# all_value

name: aug-cc-pVDZ-DK
description: V5ZPD All-electron Douglas-Kroll Valence Quintuple Zeta + Polarization
elt: Ni
data:
NICKEL
S   19
  1      5.045991E+06           1.570000E-04     
  2      7.556142E+05           4.530000E-04     
  3      1.719568E+05           1.237000E-03     
  4      4.870479E+04           3.165000E-03     
  5      1.588841E+04           8.095000E-03     
  6      5.735123E+03           2.080400E-02     
  7      2.236137E+03           5.253400E-02     
  8      9.266468E+02           1.221290E-01     
  9      4.031743E+02           2.376390E-01     
 10      1.823476E+02           3.303120E-01     
 11      8.454885E+01           2.459140E-01     
 12      3.839634E+01           7.227600E-02     
 13      1.845859E+01           6.351200E-02     
 14      8.863548E+00           6.188400E-02     
 15      3.916227E+00           9.400000E-03     
 16      1.838870E+00          -2.190000E-04     
 17      8.043620E-01          -7.900000E-05     
 18      1.697970E-01          -5.000000E-06     
 19      7.930600E-02           3.000000E-06     
S   19
  1      5.045991E+06          -7.100000E-05     
  2      7.556142E+05          -2.060000E-04     
  3      1.719568E+05          -5.620000E-04     
  4      4.870479E+04          -1.442000E-03     
  5      1.588841E+04          -3.706000E-03     
  6      5.735123E+03          -9.611000E-03     
  7      2.236137E+03          -2.473600E-02     
  8      9.266468E+02          -5.990300E-02     
  9      4.031743E+02          -1.273860E-01     
 10      1.823476E+02          -2.141810E-01     
 11      8.454885E+01          -2.183240E-01     
 12      3.839634E+01           5.259800E-02     
 13      1.845859E+01           5.249320E-01     
 14      8.863548E+00           4.880070E-01     
 15      3.916227E+00           8.248400E-02     
 16      1.838870E+00          -6.795000E-03     
 17      8.043620E-01          -6.430000E-04     
 18      1.697970E-01          -4.920000E-04     
 19      7.930600E-02           3.540000E-04     
S   19
  1      5.045991E+06           1.900000E-05     
  2      7.556142E+05           5.400000E-05     
  3      1.719568E+05           1.480000E-04     
  4      4.870479E+04           3.810000E-04     
  5      1.588841E+04           9.810000E-04     
  6      5.735123E+03           2.559000E-03     
  7      2.236137E+03           6.641000E-03     
  8      9.266468E+02           1.646000E-02     
  9      4.031743E+02           3.641900E-02     
 10      1.823476E+02           6.673200E-02     
 11      8.454885E+01           7.573900E-02     
 12      3.839634E+01          -2.751000E-02     
 13      1.845859E+01          -3.190460E-01     
 14      8.863548E+00          -4.449190E-01     
 15      3.916227E+00           1.724220E-01     
 16      1.838870E+00           7.155720E-01     
 17      8.043620E-01           3.791720E-01     
 18      1.697970E-01           1.993600E-02     
 19      7.930600E-02          -7.476000E-03     
S   19
  1      5.045991E+06          -4.000000E-06     
  2      7.556142E+05          -1.100000E-05     
  3      1.719568E+05          -3.100000E-05     
  4      4.870479E+04          -8.100000E-05     
  5      1.588841E+04          -2.080000E-04     
  6      5.735123E+03          -5.430000E-04     
  7      2.236137E+03          -1.408000E-03     
  8      9.266468E+02          -3.493000E-03     
  9      4.031743E+02          -7.733000E-03     
 10      1.823476E+02          -1.422300E-02     
 11      8.454885E+01          -1.618100E-02     
 12      3.839634E+01           5.841000E-03     
 13      1.845859E+01           7.157900E-02     
 14      8.863548E+00           1.037370E-01     
 15      3.916227E+00          -4.831500E-02     
 16      1.838870E+00          -2.193040E-01     
 17      8.043620E-01          -2.208170E-01     
 18      1.697970E-01           2.869700E-01     
 19      7.930600E-02           5.599800E-01     
S   19
  1      5.045991E+06          -8.000000E-06     
  2      7.556142E+05          -2.300000E-05     
  3      1.719568E+05          -6.200000E-05     
  4      4.870479E+04          -1.630000E-04     
  5      1.588841E+04          -4.080000E-04     
  6      5.735123E+03          -1.112000E-03     
  7      2.236137E+03          -2.709000E-03     
  8      9.266468E+02          -7.309000E-03     
  9      4.031743E+02          -1.446500E-02     
 10      1.823476E+02          -3.118200E-02     
 11      8.454885E+01          -2.583500E-02     
 12      3.839634E+01          -5.347000E-03     
 13      1.845859E+01           1.860150E-01     
 14      8.863548E+00           1.546580E-01     
 15      3.916227E+00           1.149700E-02     
 16      1.838870E+00          -9.445660E-01     
 17      8.043620E-01           3.343100E-01     
 18      1.697970E-01           1.641871E+00     
 19      7.930600E-02          -7.399980E-01     
S   1
  1      3.467700E-02           1.0000000        
S   1
  1      1.516000E-02           1.0000000        
P   15
  1      2.102792E+04           1.350000E-04     
  2      4.977560E+03           5.920000E-04     
  3      1.616740E+03           2.656000E-03     
  4      6.186718E+02           1.033700E-02     
  5      2.625183E+02           3.475200E-02     
  6      1.196907E+02           9.670400E-02     
  7      5.746585E+01           2.106590E-01     
  8      2.852829E+01           3.338280E-01     
  9      1.452148E+01           3.302200E-01     
 10      7.453850E+00           1.528010E-01     
 11      3.723553E+00           2.014900E-02     
 12      1.809813E+00          -2.709000E-03     
 13      8.513360E-01          -2.110000E-03     
 14      3.234058E-01          -3.520000E-04     
 15      1.190210E-01           3.600000E-05     
P   15
  1      2.102792E+04          -4.800000E-05     
  2      4.977560E+03          -2.120000E-04     
  3      1.616740E+03          -9.520000E-04     
  4      6.186718E+02          -3.733000E-03     
  5      2.625183E+02          -1.270700E-02     
  6      1.196907E+02          -3.637100E-02     
  7      5.746585E+01          -8.228200E-02     
  8      2.852829E+01          -1.376490E-01     
  9      1.452148E+01          -1.371660E-01     
 10      7.453850E+00           4.028700E-02     
 11      3.723553E+00           3.422120E-01     
 12      1.809813E+00           4.496570E-01     
 13      8.513360E-01           2.777700E-01     
 14      3.234058E-01           4.641500E-02     
 15      1.190210E-01          -2.949000E-03     
P   15
  1      2.102792E+04           1.000000E-05     
  2      4.977560E+03           4.300000E-05     
  3      1.616740E+03           1.930000E-04     
  4      6.186718E+02           7.600000E-04     
  5      2.625183E+02           2.582000E-03     
  6      1.196907E+02           7.428000E-03     
  7      5.746585E+01           1.679800E-02     
  8      2.852829E+01           2.839500E-02     
  9      1.452148E+01           2.816200E-02     
 10      7.453850E+00          -1.114600E-02     
 11      3.723553E+00          -8.334900E-02     
 12      1.809813E+00          -1.160880E-01     
 13      8.513360E-01          -7.006000E-02     
 14      3.234058E-01           1.995030E-01     
 15      1.190210E-01           5.660100E-01     
P   15
  1      2.102792E+04           2.000000E-05     
  2      4.977560E+03           8.800000E-05     
  3      1.616740E+03           3.950000E-04     
  4      6.186718E+02           1.556000E-03     
  5      2.625183E+02           5.282000E-03     
  6      1.196907E+02           1.521300E-02     
  7      5.746585E+01           3.437300E-02     
  8      2.852829E+01           5.843400E-02     
  9      1.452148E+01           5.896900E-02     
 10      7.453850E+00          -2.293700E-02     
 11      3.723553E+00          -1.978840E-01     
 12      1.809813E+00          -2.473250E-01     
 13      8.513360E-01           9.569000E-03     
 14      3.234058E-01           5.450030E-01     
 15      1.190210E-01           5.235180E-01     
P   1
  1      4.216200E-02           1.0000000        
P   1
  1      1.494000E-02           1.0000000        
D   7
  1      1.425904E+02           3.389000E-03     
  2      4.210219E+01           2.492800E-02     
  3      1.546337E+01           9.705600E-02     
  4      6.283810E+00           2.338120E-01     
  5      2.614170E+00           3.466580E-01     
  6      1.048020E+00           3.517990E-01     
  7      3.886520E-01           2.521850E-01     
D   7
  1      1.425904E+02          -3.527000E-03     
  2      4.210219E+01          -2.594700E-02     
  3      1.546337E+01          -1.036600E-01     
  4      6.283810E+00          -2.523870E-01     
  5      2.614170E+00          -2.967270E-01     
  6      1.048020E+00          -5.790000E-04     
  7      3.886520E-01           4.403890E-01     
D   1
  1      1.246640E-01           1.0000000        
D   1
  1      3.999000E-02           1.0000000        
F   2
  1      4.345500E+00           4.174290E-01     
  2      1.068000E+00           7.714830E-01     
F   1
  1      3.772500E-01           1.0000000        


