133
            0.43022386031197        -0.08693662797569
            0.68768224145491         0.08040482815742
            1.48196877358043         0.01125817732456
   2 1 1   6 1
            0.03431316210714         0.08818658740224
            0.05283109298278         0.58260237820929
            0.07935013324913         0.54658006457823
            0.16390914372319        -0.20802232268177
            0.26682869301351        -0.11173787974342
            1.23862642913660         0.00283906105737
#
Tm GFN2-GTH-q23 GFN2-xTB-GTH-q23 GFN2-xTB-STO6G-GTH-q23 GFN2-UZH-q23 GFN2-xTB-UZH-q23 GFN2-xTB-STO6G-UZH-q23 GFN2-q23 GFN2-xTB-q23 GFN2-xTB-STO6G-q23
  3
   3 2 2   6 1
            7.39446657906124        -0.00409737701900
            2.85939257528002        -0.02508271857000
            0.77162061645120         0.26484585550000
            0.45880140492848         0.50974370540000
            0.28429315700750         0.26544834670000
            0.17673806194721         0.02623132212000
   1 0 0   6 1
            0.05792360376183         0.30196096126945
            0.09088725863140         1.30476826651687
            0.23174753177882        -0.84237061150133
            0.43244720556226        -0.08693662797569
            0.69123610070423         0.08040482815742
            1.48962741025260         0.01125817732456
   2 1 1   6 1
            0.03459946700814         0.08818658740224
            0.05327190927361         0.58260237820929
            0.08001222122499         0.54658006457823
            0.16527678192051        -0.20802232268177
            0.26905507956166        -0.11173787974342
            1.24896137920838         0.00283906105737
#
Yb GFN2-GTH-q24 GFN2-xTB-GTH-q24 GFN2-xTB-STO6G-GTH-q24 GFN2-UZH-q24 GFN2-xTB-UZH-q24 GFN2-xTB-STO6G-UZH-q24 GFN2-q24 GFN2-xTB-q24 GFN2-xTB-STO6G-q24
  3
   3 2 2   6 1
            7.40625487705354        -0.00409737701900
            2.86395103414841        -0.02508271857000
            0.77285073814646         0.26484585550000
            0.45953282857111         0.50974370540000
            0.28474637867213         0.26544834670000
            0.17701981870661         0.02623132212000
   1 0 0   6 1
            0.05822217450321         0.30196096126945
            0.09135574253829         1.30476826651687
            0.23294208853777        -0.84237061150133
            0.43467628100626        -0.08693662797569
            0.69479911926064         0.08040482815742
            1.49730578541191         0.01125817732456
   2 1 1   6 1
            0.03488701202947         0.08818658740224
            0.05371463494578         0.58260237820929
            0.08067717701327         0.54658006457823
            0.16665034399795        -0.20802232268177
            0.27129110963034        -0.11173787974342
            1.25934109477845         0.00283906105737
#
Lu GFN2-GTH-q25 GFN2-xTB-GTH-q25 GFN2-xTB-STO6G-GTH-q25 GFN2-UZH-q25 GFN2-xTB-UZH-q25 GFN2-xTB-STO6G-UZH-q25 GFN2-q25 GFN2-xTB-q25 GFN2-xTB-STO6G-q25
  3
   3 2 2   6 1
            7.41805767994800        -0.00409737701900
            2.86851510196900        -0.02508271857000
            0.77408237344400         0.26484585550000
            0.46026515219340         0.50974370540000
            0.28520015800300         0.26544834670000
            0.17730192215340         0.02623132212000
   1 0 0   6 1
            0.05852151276827         0.30196096126945
            0.09182543075774         1.30476826651687
            0.23413971609527        -0.84237061150133
            0.43691108664396        -0.08693662797569
            0.69837129712413         0.08040482815742
            1.50500389905836         0.01125817732456
   2 1 1   6 1
            0.03517574695845         0.08818658740224
            0.05415919268817         0.58260237820929
            0.08134488449581         0.54658006457823
            0.16802959009670        -0.20802232268177
            0.27353639275192        -0.11173787974342
            1.26976376328489         0.00283906105737
#
Hf GFN2-GTH-q12 GFN2-xTB-GTH-q12 GFN2-xTB-STO6G-GTH-q12 GFN2-UZH-q12 GFN2-xTB-UZH-q12 GFN2-xTB-STO6G-UZH-q12 GFN2-q12 GFN2-xTB-q12 GFN2-xTB-STO6G-q12
  3
   3 2 2   6 1
            6.14163199698893        -0.00409737701900
            2.37492951581124        -0.02508271857000
            0.64088596748174         0.26484585550000
            0.38106729655812         0.50974370540000
            0.23612574767008         0.26544834670000
            0.14679356850628         0.02623132212000
   1 0 0   6 1
            0.08847782846898         0.30196096126945
            0.13882954023838         1.30476826651687
            0.35399244924655        -0.84237061150133
            0.66055955069639        -0.08693662797569
            1.05585746013238         0.08040482815742
            2.27539362068977         0.01125817732456
   2 1 1   6 1
            0.03743158742584         0.08818658740224
            0.05763245222381         0.58260237820929
            0.08656157776112         0.54658006457823
            0.17880542236278        -0.20802232268177
            0.29107843570559        -0.11173787974342
            1.35119442869822         0.00283906105737
#
Ta GFN2-GTH-q5 GFN2-xTB-GTH-q5 GFN2-xTB-STO6G-GTH-q5 GFN2-UZH-q5 GFN2-xTB-UZH-q5 GFN2-xTB-STO6G-UZH-q5 GFN2-q5 GFN2-xTB-q5 GFN2-xTB-STO6G-q5
  3
   3 2 2   6 1
            3.59545213457729        -0.00409737701900
            1.39033817090971        -0.02508271857000
            0.37518933419205         0.26484585550000
            0.22308552930218         0.50974370540000
            0.13823342458573         0.26544834670000
            0.08593631944846         0.02623132212000
   1 0 0   6 1
            0.07324317214871         0.30196096126945
            0.11492501670710         1.30476826651687
            0.29303985357864        -0.84237061150133
            0.54682034723634        -0.08693662797569
            0.87405343299175         0.08040482815742
            1.88360236174500         0.01125817732456
   2 1 1   6 1
            0.03640281350903         0.08818658740224
            0.05604847548953         0.58260237820929
            0.08418250971932         0.54658006457823
            0.17389111422463        -0.20802232268177
            0.28307840356715        -0.11173787974342
            1.31405805056473         0.00283906105737
#
Ta GFN2-GTH-q13 GFN2-xTB-GTH-q13 GFN2-xTB-STO6G-GTH-q13 GFN2-UZH-q13 GFN2-xTB-UZH-q13 GFN2-xTB-STO6G-UZH-q13 GFN2-q13 GFN2-xTB-q13 GFN2-xTB-STO6G-q13
  3
   3 2 2   6 1
            3.59545213457729        -0.00409737701900
            1.39033817090971        -0.02508271857000
            0.37518933419205         0.26484585550000
            0.22308552930218         0.50974370540000
            0.13823342458573         0.26544834670000
            0.08593631944846         0.02623132212000
   1 0 0   6 1
            0.07324317214871         0.30196096126945
            0.11492501670710         1.30476826651687
            0.29303985357864        -0.84237061150133
            0.54682034723634        -0.08693662797569
            0.87405343299175         0.08040482815742
            1.88360236174500         0.01125817732456
   2 1 1   6 1
            0.03640281350903         0.08818658740224
            0.05604847548953         0.58260237820929
            0.08418250971932         0.54658006457823
            0.17389111422463        -0.20802232268177
            0.28307840356715        -0.11173787974342
            1.31405805056473         0.00283906105737
#
W GFN2-GTH-q6 GFN2-xTB-GTH-q6 GFN2-xTB-STO6G-GTH-q6 GFN2-UZH-q6 GFN2-xTB-UZH-q6 GFN2-xTB-STO6G-UZH-q6 GFN2-q6 GFN2-xTB-q6 GFN2-xTB-STO6G-q6
  3
   3 2 2   6 1
            4.09963688411894        -0.00409737701900
            1.58530316452955        -0.02508271857000
            0.42780156025150         0.26484585550000
            0.25436847161586         0.50974370540000
            0.15761768613180         0.26544834670000
            0.09798703798841         0.02623132212000
   1 0 0   6 1
            0.06577816444837         0.30196096126945
            0.10321175921823         1.30476826651687
            0.26317297726384        -0.84237061150133
            0.49108794265766        -0.08693662797569
            0.78496914818581         0.08040482815742
            1.69162397355826         0.01125817732456
   2 1 1   6 1
            0.03905997309304         0.08818658740224
            0.06013963574502         0.58260237820929
            0.09032726450459         0.54658006457823
            0.18658399140077        -0.20802232268177
            0.30374121560167        -0.11173787974342
            1.40997541536232         0.00283906105737
#
W GFN2-GTH-q14 GFN2-xTB-GTH-q14 GFN2-xTB-STO6G-GTH-q14 GFN2-UZH-q14 GFN2-xTB-UZH-q14 GFN2-xTB-STO6G-UZH-q14 GFN2-q14 GFN2-xTB-q14 GFN2-xTB-STO6G-q14
  3
   3 2 2   6 1
            4.09963688411894        -0.00409737701900
            1.58530316452955        -0.02508271857000
            0.42780156025150         0.26484585550000
            0.25436847161586         0.50974370540000
            0.15761768613180         0.26544834670000
            0.09798703798841         0.02623132212000
   1 0 0   6 1
            0.06577816444837         0.30196096126945
            0.10321175921823         1.30476826651687
            0.26317297726384        -0.84237061150133
            0.49108794265766        -0.08693662797569
            0.78496914818581         0.08040482815742
            1.69162397355826         0.01125817732456
   2 1 1   6 1
            0.03905997309304         0.08818658740224
            0.06013963574502         0.58260237820929
            0.09032726450459         0.54658006457823
            0.18658399140077        -0.20802232268177
            0.30374121560167        -0.11173787974342
            1.40997541536232         0.00283906105737
#
Re GFN2-GTH-q7 GFN2-xTB-GTH-q7 GFN2-xTB-STO6G-GTH-q7 GFN2-UZH-q7 GFN2-xTB-UZH-q7 GFN2-xTB-STO6G-UZH-q7 GFN2-q7 GFN2-xTB-q7 GFN2-xTB-STO6G-q7
  3
   3 2 2   6 1
            4.51627131915156        -0.00409737701900
            1.74641301571364        -0.02508271857000
            0.47127781592963         0.26484585550000
            0.28021921582990         0.50974370540000
            0.17363592322667         0.26544834670000
            0.10794518193305         0.02623132212000
   1 0 0   6 1
            0.08793159802243         0.30196096126945
            0.13797245634436         1.30476826651687
            0.35180702655960        -0.84237061150133