name: aug-cc-pVDZ-DK
description: V5ZPD All-electron Douglas-Kroll Valence Quintuple Zeta + Polarization
elt: Cu
data:
COPPER
S   19
  1      5.430321E+06           1.580000E-04     
  2      8.131665E+05           4.520000E-04     
  3      1.850544E+05           1.229000E-03     
  4      5.241466E+04           3.120000E-03     
  5      1.709868E+04           7.912000E-03     
  6      6.171994E+03           2.014200E-02     
  7      2.406481E+03           5.046200E-02     
  8      9.972584E+02           1.166160E-01     
  9      4.339289E+02           2.255430E-01     
 10      1.962869E+02           3.101520E-01     
 11      9.104280E+01           2.261390E-01     
 12      4.138425E+01           7.699200E-02     
 13      1.993278E+01           1.087550E-01     
 14      9.581891E+00           1.029690E-01     
 15      4.234516E+00           1.629900E-02     
 16      1.985814E+00          -5.390000E-04     
 17      8.670830E-01          -2.000000E-06     
 18      1.813390E-01          -3.800000E-05     
 19      8.365700E-02           2.600000E-05     
S   19
  1      5.430321E+06          -8.900000E-05     
  2      8.131665E+05          -2.550000E-04     
  3      1.850544E+05          -6.940000E-04     
  4      5.241466E+04          -1.766000E-03     
  5      1.709868E+04          -4.498000E-03     
  6      6.171994E+03          -1.154500E-02     
  7      2.406481E+03          -2.941800E-02     
  8      9.972584E+02          -7.051700E-02     
  9      4.339289E+02          -1.477880E-01     
 10      1.962869E+02          -2.423800E-01     
 11      9.104280E+01          -2.390600E-01     
 12      4.138425E+01           4.769300E-02     
 13      1.993278E+01           5.194670E-01     
 14      9.581891E+00           4.781070E-01     
 15      4.234516E+00           8.055800E-02     
 16      1.985814E+00          -5.628000E-03     
 17      8.670830E-01          -7.200000E-05     
 18      1.813390E-01          -4.330000E-04     
 19      8.365700E-02           3.080000E-04     
S   19
  1      5.430321E+06           2.000000E-05     
  2      8.131665E+05           5.700000E-05     
  3      1.850544E+05           1.560000E-04     
  4      5.241466E+04           3.990000E-04     
  5      1.709868E+04           1.019000E-03     
  6      6.171994E+03           2.636000E-03     
  7      2.406481E+03           6.792000E-03     
  8      9.972584E+02           1.677200E-02     
  9      4.339289E+02           3.702400E-02     
 10      1.962869E+02           6.783200E-02     
 11      9.104280E+01           7.676800E-02     
 12      4.138425E+01          -2.858800E-02     
 13      1.993278E+01          -3.262330E-01     
 14      9.581891E+00          -4.451460E-01     
 15      4.234516E+00           1.815320E-01     
 16      1.985814E+00           7.219160E-01     
 17      8.670830E-01           3.686320E-01     
 18      1.813390E-01           1.639500E-02     
 19      8.365700E-02          -5.526000E-03     
S   19
  1      5.430321E+06          -4.000000E-06     
  2      8.131665E+05          -1.200000E-05     
  3      1.850544E+05          -3.200000E-05     
  4      5.241466E+04          -8.200000E-05     
  5      1.709868E+04          -2.080000E-04     
  6      6.171994E+03          -5.390000E-04     
  7      2.406481E+03          -1.388000E-03     
  8      9.972584E+02          -3.430000E-03     
  9      4.339289E+02          -7.579000E-03     
 10      1.962869E+02          -1.393400E-02     
 11      9.104280E+01          -1.582500E-02     
 12      4.138425E+01           5.891000E-03     
 13      1.993278E+01           7.064800E-02     
 14      9.581891E+00           1.003460E-01     
 15      4.234516E+00          -4.946100E-02     
 16      1.985814E+00          -2.136180E-01     
 17      8.670830E-01          -2.122030E-01     
 18      1.813390E-01           2.812990E-01     
 19      8.365700E-02           5.560680E-01     
S   19
  1      5.430321E+06          -8.000000E-06     
  2      8.131665E+05          -2.200000E-05     
  3      1.850544E+05          -5.900000E-05     
  4      5.241466E+04          -1.520000E-04     
  5      1.709868E+04          -3.780000E-04     
  6      6.171994E+03          -1.018000E-03     
  7      2.406481E+03          -2.473000E-03     
  8      9.972584E+02          -6.614000E-03     
  9      4.339289E+02          -1.315200E-02     
 10      1.962869E+02          -2.808300E-02     
 11      9.104280E+01          -2.366100E-02     
 12      4.138425E+01          -3.658000E-03     
 13      1.993278E+01           1.674510E-01     
 14      9.581891E+00           1.378490E-01     
 15      4.234516E+00           1.695000E-03     
 16      1.985814E+00          -7.988610E-01     
 17      8.670830E-01           2.036390E-01     
 18      1.813390E-01           1.549691E+00     
 19      8.365700E-02          -4.950240E-01     
S   1
  1      3.626700E-02           1.0000000        
S   1
  1      1.572000E-02           1.0000000        
P   15
  1      2.276057E+04           1.410000E-04     
  2      5.387679E+03           6.050000E-04     
  3      1.749945E+03           2.684000E-03     
  4      6.696653E+02           1.037000E-02     
  5      2.841948E+02           3.477600E-02     
  6      1.296077E+02           9.672600E-02     
  7      6.225415E+01           2.108770E-01     
  8      3.092964E+01           3.341900E-01     
  9      1.575827E+01           3.295570E-01     
 10      8.094211E+00           1.519250E-01     
 11      4.046921E+00           2.050700E-02     
 12      1.967869E+00          -1.966000E-03     
 13      9.252950E-01          -1.631000E-03     
 14      3.510930E-01          -2.570000E-04     
 15      1.267990E-01           2.500000E-05     
P   15
  1      2.276057E+04          -5.100000E-05     
  2      5.387679E+03          -2.200000E-04     
  3      1.749945E+03          -9.770000E-04     
  4      6.696653E+02          -3.803000E-03     
  5      2.841948E+02          -1.291600E-02     
  6      1.296077E+02          -3.695200E-02     
  7      6.225415E+01          -8.370900E-02     
  8      3.092964E+01          -1.400770E-01     
  9      1.575827E+01          -1.384230E-01     
 10      8.094211E+00           4.348600E-02     
 11      4.046921E+00           3.460780E-01     
 12      1.967869E+00           4.512300E-01     
 13      9.252950E-01           2.726370E-01     
 14      3.510930E-01           4.246400E-02     
 15      1.267990E-01          -2.769000E-03     
P   15
  1      2.276057E+04           1.000000E-05     
  2      5.387679E+03           4.300000E-05     
  3      1.749945E+03           1.900000E-04     
  4      6.696653E+02           7.430000E-04     
  5      2.841948E+02           2.515000E-03     
  6      1.296077E+02           7.246000E-03     
  7      6.225415E+01           1.637500E-02     
  8      3.092964E+01           2.778100E-02     
  9      1.575827E+01           2.712000E-02     
 10      8.094211E+00          -1.122600E-02     
 11      4.046921E+00          -8.147400E-02     
 12      1.967869E+00          -1.106180E-01     
 13      9.252950E-01          -6.866900E-02     
 14      3.510930E-01           1.921350E-01     
 15      1.267990E-01           5.631450E-01     
P   15
  1      2.276057E+04           1.900000E-05     
  2      5.387679E+03           8.300000E-05     
  3      1.749945E+03           3.680000E-04     
  4      6.696653E+02           1.447000E-03     
  5      2.841948E+02           4.866000E-03     
  6      1.296077E+02           1.412100E-02     
  7      6.225415E+01           3.164000E-02     
  8      3.092964E+01           5.456700E-02     
  9      1.575827E+01           5.304500E-02     
 10      8.094211E+00          -1.994600E-02     
 11      4.046921E+00          -1.835090E-01     
 12      1.967869E+00          -2.173260E-01     
 13      9.252950E-01          -2.821700E-02     
 14      3.510930E-01           5.289300E-01     
 15      1.267990E-01           5.575620E-01     
P   1
  1      4.416200E-02           1.0000000        
P   1
  1      1.538000E-02           1.0000000        
D   7
  1      1.776850E+02           2.709000E-03     
  2      5.254040E+01           2.068500E-02     
  3      1.947690E+01           8.362600E-02     
  4      8.001460E+00           2.129230E-01     
  5      3.398920E+00           3.355660E-01     
  6      1.405380E+00           3.581080E-01     
  7      5.453300E-01           2.664410E-01     
D   7
  1      1.776850E+02          -3.377000E-03     
  2      5.254040E+01          -2.581900E-02     
  3      1.947690E+01          -1.072400E-01     
  4      8.001460E+00          -2.805410E-01     
  5      3.398920E+00          -3.487320E-01     
  6      1.405380E+00           2.160900E-02     
  7      5.453300E-01           4.916130E-01     
D   1
  1      1.881100E-01           1.0000000        
D   1
  1      6.489000E-02           1.0000000        
F   2
  1      5.028600E+00           4.242800E-01     
  2      1.259400E+00           7.630250E-01     
F   1
  1      4.516500E-01           1.0000000        