            0.65648149244614        -0.08693662797569
            1.04933897406728         0.08040482815742
            2.26134615484411         0.01125817732456
   2 1 1   6 1
            0.04922676853400         0.08818658740224
            0.07579318914245         0.58260237820929
            0.11383825921963         0.54658006457823
            0.23514934162802        -0.20802232268177
            0.38280104492250        -0.11173787974342
            1.77697340562290         0.00283906105737
#
Re GFN2-GTH-q15 GFN2-xTB-GTH-q15 GFN2-xTB-STO6G-GTH-q15 GFN2-UZH-q15 GFN2-xTB-UZH-q15 GFN2-xTB-STO6G-UZH-q15 GFN2-q15 GFN2-xTB-q15 GFN2-xTB-STO6G-q15
  3
   3 2 2   6 1
            4.51627131915156        -0.00409737701900
            1.74641301571364        -0.02508271857000
            0.47127781592963         0.26484585550000
            0.28021921582990         0.50974370540000
            0.17363592322667         0.26544834670000
            0.10794518193305         0.02623132212000
   1 0 0   6 1
            0.08793159802243         0.30196096126945
            0.13797245634436         1.30476826651687
            0.35180702655960        -0.84237061150133
            0.65648149244614        -0.08693662797569
            1.04933897406728         0.08040482815742
            2.26134615484411         0.01125817732456
   2 1 1   6 1
            0.04922676853400         0.08818658740224
            0.07579318914245         0.58260237820929
            0.11383825921963         0.54658006457823
            0.23514934162802        -0.20802232268177
            0.38280104492250        -0.11173787974342
            1.77697340562290         0.00283906105737
#
Os GFN2-GTH-q8 GFN2-xTB-GTH-q8 GFN2-xTB-STO6G-GTH-q8 GFN2-UZH-q8 GFN2-xTB-UZH-q8 GFN2-xTB-STO6G-UZH-q8 GFN2-q8 GFN2-xTB-q8 GFN2-xTB-STO6G-q8
  3
   3 2 2   6 1
            5.55538229938233        -0.00409737701900
            2.14823053561120        -0.02508271857000
            0.57971017498543         0.26484585550000
            0.34469250440442         0.50974370540000
            0.21358635614734         0.26544834670000
            0.13278138327773         0.02623132212000
   1 0 0   6 1
            0.08684501009457         0.30196096126945
            0.13626750375834         1.30476826651687
            0.34745967843226        -0.84237061150133
            0.64836922244764        -0.08693662797569
            1.03637208745200         0.08040482815742
            2.23340225881774         0.01125817732456
   2 1 1   6 1
            0.04690279911107         0.08818658740224
            0.07221503320657         0.58260237820929
            0.10846401586656         0.54658006457823
            0.22404806693456        -0.20802232268177
            0.36472921225988        -0.11173787974342
            1.69308344121892         0.00283906105737
#
Os GFN2-GTH-q16 GFN2-xTB-GTH-q16 GFN2-xTB-STO6G-GTH-q16 GFN2-UZH-q16 GFN2-xTB-UZH-q16 GFN2-xTB-STO6G-UZH-q16 GFN2-q16 GFN2-xTB-q16 GFN2-xTB-STO6G-q16
  3
   3 2 2   6 1
            5.55538229938233        -0.00409737701900
            2.14823053561120        -0.02508271857000
            0.57971017498543         0.26484585550000
            0.34469250440442         0.50974370540000
            0.21358635614734         0.26544834670000
            0.13278138327773         0.02623132212000
   1 0 0   6 1
            0.08684501009457         0.30196096126945
            0.13626750375834         1.30476826651687
            0.34745967843226        -0.84237061150133
            0.64836922244764        -0.08693662797569
            1.03637208745200         0.08040482815742
            2.23340225881774         0.01125817732456
   2 1 1   6 1
            0.04690279911107         0.08818658740224
            0.07221503320657         0.58260237820929
            0.10846401586656         0.54658006457823
            0.22404806693456        -0.20802232268177
            0.36472921225988        -0.11173787974342
            1.69308344121892         0.00283906105737
#
Ir GFN2-GTH-q9 GFN2-xTB-GTH-q9 GFN2-xTB-STO6G-GTH-q9 GFN2-UZH-q9 GFN2-xTB-UZH-q9 GFN2-xTB-STO6G-UZH-q9 GFN2-q9 GFN2-xTB-q9 GFN2-xTB-STO6G-q9
  3
   3 2 2   6 1
            6.70030955149430        -0.00409737701900
            2.59096652595228        -0.02508271857000
            0.69918457690754         0.26484585550000
            0.41573133136962         0.50974370540000
            0.25760508008999         0.26544834670000
            0.16014674106862         0.02623132212000
   1 0 0   6 1
            0.08239406190727         0.30196096126945
            0.12928357229030         1.30476826651687
            0.32965180410311        -0.84237061150133
            0.61513924398127        -0.08693662797569
            0.98325633032341         0.08040482815742
            2.11893675614152         0.01125817732456
   2 1 1   6 1
            0.05186829515321         0.08818658740224
            0.07986027972419         0.58260237820929
            0.11994686234284         0.54658006457823
            0.24776754233257        -0.20802232268177
            0.40334229067426        -0.11173787974342
            1.87232645625688         0.00283906105737
#
Ir GFN2-GTH-q17 GFN2-xTB-GTH-q17 GFN2-xTB-STO6G-GTH-q17 GFN2-UZH-q17 GFN2-xTB-UZH-q17 GFN2-xTB-STO6G-UZH-q17 GFN2-q17 GFN2-xTB-q17 GFN2-xTB-STO6G-q17