name: aug-cc-pVDZ-DK
description: V5ZPD All-electron Douglas-Kroll Valence Quintuple Zeta + Polarization
elt: Zn
data:
ZINC
S   19
  1      5.820021E+06           1.810000E-04     
  2      8.715234E+05           5.170000E-04     
  3      1.983350E+05           1.398000E-03     
  4      5.617631E+04           3.527000E-03     
  5      1.832582E+04           8.875000E-03     
  6      6.614955E+03           2.241900E-02     
  7      2.579199E+03           5.587300E-02     
  8      1.068849E+03           1.290790E-01     
  9      4.651045E+02           2.514150E-01     
 10      2.104130E+02           3.533410E-01     
 11      9.761629E+01           2.703150E-01     
 12      4.438020E+01           6.522200E-02     
 13      2.142308E+01          -1.233000E-03     
 14      1.030891E+01           1.795000E-03     
 15      4.553645E+00          -8.220000E-04     
 16      2.132821E+00           3.480000E-04     
 17      9.296970E-01          -1.310000E-04     
 18      1.921470E-01           4.400000E-05     
 19      8.759500E-02          -3.400000E-05     
S   19
  1      5.820021E+06          -5.700000E-05     
  2      8.715234E+05          -1.630000E-04     
  3      1.983350E+05          -4.420000E-04     
  4      5.617631E+04          -1.119000E-03     
  5      1.832582E+04          -2.835000E-03     
  6      6.614955E+03          -7.251000E-03     
  7      2.579199E+03          -1.853100E-02     
  8      1.068849E+03          -4.514100E-02     
  9      4.651045E+02          -9.830600E-02     
 10      2.104130E+02          -1.733870E-01     
 11      9.761629E+01          -1.868340E-01     
 12      4.438020E+01           6.522900E-02     
 13      2.142308E+01           5.320160E-01     
 14      1.030891E+01           4.835280E-01     
 15      4.553645E+00           8.157300E-02     
 16      2.132821E+00          -1.695000E-03     
 17      9.296970E-01           1.829000E-03     
 18      1.921470E-01          -3.330000E-04     
 19      8.759500E-02           2.590000E-04     
S   19
  1      5.820021E+06           2.200000E-05     
  2      8.715234E+05           6.200000E-05     
  3      1.983350E+05           1.680000E-04     
  4      5.617631E+04           4.250000E-04     
  5      1.832582E+04           1.075000E-03     
  6      6.614955E+03           2.759000E-03     
  7      2.579199E+03           7.058000E-03     
  8      1.068849E+03           1.735900E-02     
  9      4.651045E+02           3.819600E-02     
 10      2.104130E+02           6.986600E-02     
 11      9.761629E+01           7.856900E-02     
 12      4.438020E+01          -3.047700E-02     
 13      2.142308E+01          -3.364460E-01     
 14      1.030891E+01          -4.468440E-01     
 15      4.553645E+00           1.925050E-01     
 16      2.132821E+00           7.303950E-01     
 17      9.296970E-01           3.557030E-01     
 18      1.921470E-01           1.169800E-02     
 19      8.759500E-02          -5.135000E-03     
S   19
  1      5.820021E+06           4.000000E-06     
  2      8.715234E+05           1.300000E-05     
  3      1.983350E+05           3.400000E-05     
  4      5.617631E+04           8.600000E-05     
  5      1.832582E+04           2.180000E-04     
  6      6.614955E+03           5.590000E-04     
  7      2.579199E+03           1.429000E-03     
  8      1.068849E+03           3.527000E-03     
  9      4.651045E+02           7.743000E-03     
 10      2.104130E+02           1.430600E-02     
 11      9.761629E+01           1.600200E-02     
 12      4.438020E+01          -5.993000E-03     
 13      2.142308E+01          -7.373400E-02     
 14      1.030891E+01          -9.999000E-02     
 15      4.553645E+00           5.031900E-02     
 16      2.132821E+00           2.265840E-01     
 17      9.296970E-01           2.085750E-01     
 18      1.921470E-01          -3.426590E-01     
 19      8.759500E-02          -5.537360E-01     
S   19
  1      5.820021E+06          -1.200000E-05     
  2      8.715234E+05          -3.400000E-05     
  3      1.983350E+05          -9.200000E-05     
  4      5.617631E+04          -2.360000E-04     
  5      1.832582E+04          -5.790000E-04     
  6      6.614955E+03          -1.567000E-03     
  7      2.579199E+03          -3.711000E-03     
  8      1.068849E+03          -1.013700E-02     
  9      4.651045E+02          -1.944100E-02     
 10      2.104130E+02          -4.350900E-02     
 11      9.761629E+01          -3.289700E-02     
 12      4.438020E+01          -1.165400E-02     
 13      2.142308E+01           2.749530E-01     
 14      1.030891E+01           1.925200E-01     
 15      4.553645E+00          -3.356800E-02     
 16      2.132821E+00          -1.373744E+00     
 17      9.296970E-01           8.944720E-01     
 18      1.921470E-01           1.652740E+00     
 19      8.759500E-02          -1.422437E+00     
S   1
  1      3.770200E-02           1.0000000        
S   1
  1      1.623000E-02           1.0000000        
P   15
  1      2.441198E+04           1.480000E-04     
  2      5.778518E+03           6.240000E-04     
  3      1.876862E+03           2.734000E-03     
  4      7.182361E+02           1.048400E-02     
  5      3.048327E+02           3.505300E-02     
  6      1.390453E+02           9.733000E-02     
  7      6.680417E+01           2.119030E-01     
  8      3.320699E+01           3.346760E-01     
  9      1.692816E+01           3.270750E-01     
 10      8.696229E+00           1.493830E-01     
 11      4.350510E+00           2.238700E-02     
 12      2.116523E+00           1.556000E-03     
 13      9.953870E-01           4.640000E-04     
 14      3.756390E-01           6.300000E-05     
 15      1.338850E-01          -1.000000E-06     
P   15
  1      2.441198E+04          -5.600000E-05     
  2      5.778518E+03          -2.340000E-04     
  3      1.876862E+03          -1.030000E-03     
  4      7.182361E+02          -3.978000E-03     
  5      3.048327E+02          -1.347200E-02     
  6      1.390453E+02          -3.846600E-02     
  7      6.680417E+01          -8.702400E-02     
  8      3.320699E+01          -1.450960E-01     
  9      1.692816E+01          -1.409790E-01     
 10      8.696229E+00           4.872900E-02     
 11      4.350510E+00           3.525240E-01     
 12      2.116523E+00           4.523900E-01     
 13      9.953870E-01           2.638190E-01     
 14      3.756390E-01           3.756800E-02     
 15      1.338850E-01          -2.473000E-03     
P   15
  1      2.441198E+04           1.000000E-05     
  2      5.778518E+03           4.300000E-05     
  3      1.876862E+03           1.900000E-04     
  4      7.182361E+02           7.360000E-04     
  5      3.048327E+02           2.484000E-03     
  6      1.390453E+02           7.154000E-03     
  7      6.680417E+01           1.613800E-02     
  8      3.320699E+01           2.735100E-02     
  9      1.692816E+01           2.612600E-02     
 10      8.696229E+00          -1.204900E-02     
 11      4.350510E+00          -8.031200E-02     
 12      2.116523E+00          -1.062960E-01     
 13      9.953870E-01          -6.556100E-02     
 14      3.756390E-01           1.890660E-01     
 15      1.338850E-01           5.603730E-01     
P   15
  1      2.441198E+04           1.800000E-05     
  2      5.778518E+03           7.500000E-05     
  3      1.876862E+03           3.250000E-04     
  4      7.182361E+02           1.280000E-03     
  5      3.048327E+02           4.243000E-03     
  6      1.390453E+02           1.244600E-02     
  7      6.680417E+01           2.746400E-02     
  8      3.320699E+01           4.819100E-02     
  9      1.692816E+01           4.394600E-02     
 10      8.696229E+00          -1.632500E-02     
 11      4.350510E+00          -1.593140E-01     
 12      2.116523E+00          -1.756920E-01     
 13      9.953870E-01          -7.478100E-02     
 14      3.756390E-01           4.845400E-01     
 15      1.338850E-01           6.147430E-01     
P   1
  1      4.602300E-02           1.0000000        
P   1
  1      1.582000E-02           1.0000000        
D   7
  1      2.109473E+02           2.353000E-03     
  2      6.239151E+01           1.838400E-02     
  3      2.326482E+01           7.627300E-02     
  4      9.623342E+00           2.008410E-01     
  5      4.139418E+00           3.289980E-01     
  6      1.744079E+00           3.618560E-01     
  7      6.953250E-01           2.736090E-01     
D   7
  1      2.109473E+02           3.289000E-03     
  2      6.239151E+01           2.582700E-02     
  3      2.326482E+01           1.099330E-01     
  4      9.623342E+00           3.017170E-01     
  5      4.139418E+00           3.873400E-01     
  6      1.744079E+00          -5.039100E-02     
  7      6.953250E-01          -5.385100E-01     
D   1
  1      2.487240E-01           1.0000000        
D   1
  1      8.897000E-02           1.0000000        
F   2
  1      5.734400E+00           4.311320E-01     
  2      1.461500E+00           7.546420E-01     
F   1
  1      5.365400E-01           1.0000000        