  3
   3 2 2   6 1
            6.70030955149430        -0.00409737701900
            2.59096652595228        -0.02508271857000
            0.69918457690754         0.26484585550000
            0.41573133136962         0.50974370540000
            0.25760508008999         0.26544834670000
            0.16014674106862         0.02623132212000
   1 0 0   6 1
            0.08239406190727         0.30196096126945
            0.12928357229030         1.30476826651687
            0.32965180410311        -0.84237061150133
            0.61513924398127        -0.08693662797569
            0.98325633032341         0.08040482815742
            2.11893675614152         0.01125817732456
   2 1 1   6 1
            0.05186829515321         0.08818658740224
            0.07986027972419         0.58260237820929
            0.11994686234284         0.54658006457823
            0.24776754233257        -0.20802232268177
            0.40334229067426        -0.11173787974342
            1.87232645625688         0.00283906105737
#
Pt GFN2-GTH-q10 GFN2-xTB-GTH-q10 GFN2-xTB-STO6G-GTH-q10 GFN2-UZH-q10 GFN2-xTB-UZH-q10 GFN2-xTB-STO6G-UZH-q10 GFN2-q10 GFN2-xTB-q10 GFN2-xTB-STO6G-q10
  3
   3 2 2   6 1
            6.45157295010636        -0.00409737701900
            2.49478168508451        -0.02508271857000
            0.67322864247403         0.26484585550000
            0.40029807449385         0.50974370540000
            0.24804196787414         0.26544834670000
            0.15420158946173         0.02623132212000
   1 0 0   6 1
            0.09968253695877         0.30196096126945
            0.15641071910613         1.30476826651687
            0.39882155807561        -0.84237061150133
            0.74421188861848        -0.08693662797569
            1.18956977260963         0.08040482815742
            2.56354628741457         0.01125817732456
   2 1 1   6 1
            0.04840566350457         0.08818658740224
            0.07452895485174         0.58260237820929
            0.11193943120449         0.54658006457823
            0.23122703852285        -0.20802232268177
            0.37641590381700        -0.11173787974342
            1.74733339787965         0.00283906105737
#
Pt GFN2-GTH-q18 GFN2-xTB-GTH-q18 GFN2-xTB-STO6G-GTH-q18 GFN2-UZH-q18 GFN2-xTB-UZH-q18 GFN2-xTB-STO6G-UZH-q18 GFN2-q18 GFN2-xTB-q18 GFN2-xTB-STO6G-q18
  3
   3 2 2   6 1
            6.45157295010636        -0.00409737701900
            2.49478168508451        -0.02508271857000
            0.67322864247403         0.26484585550000
            0.40029807449385         0.50974370540000
            0.24804196787414         0.26544834670000
            0.15420158946173         0.02623132212000
   1 0 0   6 1
            0.09968253695877         0.30196096126945
            0.15641071910613         1.30476826651687
            0.39882155807561        -0.84237061150133
            0.74421188861848        -0.08693662797569
            1.18956977260963         0.08040482815742
            2.56354628741457         0.01125817732456
   2 1 1   6 1
            0.04840566350457         0.08818658740224
            0.07452895485174         0.58260237820929
            0.11193943120449         0.54658006457823
            0.23122703852285        -0.20802232268177
            0.37641590381700        -0.11173787974342
            1.74733339787965         0.00283906105737
#
Au GFN2-GTH-q1 GFN2-xTB-GTH-q1 GFN2-xTB-STO6G-GTH-q1 GFN2-UZH-q1 GFN2-xTB-UZH-q1 GFN2-xTB-STO6G-UZH-q1 GFN2-q1 GFN2-xTB-q1 GFN2-xTB-STO6G-q1
  3
   3 2 2   6 1
            9.26678708784540        -0.00409737701900
            3.58340685056552        -0.02508271857000
            0.96699929451207         0.26484585550000
            0.57497249999287         0.50974370540000
            0.35627778263005         0.26544834670000
            0.22148913283629         0.02623132212000
   1 0 0   6 1
            0.08757999052357         0.30196096126945
            0.13742075307298         1.30476826651687
            0.35040027413531        -0.84237061150133
            0.65385645411184        -0.08693662797569
            1.04514303699319         0.08040482815742
            2.25230382781449         0.01125817732456
   2 1 1   6 1
            0.07981843771823         0.08818658740224
            0.12289439520804         0.58260237820929
            0.18458233749788         0.54658006457823
            0.38128143768475        -0.20802232268177
            0.62069037380578        -0.11173787974342
            2.88126247827325         0.00283906105737
#
Au GFN2-GTH-q11 GFN2-xTB-GTH-q11 GFN2-xTB-STO6G-GTH-q11 GFN2-UZH-q11 GFN2-xTB-UZH-q11 GFN2-xTB-STO6G-UZH-q11 GFN2-q11 GFN2-xTB-q11 GFN2-xTB-STO6G-q11
  3
   3 2 2   6 1
            9.26678708784540        -0.00409737701900
            3.58340685056552        -0.02508271857000
            0.96699929451207         0.26484585550000
            0.57497249999287         0.50974370540000
            0.35627778263005         0.26544834670000
            0.22148913283629         0.02623132212000
   1 0 0   6 1
            0.08757999052357         0.30196096126945
            0.13742075307298         1.30476826651687
            0.35040027413531        -0.84237061150133
            0.65385645411184        -0.08693662797569
            1.04514303699319         0.08040482815742
            2.25230382781449         0.01125817732456
   2 1 1   6 1
            0.07981843771823         0.08818658740224
            0.12289439520804         0.58260237820929
            0.18458233749788         0.54658006457823
            0.38128143768475        -0.20802232268177
            0.62069037380578        -0.11173787974342
            2.88126247827325         0.00283906105737
#
Au GFN2-GTH-q19 GFN2-xTB-GTH-q19 GFN2-xTB-STO6G-GTH-q19 GFN2-UZH-q19 GFN2-xTB-UZH-q19 GFN2-xTB-STO6G-UZH-q19 GFN2-q19 GFN2-xTB-q19 GFN2-xTB-STO6G-q19
  3
   3 2 2   6 1
            9.26678708784540        -0.00409737701900
            3.58340685056552        -0.02508271857000
            0.96699929451207         0.26484585550000
            0.57497249999287         0.50974370540000
            0.35627778263005         0.26544834670000
            0.22148913283629         0.02623132212000
   1 0 0   6 1
            0.08757999052357         0.30196096126945
            0.13742075307298         1.30476826651687
            0.35040027413531        -0.84237061150133
            0.65385645411184        -0.08693662797569
            1.04514303699319         0.08040482815742
            2.25230382781449         0.01125817732456
   2 1 1   6 1
            0.07981843771823         0.08818658740224
            0.12289439520804         0.58260237820929
            0.18458233749788         0.54658006457823
            0.38128143768475        -0.20802232268177
            0.62069037380578        -0.11173787974342
            2.88126247827325         0.00283906105737
#
Hg GFN2-GTH-q2 GFN2-xTB-GTH-q2 GFN2-xTB-STO6G-GTH-q2 GFN2-UZH-q2 GFN2-xTB-UZH-q2 GFN2-xTB-STO6G-UZH-q2 GFN2-q2 GFN2-xTB-q2 GFN2-xTB-STO6G-q2
  2
   1 0 0   6 1
            0.09256997655166         0.30196096126945
            0.14525048260028         1.30476826651687
            0.37036479413264        -0.84237061150133
            0.69111079212773        -0.08693662797569
            1.10469144663302         0.08040482815742
            2.38063182333739         0.01125817732456
   2 1 1   6 1
            0.03974126434645         0.08818658740224
            0.06118860236154         0.58260237820929
            0.09190276930857         0.54658006457823
            0.18983842378518        -0.20802232268177
            0.30903912589457        -0.11173787974342
            1.43456846655884         0.00283906105737
#
Hg GFN2-GTH-q12 GFN2-xTB-GTH-q12 GFN2-xTB-STO6G-GTH-q12 GFN2-UZH-q12 GFN2-xTB-UZH-q12 GFN2-xTB-STO6G-UZH-q12 GFN2-q12 GFN2-xTB-q12 GFN2-xTB-STO6G-q12
  2
   1 0 0   6 1
            0.09256997655166         0.30196096126945
            0.14525048260028         1.30476826651687
            0.37036479413264        -0.84237061150133
            0.69111079212773        -0.08693662797569
            1.10469144663302         0.08040482815742
            2.38063182333739         0.01125817732456
   2 1 1   6 1
            0.03974126434645         0.08818658740224
            0.06118860236154         0.58260237820929
            0.09190276930857         0.54658006457823
            0.18983842378518        -0.20802232268177
            0.30903912589457        -0.11173787974342
            1.43456846655884         0.00283906105737
#
Hg GFN2-GTH-q20 GFN2-xTB-GTH-q20 GFN2-xTB-STO6G-GTH-q20 GFN2-UZH-q20 GFN2-xTB-UZH-q20 GFN2-xTB-STO6G-UZH-q20 GFN2-q20 GFN2-xTB-q20 GFN2-xTB-STO6G-q20
  2
   1 0 0   6 1
            0.09256997655166         0.30196096126945
            0.14525048260028         1.30476826651687
            0.37036479413264        -0.84237061150133
            0.69111079212773        -0.08693662797569
            1.10469144663302         0.08040482815742
            2.38063182333739         0.01125817732456
   2 1 1   6 1
            0.03974126434645         0.08818658740224
            0.06118860236154         0.58260237820929
            0.09190276930857         0.54658006457823
            0.18983842378518        -0.20802232268177
            0.30903912589457        -0.11173787974342
            1.43456846655884         0.00283906105737
#
Tl GFN2-GTH-q3 GFN2-xTB-GTH-q3 GFN2-xTB-STO6G-GTH-q3 GFN2-UZH-q3 GFN2-xTB-UZH-q3 GFN2-xTB-STO6G-UZH-q3 GFN2-q3 GFN2-xTB-q3 GFN2-xTB-STO6G-q3
  2
   1 0 0   6 1
            0.09671719080282         0.30196096126945
            0.15175782865207         1.30476826651687
            0.38695745418908        -0.84237061150133
            0.72207314766686        -0.08693662797569
            1.15418256979489         0.08040482815742
            2.48728616843163         0.01125817732456
   2 1 1   6 1
            0.05508041866102         0.08818658740224
            0.08480590365659         0.58260237820929
            0.12737498650003         0.54658006457823
            0.26311140402783        -0.20802232268177
            0.42832065654773        -0.11173787974342
            1.98827674547844         0.00283906105737
#
Tl GFN2-GTH-q13 GFN2-xTB-GTH-q13 GFN2-xTB-STO6G-GTH-q13 GFN2-UZH-q13 GFN2-xTB-UZH-q13 GFN2-xTB-STO6G-UZH-q13 GFN2-q13 GFN2-xTB-q13 GFN2-xTB-STO6G-q13
  2
   1 0 0   6 1
            0.09671719080282         0.30196096126945
            0.15175782865207         1.30476826651687
            0.38695745418908        -0.84237061150133