name: aug-cc-pVDZ-DK
description: V5ZPD All-electron Douglas-Kroll Valence Quintuple Zeta + Polarization
elt: Ga
data:
GALLIUM
S   13
  1 485130.0000000              0.0013097        
  2  72719.0000000              0.0042304        
  3  16552.0000000              0.0135763        
  4   4687.8000000              0.0420738        
  5   1529.1000000              0.1209279        
  6    551.8100000              0.2811356        
  7    215.1800000              0.4145769        
  8     88.1740000              0.2627881        
  9     27.1540000              0.0267308        
 10     11.5030000             -0.0059120        
 11      3.3018000              0.0019289        
 12      1.3314000             -0.0008685        
 13      0.1931600              0.0002129        
S   13
  1 485130.0000000             -0.0004160        
  2  72719.0000000             -0.0013449        
  3  16552.0000000             -0.0043931        
  4   4687.8000000             -0.0136663        
  5   1529.1000000             -0.0422161        
  6    551.8100000             -0.1060421        
  7    215.1800000             -0.2173004        
  8     88.1740000             -0.1557063        
  9     27.1540000              0.5087565        
 10     11.5030000              0.6055109        
 11      3.3018000              0.0630324        
 12      1.3314000             -0.0111518        
 13      0.1931600              0.0025222        
S   13
  1 485130.0000000              0.0001593        
  2  72719.0000000              0.0005160        
  3  16552.0000000              0.0016807        
  4   4687.8000000              0.0052800        
  5   1529.1000000              0.0162205        
  6    551.8100000              0.0420676        
  7    215.1800000              0.0870166        
  8     88.1740000              0.0713209        
  9     27.1540000             -0.3166603        
 10     11.5030000             -0.5016645        
 11      3.3018000              0.6231687        
 12      1.3314000              0.6387462        
 13      0.1931600              0.0241123        
S   13
  1 485130.0000000             -0.0000373        
  2  72719.0000000             -0.0001210        
  3  16552.0000000             -0.0003938        
  4   4687.8000000             -0.0012403        
  5   1529.1000000             -0.0038013        
  6    551.8100000             -0.0099195        
  7    215.1800000             -0.0204949        
  8     88.1740000             -0.0171910        
  9     27.1540000              0.0794842        
 10     11.5030000              0.1308055        
 11      3.3018000             -0.2053080        
 12      1.3314000             -0.3400769        
 13      0.1931600              0.6684935        
S   1
  1      0.0708950              1.0000000        
S   1
  1      0.0243480              1.0000000        
P   10
  1   3248.6000000              0.0023193        
  2    769.9700000              0.0145804        
  3    248.2000000              0.0671577        
  4     93.3640000              0.2108447        
  5     38.2510000              0.4100132        
  6     16.4220000              0.3869628        
  7      6.7918000              0.1003698        
  8      2.8336000             -0.0007023        
  9      1.1062000              0.0020240        
 10      0.2225000             -0.0003111        
P   10
  1   3248.6000000             -0.0008874        
  2    769.9700000             -0.0056024        
  3    248.2000000             -0.0265035        
  4     93.3640000             -0.0863366        
  5     38.2510000             -0.1810175        
  6     16.4220000             -0.1540846        
  7      6.7918000              0.2426971        
  8      2.8336000              0.5825372        
  9      1.1062000              0.3291624        
 10      0.2225000              0.0166177        
P   10
  1   3248.6000000              0.0001465        
  2    769.9700000              0.0009118        
  3    248.2000000              0.0044053        
  4     93.3640000              0.0140793        
  5     38.2510000              0.0307873        
  6     16.4220000              0.0234476        
  7      6.7918000             -0.0438040        
  8      2.8336000             -0.1293398        
  9      1.1062000             -0.0452572        
 10      0.2225000              0.4589807        
P   1
  1      0.0617720              1.0000000        
P   1
  1      0.0151640              1.0000000        
D   5
  1     65.3370000              0.0276056        
  2     18.4970000              0.1504624        
  3      6.3150000              0.3718798        
  4      2.1635000              0.4767142        
  5      0.6667500              0.2888317        
D   1
  1      0.1884000              1.0000000        
D   1
  1      0.0537000              1.0000000        