            0.72207314766686        -0.08693662797569
            1.15418256979489         0.08040482815742
            2.48728616843163         0.01125817732456
   2 1 1   6 1
            0.05508041866102         0.08818658740224
            0.08480590365659         0.58260237820929
            0.12737498650003         0.54658006457823
            0.26311140402783        -0.20802232268177
            0.42832065654773        -0.11173787974342
            1.98827674547844         0.00283906105737
#
Tl GFN2-GTH-q21 GFN2-xTB-GTH-q21 GFN2-xTB-STO6G-GTH-q21 GFN2-UZH-q21 GFN2-xTB-UZH-q21 GFN2-xTB-STO6G-UZH-q21 GFN2-q21 GFN2-xTB-q21 GFN2-xTB-STO6G-q21
  2
   1 0 0   6 1
            0.09671719080282         0.30196096126945
            0.15175782865207         1.30476826651687
            0.38695745418908        -0.84237061150133
            0.72207314766686        -0.08693662797569
            1.15418256979489         0.08040482815742
            2.48728616843163         0.01125817732456
   2 1 1   6 1
            0.05508041866102         0.08818658740224
            0.08480590365659         0.58260237820929
            0.12737498650003         0.54658006457823
            0.26311140402783        -0.20802232268177
            0.42832065654773        -0.11173787974342
            1.98827674547844         0.00283906105737
#
Pb GFN2-GTH-q4 GFN2-xTB-GTH-q4 GFN2-xTB-STO6G-GTH-q4 GFN2-UZH-q4 GFN2-xTB-UZH-q4 GFN2-xTB-STO6G-UZH-q4 GFN2-q4 GFN2-xTB-q4 GFN2-xTB-STO6G-q4
  2
   1 0 0   6 1
            0.16105956020056         0.30196096126945
            0.25271669841533         1.30476826651687
            0.64438593460682        -0.84237061150133
            1.20244170276776        -0.08693662797569
            1.92201753937725         0.08040482815742
            4.14198564965818         0.01125817732456
   2 1 1   6 1
            0.07007585299181         0.08818658740224
            0.10789398813489         0.58260237820929
            0.16205234175402         0.54658006457823
            0.33474248230746        -0.20802232268177
            0.54492932499871        -0.11173787974342
            2.52957752156288         0.00283906105737
#
Pb GFN2-GTH-q14 GFN2-xTB-GTH-q14 GFN2-xTB-STO6G-GTH-q14 GFN2-UZH-q14 GFN2-xTB-UZH-q14 GFN2-xTB-STO6G-UZH-q14 GFN2-q14 GFN2-xTB-q14 GFN2-xTB-STO6G-q14
  2
   1 0 0   6 1
            0.16105956020056         0.30196096126945
            0.25271669841533         1.30476826651687
            0.64438593460682        -0.84237061150133
            1.20244170276776        -0.08693662797569
            1.92201753937725         0.08040482815742
            4.14198564965818         0.01125817732456
   2 1 1   6 1
            0.07007585299181         0.08818658740224
            0.10789398813489         0.58260237820929
            0.16205234175402         0.54658006457823
            0.33474248230746        -0.20802232268177
            0.54492932499871        -0.11173787974342
            2.52957752156288         0.00283906105737
#
Pb GFN2-GTH-q22 GFN2-xTB-GTH-q22 GFN2-xTB-STO6G-GTH-q22 GFN2-UZH-q22 GFN2-xTB-UZH-q22 GFN2-xTB-STO6G-UZH-q22 GFN2-q22 GFN2-xTB-q22 GFN2-xTB-STO6G-q22
  2
   1 0 0   6 1
            0.16105956020056         0.30196096126945
            0.25271669841533         1.30476826651687
            0.64438593460682        -0.84237061150133
            1.20244170276776        -0.08693662797569
            1.92201753937725         0.08040482815742
            4.14198564965818         0.01125817732456
   2 1 1   6 1
            0.07007585299181         0.08818658740224
            0.10789398813489         0.58260237820929
            0.16205234175402         0.54658006457823
            0.33474248230746        -0.20802232268177
            0.54492932499871        -0.11173787974342
            2.52957752156288         0.00283906105737
#
Bi GFN2-GTH-q5 GFN2-xTB-GTH-q5 GFN2-xTB-STO6G-GTH-q5 GFN2-UZH-q5 GFN2-xTB-UZH-q5 GFN2-xTB-STO6G-UZH-q5 GFN2-q5 GFN2-xTB-q5 GFN2-xTB-STO6G-q5
  2
   1 0 0   6 1
            0.14285587441706         0.30196096126945
            0.22415350499504         1.30476826651687
            0.57155449844569        -0.84237061150133
            1.06653625944668        -0.08693662797569
            1.70478235437102         0.08040482815742
            3.67383954773020         0.01125817732456
   2 1 1   6 1
            0.09524606217169         0.08818658740224
            0.14664791170003         0.58260237820929
            0.22025914432429         0.54658006457823
            0.45497702732333        -0.20802232268177
            0.74065987286758        -0.11173787974342
            3.43816432623420         0.00283906105737
#
Bi GFN2-GTH-q15 GFN2-xTB-GTH-q15 GFN2-xTB-STO6G-GTH-q15 GFN2-UZH-q15 GFN2-xTB-UZH-q15 GFN2-xTB-STO6G-UZH-q15 GFN2-q15 GFN2-xTB-q15 GFN2-xTB-STO6G-q15
  2
   1 0 0   6 1
            0.14285587441706         0.30196096126945
            0.22415350499504         1.30476826651687
            0.57155449844569        -0.84237061150133
            1.06653625944668        -0.08693662797569
            1.70478235437102         0.08040482815742
            3.67383954773020         0.01125817732456
   2 1 1   6 1
            0.09524606217169         0.08818658740224
            0.14664791170003         0.58260237820929