name: aug-cc-pVDZ-DK
description: V5ZPD All-electron Douglas-Kroll Valence Quintuple Zeta + Polarization
elt: Ge
data:
GERMANIUM
S   13
  1 521800.0000000              0.0013545        
  2  78214.0000000              0.0043368        
  3  17803.0000000              0.0137737        
  4   5041.9000000              0.0422244        
  5   1644.5000000              0.1205387        
  6    593.4300000              0.2797639        
  7    231.3600000              0.4140442        
  8     94.7620000              0.2647524        
  9     29.2740000              0.0274127        
 10     12.4500000             -0.0061635        
 11      3.6463000              0.0020898        
 12      1.5025000             -0.0009682        
 13      0.2450300              0.0002513        
S   13
  1 521800.0000000             -0.0004324        
  2  78214.0000000             -0.0013859        
  3  17803.0000000             -0.0044796        
  4   5041.9000000             -0.0137917        
  5   1644.5000000             -0.0422959        
  6    593.4300000             -0.1060358        
  7    231.3600000             -0.2174391        
  8     94.7620000             -0.1574393        
  9     29.2740000              0.5053577        
 10     12.4500000              0.6069460        
 11      3.6463000              0.0661739        
 12      1.5025000             -0.0119469        
 13      0.2450300              0.0028039        
S   13
  1 521800.0000000              0.0001673        
  2  78214.0000000              0.0005371        
  3  17803.0000000              0.0017323        
  4   5041.9000000              0.0053821        
  5   1644.5000000              0.0164333        
  6    593.4300000              0.0424735        
  7    231.3600000              0.0881323        
  8     94.7620000              0.0725513        
  9     29.2740000             -0.3179483        
 10     12.4500000             -0.5102875        
 11      3.6463000              0.6035804        
 12      1.5025000              0.6585984        
 13      0.2450300              0.0275822        
S   13
  1 521800.0000000             -0.0000431        
  2  78214.0000000             -0.0001385        
  3  17803.0000000             -0.0004464        
  4   5041.9000000             -0.0013896        
  5   1644.5000000             -0.0042377        
  6    593.4300000             -0.0110050        
  7    231.3600000             -0.0228633        
  8     94.7620000             -0.0191739        
  9     29.2740000              0.0877598        
 10     12.4500000              0.1476913        
 11      3.6463000             -0.2227713        
 12      1.5025000             -0.3862311        
 13      0.2450300              0.6879566        
S   1
  1      0.0915940              1.0000000        
S   1
  1      0.0339610              1.0000000        
P   10
  1   3568.1000000              0.0022875        
  2    845.7200000              0.0141414        
  3    272.7400000              0.0650543        
  4    102.6800000              0.2054327        
  5     42.1480000              0.4048634        
  6     18.1490000              0.3917531        
  7      7.5934000              0.1076081        
  8      3.1964000              0.0000667        
  9      1.2743000              0.0020508        
 10      0.2825800             -0.0003542        
P   10
  1   3568.1000000             -0.0008882        
  2    845.7200000             -0.0055198        
  3    272.7400000             -0.0260390        
  4    102.6800000             -0.0854320        
  5     42.1480000             -0.1810507        
  6     18.1490000             -0.1615851        
  7      7.5934000              0.2271521        
  8      3.1964000              0.5824757        
  9      1.2743000              0.3400258        
 10      0.2825800              0.0185783        
P   10
  1   3568.1000000              0.0001764        
  2    845.7200000              0.0010808        
  3    272.7400000              0.0052097        
  4    102.6800000              0.0167673        
  5     42.1480000              0.0370935        
  6     18.1490000              0.0297460        
  7      7.5934000             -0.0497526        
  8      3.1964000             -0.1583429        
  9      1.2743000             -0.0576877        
 10      0.2825800              0.5113819        
P   1
  1      0.0840900              1.0000000        
P   1
  1      0.0239450              1.0000000        
D   5
  1     74.7620000              0.0260609        
  2     21.3020000              0.1449968        
  3      7.3436000              0.3683757        
  4      2.5651000              0.4817361        
  5      0.8197000              0.2811764        
D   1
  1      0.2470000              1.0000000        
D   1
  1      0.0771000              1.0000000        


name: aug-cc-pVDZ-DK
description: V5ZPD All-electron Douglas-Kroll Valence Quintuple Zeta + Polarization
elt: As
data:
ARSENIC
S   13
  1 559583.7900000              0.0014013        
  2  83879.3300000              0.0044486        
  3  19092.6680000              0.0139886        
  4   5407.3925000              0.0424243        
  5   1763.7559000              0.1202641        
  6    636.4567200              0.2785625        
  7    248.0884300              0.4134804        
  8    101.5785100              0.2664488        
  9     31.4755130              0.0280529        
 10     13.4372820             -0.0064051        
 11      4.0086900              0.0022476        
 12      1.6849290             -0.0010664        
 13      0.3000190              0.0002872        
S   13
  1 559583.7900000             -0.0004495        
  2  83879.3300000             -0.0014287        
  3  19092.6680000             -0.0045720        
  4   5407.3925000             -0.0139322        
  5   1763.7559000             -0.0424122        
  6    636.4567200             -0.1060837        
  7    248.0884300             -0.2175965        
  8    101.5785100             -0.1588867        
  9     31.4755130              0.5022517        
 10     13.4372820              0.6081134        
 11      4.0086900              0.0691645        
 12      1.6849290             -0.0126945        
 13      0.3000190              0.0030317        
S   13
  1 559583.7900000              0.0001757        
  2  83879.3300000              0.0005595        
  3  19092.6680000              0.0017870        
  4   5407.3925000              0.0054922        
  5   1763.7559000              0.0166626        
  6    636.4567200              0.0429136        
  7    248.0884300              0.0892560        
  8    101.5785100              0.0737202        
  9     31.4755130             -0.3195868        
 10     13.4372820             -0.5186628        
 11      4.0086900              0.5869002        
 12      1.6849290              0.6758274        
 13      0.3000190              0.0308451        
S   13
  1 559583.7900000             -0.0000486        
  2  83879.3300000             -0.0001548        
  3  19092.6680000             -0.0004941        
  4   5407.3925000             -0.0015206        
  5   1763.7559000             -0.0046122        
  6    636.4567200             -0.0119199        
  7    248.0884300             -0.0248770        
  8    101.5785100             -0.0208433        
  9     31.4755130              0.0946246        
 10     13.4372820              0.1624831        
 11      4.0086900             -0.2367604        
 12      1.6849290             -0.4251399        
 13      0.3000190              0.6993766        
S   1
  1      0.1135870              1.0000000        
S   1
  1      0.0411520              1.0000000        
P   10
  1   3886.3564000              0.0022777        
  2    921.2020100              0.0138538        
  3    297.1931900              0.0635719        
  4    111.9750800              0.2015077        
  5     46.0346210              0.4009896        
  6     19.8741940              0.3949007        
  7      8.3860880              0.1131266        
  8      3.5587280              0.0006550        
  9      1.4472820              0.0020826        
 10      0.3477790             -0.0003926        
P   10
  1   3886.3564000             -0.0008976        
  2    921.2020100             -0.0054919        
  3    297.1931900             -0.0258156        
  4    111.9750800             -0.0850995        
  5     46.0346210             -0.1818059        
  6     19.8741940             -0.1674091        
  7      8.3860880              0.2171216        
  8      3.5587280              0.5827524        
  9      1.4472820              0.3456714        
 10      0.3477790              0.0198946        
P   10
  1   3886.3564000              0.0002010        
  2    921.2020100              0.0012134        
  3    297.1931900              0.0058264        
  4    111.9750800              0.0188572        
  5     46.0346210              0.0420328        
  6     19.8741940              0.0349823        
  7      8.3860880             -0.0543685        
  8      3.5587280             -0.1812394        
  9      1.4472820             -0.0677251        
 10      0.3477790              0.5418627        
P   1
  1      0.1076990              1.0000000        
P   1
  1      0.0312680              1.0000000        
D   5
  1     84.4242340              0.0248871        
  2     24.1815890              0.1408433        
  3      8.4017770              0.3658120        
  4      2.9805020              0.4858423        
  5      0.9790030              0.2745897        
D   1
  1      0.3098000              1.0000000        
D   1
  1      0.1078000              1.0000000        


name: aug-cc-pVDZ-DK
description: V5ZPD All-electron Douglas-Kroll Valence Quintuple Zeta + Polarization
elt: Se
data:
SELENIUM
S   13
  1 598990.0000000              0.0014489        
  2  89783.0000000              0.0045628        
  3  20435.0000000              0.0142120        
  4   5786.9000000              0.0426588        
  5   1887.3000000              0.1200854        
  6    680.9700000              0.2775025        
  7    265.3900000              0.4128957        
  8    108.6300000              0.2679382        
  9     33.7600000              0.0286540        
 10     14.4650000             -0.0066351        
 11      4.3890000              0.0024007        
 12      1.8783000             -0.0011618        
 13      0.3585900              0.0003199        
S   13
  1 598990.0000000             -0.0004669        
  2  89783.0000000             -0.0014725        
  3  20435.0000000             -0.0046673        
  4   5786.9000000             -0.0140832        
  5   1887.3000000             -0.0425586        
  6    680.9700000             -0.1061760        
  7    265.3900000             -0.2177652        
  8    108.6300000             -0.1601056        
  9     33.7600000              0.4994239        
 10     14.4650000              0.6090549        
 11      4.3890000              0.0719867        
 12      1.8783000             -0.0133886        
 13      0.3585900              0.0032101        
S   13
  1 598990.0000000              0.0001844        
  2  89783.0000000              0.0005825        
  3  20435.0000000              0.0018435        
  4   5786.9000000              0.0056076        
  5   1887.3000000              0.0169028        
  6    680.9700000              0.0433741        
  7    265.3900000              0.0903678        
  8    108.6300000              0.0748254        
  9     33.7600000             -0.3214743        
 10     14.4650000             -0.5267116        
 11      4.3890000              0.5726054        
 12      1.8783000              0.6909332        
 13      0.3585900              0.0338020        
S   13
  1 598990.0000000             -0.0000541        
  2  89783.0000000             -0.0001708        
  3  20435.0000000             -0.0005407        
  4   5786.9000000             -0.0016456        
  5   1887.3000000             -0.0049639        
  6    680.9700000             -0.0127666        
  7    265.3900000             -0.0267464        
  8    108.6300000             -0.0223732        
  9     33.7600000              0.1009177        
 10     14.4650000              0.1765125        
 11      4.3890000             -0.2497688        
 12      1.8783000             -0.4606841        
 13      0.3585900              0.7161532        
S   1
  1      0.1364900              1.0000000        
S   1
  1      0.0487470              1.0000000        
P   10
  1   4135.6000000              0.0023379        
  2    980.3400000              0.0140264        
  3    316.3500000              0.0640616        
  4    119.2500000              0.2025832        
  5     49.0680000              0.4020159        
  6     21.2120000              0.3934710        
  7      8.9462000              0.1118237        
  8      3.8236000              0.0001976        
  9      1.5883000              0.0021938        
 10      0.4096900             -0.0004502        
P   10
  1   4135.6000000             -0.0009348        
  2    980.3400000             -0.0056415        
  3    316.3500000             -0.0264079        
  4    119.2500000             -0.0868539        
  5     49.0680000             -0.1852990        
  6     21.2120000             -0.1678373        
  7      8.9462000              0.2258849        
  8      3.8236000              0.5848647        
  9      1.5883000              0.3333638        
 10      0.4096900              0.0192013        
P   10
  1   4135.6000000              0.0002272        
  2    980.3400000              0.0013520        
  3    316.3500000              0.0064727        
  4    119.2500000              0.0208788        
  5     49.0680000              0.0466043        
  6     21.2120000              0.0377736        
  7      8.9462000             -0.0616710        
  8      3.8236000             -0.2031585        
  9      1.5883000             -0.0615782        
 10      0.4096900              0.5642068        
P   1
  1      0.1245900              1.0000000        
P   1
  1      0.0354920              1.0000000        
D   5
  1     94.4720000              0.0239210        
  2     27.1800000              0.1373683        
  3      9.5068000              0.3636145        
  4      3.4168000              0.4891696        
  5      1.1479000              0.2695446        
D   1
  1      0.3682000              1.0000000        
D   1
  1      0.1283000              1.0000000        