            0.22025914432429         0.54658006457823
            0.45497702732333        -0.20802232268177
            0.74065987286758        -0.11173787974342
            3.43816432623420         0.00283906105737
#
Bi GFN2-GTH-q23 GFN2-xTB-GTH-q23 GFN2-xTB-STO6G-GTH-q23 GFN2-UZH-q23 GFN2-xTB-UZH-q23 GFN2-xTB-STO6G-UZH-q23 GFN2-q23 GFN2-xTB-q23 GFN2-xTB-STO6G-q23
  2
   1 0 0   6 1
            0.14285587441706         0.30196096126945
            0.22415350499504         1.30476826651687
            0.57155449844569        -0.84237061150133
            1.06653625944668        -0.08693662797569
            1.70478235437102         0.08040482815742
            3.67383954773020         0.01125817732456
   2 1 1   6 1
            0.09524606217169         0.08818658740224
            0.14664791170003         0.58260237820929
            0.22025914432429         0.54658006457823
            0.45497702732333        -0.20802232268177
            0.74065987286758        -0.11173787974342
            3.43816432623420         0.00283906105737
#
Po GFN2-GTH-q6 GFN2-xTB-GTH-q6 GFN2-xTB-STO6G-GTH-q6 GFN2-UZH-q6 GFN2-xTB-UZH-q6 GFN2-xTB-STO6G-UZH-q6 GFN2-q6 GFN2-xTB-q6 GFN2-xTB-STO6G-q6
  2
   1 0 0   6 1
            0.20190481077598         0.30196096126945
            0.31680651002611         1.30476826651687
            0.80780439255815        -0.84237061150133
            1.50738499573795        -0.08693662797569
            2.40944770439487         0.08040482815742
            5.19240725474281         0.01125817732456
   2 1 1   6 1
            0.10488277433743         0.08818658740224
            0.16148530951509         0.58260237820929
            0.24254430685309         0.54658006457823
            0.50101024438625        -0.20802232268177
            0.81559762719353        -0.11173787974342
            3.78602752640201         0.00283906105737
#
Po GFN2-GTH-q16 GFN2-xTB-GTH-q16 GFN2-xTB-STO6G-GTH-q16 GFN2-UZH-q16 GFN2-xTB-UZH-q16 GFN2-xTB-STO6G-UZH-q16 GFN2-q16 GFN2-xTB-q16 GFN2-xTB-STO6G-q16
  2
   1 0 0   6 1
            0.20190481077598         0.30196096126945
            0.31680651002611         1.30476826651687
            0.80780439255815        -0.84237061150133
            1.50738499573795        -0.08693662797569
            2.40944770439487         0.08040482815742
            5.19240725474281         0.01125817732456
   2 1 1   6 1
            0.10488277433743         0.08818658740224
            0.16148530951509         0.58260237820929
            0.24254430685309         0.54658006457823
            0.50101024438625        -0.20802232268177
            0.81559762719353        -0.11173787974342
            3.78602752640201         0.00283906105737
#
Po GFN2-GTH-q24 GFN2-xTB-GTH-q24 GFN2-xTB-STO6G-GTH-q24 GFN2-UZH-q24 GFN2-xTB-UZH-q24 GFN2-xTB-STO6G-UZH-q24 GFN2-q24 GFN2-xTB-q24 GFN2-xTB-STO6G-q24
  2
   1 0 0   6 1
            0.20190481077598         0.30196096126945
            0.31680651002611         1.30476826651687
            0.80780439255815        -0.84237061150133
            1.50738499573795        -0.08693662797569
            2.40944770439487         0.08040482815742
            5.19240725474281         0.01125817732456
   2 1 1   6 1
            0.10488277433743         0.08818658740224
            0.16148530951509         0.58260237820929
            0.24254430685309         0.54658006457823
            0.50101024438625        -0.20802232268177
            0.81559762719353        -0.11173787974342
            3.78602752640201         0.00283906105737
#
At GFN2-GTH-q7 GFN2-xTB-GTH-q7 GFN2-xTB-STO6G-GTH-q7 GFN2-UZH-q7 GFN2-xTB-UZH-q7 GFN2-xTB-STO6G-UZH-q7 GFN2-q7 GFN2-xTB-q7 GFN2-xTB-STO6G-q7
  3
   1 0 0   6 1
            0.09059412578343         0.30196096126945
            0.14215019794729         1.30476826651687
            0.36245957917774        -0.84237061150133
            0.67635944573634        -0.08693662797569
            1.08111246860157         0.08040482815742
            2.32981866131415         0.01125817732456
   2 1 1   6 1
            0.10652694071709         0.08818658740224
            0.16401679019332         0.58260237820929
            0.24634648692914         0.54658006457823
            0.50886419566557        -0.20802232268177
            0.82838312229924        -0.11173787974342
            3.84537816058109         0.00283906105737
   3 2 2   6 1
            1.98461709630000        -0.00409737701900
            0.76743864202500        -0.02508271857000
            0.20709694890000         0.26484585550000
            0.12313871491500         0.50974370540000
            0.07630206367500         0.26544834670000
            0.04743511591500         0.02623132212000
#
At GFN2-GTH-q17 GFN2-xTB-GTH-q17 GFN2-xTB-STO6G-GTH-q17 GFN2-UZH-q17 GFN2-xTB-UZH-q17 GFN2-xTB-STO6G-UZH-q17 GFN2-q17 GFN2-xTB-q17 GFN2-xTB-STO6G-q17
  3
   1 0 0   6 1
            0.09059412578343         0.30196096126945
            0.14215019794729         1.30476826651687
            0.36245957917774        -0.84237061150133
            0.67635944573634        -0.08693662797569
            1.08111246860157         0.08040482815742
            2.32981866131415         0.01125817732456
   2 1 1   6 1
            0.10652694071709         0.08818658740224
            0.16401679019332         0.58260237820929
            0.24634648692914         0.54658006457823
            0.50886419566557        -0.20802232268177
            0.82838312229924        -0.11173787974342
            3.84537816058109         0.00283906105737
   3 2 2   6 1
            1.98461709630000        -0.00409737701900
            0.76743864202500        -0.02508271857000
            0.20709694890000         0.26484585550000
            0.12313871491500         0.50974370540000
            0.07630206367500         0.26544834670000
            0.04743511591500         0.02623132212000
#
At GFN2-GTH-q25 GFN2-xTB-GTH-q25 GFN2-xTB-STO6G-GTH-q25 GFN2-UZH-q25 GFN2-xTB-UZH-q25 GFN2-xTB-STO6G-UZH-q25 GFN2-q25 GFN2-xTB-q25 GFN2-xTB-STO6G-q25
  3
   1 0 0   6 1
            0.09059412578343         0.30196096126945
            0.14215019794729         1.30476826651687
            0.36245957917774        -0.84237061150133
            0.67635944573634        -0.08693662797569
            1.08111246860157         0.08040482815742
            2.32981866131415         0.01125817732456
   2 1 1   6 1
            0.10652694071709         0.08818658740224
            0.16401679019332         0.58260237820929
            0.24634648692914         0.54658006457823
            0.50886419566557        -0.20802232268177
            0.82838312229924        -0.11173787974342
            3.84537816058109         0.00283906105737
   3 2 2   6 1
            1.98461709630000        -0.00409737701900
            0.76743864202500        -0.02508271857000
            0.20709694890000         0.26484585550000
            0.12313871491500         0.50974370540000
            0.07630206367500         0.26544834670000
            0.04743511591500         0.02623132212000
#
Rn GFN2-GTH-q8 GFN2-xTB-GTH-q8 GFN2-xTB-STO6G-GTH-q8 GFN2-UZH-q8 GFN2-xTB-UZH-q8 GFN2-xTB-STO6G-UZH-q8 GFN2-q8 GFN2-xTB-q8 GFN2-xTB-STO6G-q8
  3
   1 0 0   6 1
            0.17765641689807         0.30196096126945
            0.27875863484832         1.30476826651687
            0.71078858093992        -0.84237061150133
            1.32635084919222        -0.08693662797569
            2.12007749701918         0.08040482815742
            4.56880875897828         0.01125817732456
   2 1 1   6 1
            0.11869560311082         0.08818658740224
            0.18275256663946         0.58260237820929
            0.27448685415591         0.54658006457823
            0.56699218244178        -0.20802232268177
            0.92301002587940        -0.11173787974342
            4.28463895505574         0.00283906105737
   3 2 2   6 1
            2.82618295033548        -0.00409737701900
            1.09286673462769        -0.02508271857000
            0.29491525954244         0.26484585550000
            0.17535500287073         0.50974370540000
            0.10865752987603         0.26544834670000
            0.06754971329033         0.02623132212000
#
Rn GFN2-GTH-q18 GFN2-xTB-GTH-q18 GFN2-xTB-STO6G-GTH-q18 GFN2-UZH-q18 GFN2-xTB-UZH-q18 GFN2-xTB-STO6G-UZH-q18 GFN2-q18 GFN2-xTB-q18 GFN2-xTB-STO6G-q18
  3
   1 0 0   6 1
            0.17765641689807         0.30196096126945
            0.27875863484832         1.30476826651687
            0.71078858093992        -0.84237061150133
            1.32635084919222        -0.08693662797569
            2.12007749701918         0.08040482815742
            4.56880875897828         0.01125817732456
   2 1 1   6 1
            0.11869560311082         0.08818658740224
            0.18275256663946         0.58260237820929
            0.27448685415591         0.54658006457823
            0.56699218244178        -0.20802232268177
            0.92301002587940        -0.11173787974342
            4.28463895505574         0.00283906105737
   3 2 2   6 1
            2.82618295033548        -0.00409737701900
            1.09286673462769        -0.02508271857000
            0.29491525954244         0.26484585550000
            0.17535500287073         0.50974370540000
            0.10865752987603         0.26544834670000
            0.06754971329033         0.02623132212000
#
Rn GFN2-GTH-q26 GFN2-xTB-GTH-q26 GFN2-xTB-STO6G-GTH-q26 GFN2-UZH-q26 GFN2-xTB-UZH-q26 GFN2-xTB-STO6G-UZH-q26 GFN2-q26 GFN2-xTB-q26 GFN2-xTB-STO6G-q26
  3
   1 0 0   6 1
            0.17765641689807         0.30196096126945
            0.27875863484832         1.30476826651687
            0.71078858093992        -0.84237061150133
            1.32635084919222        -0.08693662797569
            2.12007749701918         0.08040482815742
            4.56880875897828         0.01125817732456
   2 1 1   6 1
            0.11869560311082         0.08818658740224
            0.18275256663946         0.58260237820929
            0.27448685415591         0.54658006457823
            0.56699218244178        -0.20802232268177
            0.92301002587940        -0.11173787974342
            4.28463895505574         0.00283906105737
   3 2 2   6 1
            2.82618295033548        -0.00409737701900
            1.09286673462769        -0.02508271857000
            0.29491525954244         0.26484585550000
            0.17535500287073         0.50974370540000
            0.10865752987603         0.26544834670000
            0.06754971329033         0.02623132212000
#