name: aug-cc-pVDZ-DK
description: V5ZPD All-electron Douglas-Kroll Valence Quintuple Zeta + Polarization
elt: Br
data:
BROMINE
S   13
  1 640100.0000000              0.0014975        
  2  95938.0000000              0.0046790        
  3  21833.0000000              0.0144418        
  4   6181.9000000              0.0429115        
  5   2015.7000000              0.1199662        
  6    727.1000000              0.2765685        
  7    283.2800000              0.4123452        
  8    115.9100000              0.2692454        
  9     36.1240000              0.0292014        
 10     15.5320000             -0.0068465        
 11      4.7857000              0.0025447        
 12      2.0817000             -0.0012523        
 13      0.4202800              0.0003501        
S   13
  1 640100.0000000             -0.0004847        
  2  95938.0000000             -0.0015171        
  3  21833.0000000             -0.0047650        
  4   6181.9000000             -0.0142394        
  5   2015.7000000             -0.0427230        
  6    727.1000000             -0.1063034        
  7    283.2800000             -0.2179707        
  8    115.9100000             -0.1611029        
  9     36.1240000              0.4969454        
 10     15.5320000              0.6097180        
 11      4.7857000              0.0746373        
 12      2.0817000             -0.0140451        
 13      0.4202800              0.0033594        
S   13
  1 640100.0000000              0.0001934        
  2  95938.0000000              0.0006061        
  3  21833.0000000              0.0019013        
  4   6181.9000000              0.0057252        
  5   2015.7000000              0.0171467        
  6    727.1000000              0.0438439        
  7    283.2800000              0.0914657        
  8    115.9100000              0.0758503        
  9     36.1240000             -0.3236072        
 10     15.5320000             -0.5342763        
 11      4.7857000              0.5606421        
 12      2.0817000              0.7038933        
 13      0.4202800              0.0365738        
S   13
  1 640100.0000000             -0.0000594        
  2  95938.0000000             -0.0001862        
  3  21833.0000000             -0.0005842        
  4   6181.9000000             -0.0017594        
  5   2015.7000000             -0.0052775        
  6    727.1000000             -0.0135105        
  7    283.2800000             -0.0283958        
  8    115.9100000             -0.0237009        
  9     36.1240000              0.1064098        
 10     15.5320000              0.1891007        
 11      4.7857000             -0.2610726        
 12      2.0817000             -0.4911557        
 13      0.4202800              0.7279374        
S   1
  1      0.1606900              1.0000000        
S   1
  1      0.0569460              1.0000000        
P   10
  1   4340.8000000              0.0024399        
  2   1028.9000000              0.0144672        
  3    332.0200000              0.0657058        
  4    125.1600000              0.2066720        
  5     51.5110000              0.4059657        
  6     22.2810000              0.3891806        
  7      9.3417000              0.1065845        
  8      4.0132000             -0.0008911        
  9      1.7002000              0.0023793        
 10      0.4719400             -0.0005441        
P   10
  1   4340.8000000             -0.0009895        
  2   1028.9000000             -0.0058989        
  3    332.0200000             -0.0274975        
  4    125.1600000             -0.0899166        
  5     51.5110000             -0.1904809        
  6     22.2810000             -0.1646354        
  7      9.3417000              0.2467602        
  8      4.0132000              0.5887509        
  9      1.7002000              0.3087593        
 10      0.4719400              0.0173588        
P   10
  1   4340.8000000              0.0002575        
  2   1028.9000000              0.0015143        
  3    332.0200000              0.0072174        
  4    125.1600000              0.0231679        
  5     51.5110000              0.0513547        
  6     22.2810000              0.0394026        
  7      9.3417000             -0.0732324        
  8      4.0132000             -0.2244175        
  9      1.7002000             -0.0483259        
 10      0.4719400              0.5844251        
P   1
  1      0.1442100              1.0000000        
P   1
  1      0.0410490              1.0000000        
D   5
  1    104.8300000              0.0231456        
  2     30.2720000              0.1345643        
  3     10.6490000              0.3619594        
  4      3.8696000              0.4918818        
  5      1.3239000              0.2654955        
D   1
  1      0.4098000              1.0000000        
D   1
  1      0.1719000              1.0000000        


name: aug-cc-pVDZ-DK
description: V5ZPD All-electron Douglas-Kroll Valence Quintuple Zeta + Polarization
elt: Kr
data:
KRYPTON
S   13
  1 681358.8200000              0.0015497        
  2 102126.4800000              0.0048054        
  3  23243.7100000              0.0147003        
  4   6582.0073000              0.0432409        
  5   2146.4286000              0.1199866        
  6    774.3378200              0.2757579        
  7    301.6702000              0.4117081        
  8    123.4118400              0.2703134        
  9     38.5675510              0.0297081        
 10     16.6373790             -0.0070466        
 11      5.1987950              0.0026830        
 12      2.2948140             -0.0013394        
 13      0.4852110              0.0003785        
S   13
  1 681358.8200000             -0.0005039        
  2 102126.4800000             -0.0015653        
  3  23243.7100000             -0.0048726        
  4   6582.0073000             -0.0144213        
  5   2146.4286000             -0.0429384        
  6    774.3378200             -0.1064783        
  7    301.6702000             -0.2181761        
  8    123.4118400             -0.1618461        
  9     38.5675510              0.4948090        
 10     16.6373790              0.6101302        
 11      5.1987950              0.0770857        
 12      2.2948140             -0.0146504        
 13      0.4852110              0.0034827        
S   13
  1 681358.8200000              0.0002029        
  2 102126.4800000              0.0006313        
  3  23243.7100000              0.0019633        
  4   6582.0073000              0.0058529        
  5   2146.4286000              0.0174067        
  6    774.3378200              0.0443249        
  7    301.6702000              0.0925281        
  8    123.4118400              0.0767653        
  9     38.5675510             -0.3259352        
 10     16.6373790             -0.5413562        
 11      5.1987950              0.5506909        
 12      2.2948140              0.7150109        
 13      0.4852110              0.0391776        
S   13
  1 681358.8200000             -0.0000647        
  2 102126.4800000             -0.0002014        
  3  23243.7100000             -0.0006267        
  4   6582.0073000             -0.0018679        
  5   2146.4286000             -0.0055678        
  6    774.3378200             -0.0141811        
  7    301.6702000             -0.0298753        
  8    123.4118400             -0.0248636        
  9     38.5675510              0.1113340        
 10     16.6373790              0.2005552        
 11      5.1987950             -0.2712672        
 12      2.2948140             -0.5176738        
 13      0.4852110              0.7367784        
S   1
  1      0.1862700              1.0000000        
S   1
  1      0.0651450              1.0000000        
P   10
  1   4474.2699000              0.0026041        
  2   1060.5790000              0.0152953        
  3    342.2081200              0.0689661        
  4    128.9984200              0.2146664        
  5     53.0872220              0.4132312        
  6     22.9594250              0.3806383        
  7      9.5073000              0.0967660        
  8      4.0830550             -0.0024186        
  9      1.7504460              0.0025928        
 10      0.5291900             -0.0006595        
P   10
  1   4474.2699000             -0.0010711        
  2   1060.5790000             -0.0063199        
  3    342.2081200             -0.0293225        
  4    128.9984200             -0.0947917        
  5     53.0872220             -0.1978290        
  6     22.9594250             -0.1559430        
  7      9.5073000              0.2843825        
  8      4.0830550              0.5954400        
  9      1.7504460              0.2667969        
 10      0.5291900              0.0123549        
P   10
  1   4474.2699000              0.0002927        
  2   1060.5790000              0.0017061        
  3    342.2081200              0.0080802        
  4    128.9984200              0.0257088        
  5     53.0872220              0.0560354        
  6     22.9594250              0.0387775        
  7      9.5073000             -0.0909353        
  8      4.0830550             -0.2442700        
  9      1.7504460             -0.0205985        
 10      0.5291900              0.6037619        
P   1
  1      0.1643690              1.0000000        
P   1
  1      0.0466060              1.0000000        
D   5
  1    115.5253200              0.0225046        
  2     33.4652460              0.1322817        
  3     11.8304590              0.3606094        
  4      4.3397710              0.4945214        
  5      1.5075240              0.2606169        
D   1
  1      0.5030000              1.0000000        
D   1
  1      0.2155000              1.0000000        


name: aug-cc-pVDZ-DK Diffuse
description: 1D Diffuse Functions
elt: Ti
data:
TITANIUM
S   1
  1      1.173000E-02           1.0000000        
P   1
  1      1.172000E-02           1.0000000        
D   1
  1      1.712000E-02           1.0000000        
F   1
  1      8.069000E-02           1.0000000        


name: aug-cc-pVDZ-DK Diffuse
description: 1D Diffuse Functions
elt: V
data:
VANADIUM
S   1
  1      1.232000E-02           1.0000000        
P   1
  1      1.240000E-02           1.0000000        
D   1
  1      2.240000E-02           1.0000000        
F   1
  1      1.281300E-01           1.0000000        


name: aug-cc-pVDZ-DK Diffuse
description: 1D Diffuse Functions
elt: Cr
data:
CHROMIUM
S   1
  1      1.247000E-02           1.0000000        
P   1
  1      1.307000E-02           1.0000000        
D   1
  1      2.498000E-02           1.0000000        
F   1
  1      1.724900E-01           1.0000000        


name: aug-cc-pVDZ-DK Diffuse
description: 1D Diffuse Functions
elt: Mn
data:
MANGANESE
S   1
  1      1.335000E-02           1.0000000        
P   1
  1      1.376000E-02           1.0000000        
D   1
  1      2.853000E-02           1.0000000        
F   1
  1      2.176400E-01           1.0000000        


name: aug-cc-pVDZ-DK Diffuse
description: 1D Diffuse Functions
elt: Fe
data:
IRON
S   1
  1      1.401000E-02           1.0000000        
P   1
  1      1.401000E-02           1.0000000        
D   1
  1      3.216000E-02           1.0000000        
F   1
  1      2.672300E-01           1.0000000        


name: aug-cc-pVDZ-DK Diffuse
description: 1D Diffuse Functions
elt: Co
data:
COBALT
S   1
  1      1.459000E-02           1.0000000        
P   1
  1      1.520000E-02           1.0000000        
D   1
  1      3.598000E-02           1.0000000        
F   1
  1      3.204100E-01           1.0000000        


name: aug-cc-pVDZ-DK Diffuse
description: 1D Diffuse Functions
elt: Ni
data:
NICKEL
S   1
  1      1.516000E-02           1.0000000        
P   1
  1      1.494000E-02           1.0000000        
D   1
  1      3.999000E-02           1.0000000        
F   1
  1      3.772500E-01           1.0000000        


name: aug-cc-pVDZ-DK Diffuse
description: 1D Diffuse Functions
elt: Cu
data:
COPPER
S   1
  1      1.572000E-02           1.0000000        
P   1
  1      1.538000E-02           1.0000000        
D   1
  1      6.489000E-02           1.0000000        
F   1
  1      4.516500E-01           1.0000000        


name: aug-cc-pVDZ-DK Diffuse
description: 1D Diffuse Functions
elt: Zn
data:
ZINC
S   1
  1      1.623000E-02           1.0000000        
P   1
  1      1.582000E-02           1.0000000        
D   1
  1      8.897000E-02           1.0000000        
F   1
  1      5.365400E-01           1.0000000        


name: aug-cc-pVDZ-PP
description: N/A
elt: Cu
data:
COPPER
S   7
  1    560.0880000              0.0006370        
  2     56.6486000             -0.0097350        
  3     35.4258000              0.0657930        
  4     11.0546000             -0.4150350        
  5      2.3068200              0.7466110        
  6      0.9514290              0.4621730        
  7      0.1451840              0.0159830        
S   7
  1    560.0880000             -0.0001360        
  2     56.6486000              0.0014010        
  3     35.4258000             -0.0131740        
  4     11.0546000              0.0956950        
  5      2.3068200             -0.2118740        
  6      0.9514290             -0.2359440        
  7      0.1451840              0.5081150        
S   7
  1    560.0880000             -0.0003330        
  2     56.6486000              0.0059300        
  3     35.4258000             -0.0325490        
  4     11.0546000              0.2110710        
  5      2.3068200             -0.7305560        
  6      0.9514290              0.1772420        
  7      0.1451840              1.7148730        
S   1
  1      0.0503250              1.0000000        
S   1
  1      0.0174000              1.0000000        
P   6
  1     70.9739000              0.0036820        
  2     17.8510000             -0.0821280        
  3      4.2467900              0.3753790        
  4      1.8776000              0.5084090        
  5      0.7933350              0.2390950        
  6      0.1934760              0.0158500        
P   6
  1     70.9739000             -0.0006280        
  2     17.8510000              0.0165630        
  3      4.2467900             -0.0845720        
  4      1.8776000             -0.1412830        
  5      0.7933350             -0.0035710        
  6      0.1934760              0.5190050        
P   6
  1     70.9739000             -0.0009100        
  2     17.8510000              0.0299140        
  3      4.2467900             -0.1660940        
  4      1.8776000             -0.2780000        
  5      0.7933350              0.1575840        
  6      0.1934760              0.8304880        
P   1
  1      0.0573930              1.0000000        
P   1
  1      0.0170000              1.0000000        
D   5
  1     60.3804000              0.0175640        
  2     19.1121000              0.0991340        
  3      6.9528800              0.2711710        
  4      2.6099400              0.4061800        
  5      0.9225670              0.3814270        
D   5
  1     60.3804000             -0.0222860        
  2     19.1121000             -0.1282740        
  3      6.9528800             -0.3627970        
  4      2.6099400             -0.3257220        
  5      0.9225670              0.3270870        
D   1
  1      0.2836420              1.0000000        
D   1
  1      0.0872000              1.0000000        
F   1
  1      2.7482000              1.0000000        
F   1
  1      0.9066000              1.0000000        


name: aug-cc-pVDZ-PP
description: N/A
elt: Zn
data:
ZINC
S   7
  1    629.1260000              0.0005590        
  2     62.9635000             -0.0096800        
  3     39.5791000              0.0623540        
  4     11.9173000             -0.4148790        
  5      2.5082400              0.7544660        
  6      1.0301900              0.4589960        
  7      0.1540020              0.0116640        
S   7
  1    629.1260000             -0.0001210        
  2     62.9635000              0.0014890        
  3     39.5791000             -0.0127370        
  4     11.9173000              0.0972460        
  5      2.5082400             -0.2199170        
  6      1.0301900             -0.2364740        
  7      0.1540020              0.5812910        
S   7
  1    629.1260000              0.0004210        
  2     62.9635000             -0.0051090        
  3     39.5791000              0.0414470        
  4     11.9173000             -0.3416430        
  5      2.5082400              1.4386170        
  6      1.0301900             -0.9824290        
  7      0.1540020             -1.1876310        
S   1
  1      0.0527950              1.0000000        
S   1
  1      0.0181000              1.0000000        
P   6
  1     92.9034000              0.0024880        
  2     19.7452000             -0.0791360        
  3      4.5507300              0.3880590        
  4      2.0019000              0.5093540        
  5      0.8438790              0.2245750        
  6      0.2033810              0.0126800        
P   6
  1     92.9034000             -0.0004030        
  2     19.7452000              0.0154470        
  3      4.5507300             -0.0843250        
  4      2.0019000             -0.1364890        
  5      0.8438790              0.0008020        
  6      0.2033810              0.5157920        
P   6
  1     92.9034000             -0.0005300        
  2     19.7452000              0.0247430        
  3      4.5507300             -0.1424780        
  4      2.0019000             -0.2340320        
  5      0.8438790              0.0921870        
  6      0.2033810              0.8377700        
P   1
  1      0.0595720              1.0000000        
P   1
  1      0.0174000              1.0000000        
D   5
  1     71.2766000              0.0158950        
  2     22.7604000              0.0924540        
  3      8.3236900              0.2594720        
  4      3.1687500              0.4033140        
  5      1.1470300              0.3878340        
D   5
  1     71.2766000             -0.0225160        
  2     22.7604000             -0.1333030        
  3      8.3236900             -0.3932530        
  4      3.1687500             -0.3512140        
  5      1.1470300              0.4061710        
D   1
  1      0.3666430              1.0000000        
D   1
  1      0.1172000              1.0000000        
F   1
  1      3.2168000              1.0000000        
F   1
  1      1.0870000              1.0000000        


name: aug-cc-pVDZ-PP
description: N/A
elt: Ga
data:
GALLIUM
S   6
  1   2848.2000000              0.0003620        
  2    420.6640000              0.0021170        
  3     29.8118000              0.1189640        
  4     14.2207000             -0.4617230        
  5      2.6764300              0.7515590        
  6      1.1335300              0.4472020        
S   6
  1   2848.2000000             -0.0000970        
  2    420.6640000             -0.0006140        
  3     29.8118000             -0.0310690        
  4     14.2207000              0.1267840        
  5      2.6764300             -0.2642880        
  6      1.1335300             -0.2754710        
S   1
  1      0.2072200              1.0000000        
S   1
  1      0.0732510              1.0000000        
S   1
  1      0.0222000              1.0000000        
P   6
  1    109.6240000              0.0021010        
  2     21.0855000             -0.0801960        
  3      4.9226000              0.3964150        
  4      2.1559100              0.5190760        
  5      0.9019130              0.2075200        
  6      0.2020040              0.0078250        
P   6
  1    109.6240000             -0.0002880        
  2     21.0855000              0.0135550        
  3      4.9226000             -0.0736290        
  4      2.1559100             -0.1208600        
  5      0.9019130             -0.0019600        
  6      0.2020040              0.4932060        
P   1
  1      0.0574620              1.0000000        
P   1
  1      0.0145000              1.0000000        
D   6
  1     85.7978000              0.0146680        
  2     27.6822000              0.0856210        
  3     10.1760000              0.2483360        
  4      3.9220800              0.4014140        
  5      1.4585800              0.3986040        
  6      0.4887600              0.1868980        
D   1
  1      0.1772000              1.0000000        
D   1
  1      0.0514000              1.0000000        


name: aug-cc-pVDZ-PP
description: N/A
elt: Ge
data:
GERMANIUM
S   6
  1   2611.7400000              0.0006560        
  2    390.0300000              0.0035950        
  3     34.2279000              0.1001260        
  4     15.1072000             -0.4349590        
  5      2.9277400              0.7355000        
  6      1.2715900              0.4585920        
S   6
  1   2611.7400000             -0.0002010        
  2    390.0300000             -0.0011760        
  3     34.2279000             -0.0291870        
  4     15.1072000              0.1340270        
  5      2.9277400             -0.2958060        
  6      1.2715900             -0.3087300        
S   1
  1      0.2624970              1.0000000        
S   1
  1      0.0943060              1.0000000        
S   1
  1      0.0310000              1.0000000        
P   6
  1    108.3790000              0.0026780        
  2     22.6697000             -0.0807630        
  3      5.3689700              0.3986760        
  4      2.3602500              0.5230260        
  5      1.0045800              0.1984560        
  6      0.2608400              0.0074040        
P   6
  1    108.3790000             -0.0004610        
  2     22.6697000              0.0166580        
  3      5.3689700             -0.0917910        
  4      2.3602500             -0.1485590        
  5      1.0045800              0.0003080        
  6      0.2608400              0.5385500        
P   1
  1      0.0792270              1.0000000        
P   1
  1      0.0232000              1.0000000        
D   6
  1     98.8248000              0.0130960        
  2     32.0078000              0.0811490        
  3     11.8456000              0.2432460        
  4      4.6277200              0.4014740        
  5      1.7584400              0.4024370        
  6      0.6091920              0.1785400        
D   1
  1      0.2425000              1.0000000        
D   1
  1      0.0780000              1.0000000        


name: aug-cc-pVDZ-PP
description: N/A
elt: As
data:
ARSENIC
S   6
  1   2542.8100000              0.0011370        
  2    381.1690000              0.0060550        
  3     40.2342000              0.0841250        
  4     16.1217000             -0.4052850        
  5      3.2018900              0.7129260        
  6      1.4209600              0.4733760        
S   6
  1   2542.8100000             -0.0003900        
  2    381.1690000             -0.0021900        
  3     40.2342000             -0.0268530        
  4     16.1217000              0.1368780        
  5      3.2018900             -0.3204570        
  6      1.4209600             -0.3373910        
S   1
  1      0.3214430              1.0000000        
S   1
  1      0.1167350              1.0000000        
S   1
  1      0.0370000              1.0000000        
P   6
  1     99.5349000              0.0038570        
  2     24.1195000             -0.0851010        
  3      5.8419600              0.4047620        
  4      2.5601000              0.5314780        
  5      1.0930800              0.1840120        
  6      0.3184240              0.0057640        
P   6
  1     99.5349000             -0.0007720        
  2     24.1195000              0.0199410        
  3      5.8419600             -0.1072100        
  4      2.5601000             -0.1722590        
  5      1.0930800              0.0087610        
  6      0.3184240              0.5697440        
P   1
  1      0.1009720              1.0000000        
P   1
  1      0.0308000              1.0000000        
D   6
  1    113.5090000              0.0119800        
  2     36.8872000              0.0795440        
  3     13.6893000              0.2367550        
  4      5.3896400              0.4015340        
  5      2.0804600              0.4066860        
  6      0.7375680              0.1731620        
D   1
  1      0.3078000              1.0000000        
D   1
  1      0.1000000              1.0000000        


name: aug-cc-pVDZ-PP
description: N/A
elt: Se
data:
SELENIUM
S   6
  1   2609.7204000              0.0018290        
  2    391.5228000              0.0097060        
  3     48.2893000              0.0716060        
  4     16.8019000             -0.3839800        
  5      3.5149000              0.6919260        
  6      1.5894000              0.4918930        
S   6
  1   2609.7204000             -0.0006940        
  2    391.5228000             -0.0038660        
  3     48.2893000             -0.0248390        
  4     16.8019000              0.1402070        
  5      3.5149000             -0.3422800        
  6      1.5894000             -0.3645980        
S   1
  1      0.3830000              1.0000000        
S   1
  1      0.1399000              1.0000000        
S   1
  1      0.0433000              1.0000000        
P   6
  1    100.0192000              0.0047610        
  2     25.8909000             -0.0848990        
  3      6.2093000              0.4286550        
  4      2.6613000              0.5430600        
  5      1.0929000              0.1492830        
  6      0.3597000              0.0010710        
P   6
  1    100.0192000             -0.0010580        
  2     25.8909000              0.0217090        
  3      6.2093000             -0.1262430        
  4      2.6613000             -0.1935450        
  5      1.0929000              0.0473730        
  6      0.3597000              0.5918060        
P   1
  1      0.1137000              1.0000000        
P   1
  1      0.0345000              1.0000000        
D   6
  1    128.5080000              0.0110110        
  2     41.5212000              0.0778560        
  3     15.5182000              0.2328190        
  4      6.1608200              0.4017880        
  5      2.4113400              0.4089460        
  6      0.8719360              0.1680930        
D   1
  1      0.3656000              1.0000000        
D   1
  1      0.1260000              1.0000000        


name: aug-cc-pVDZ-PP
description: N/A
elt: Ag
data:
SILVER
S   7
  1    180.0750000              0.0008490        
  2     21.8987000             -0.0654500        
  3     13.8670000              0.2977650        
  4      6.1426300             -0.7531210        
  5      1.4381400              0.8811750        
  6      0.6483820              0.4351760        
  7      0.1288820              0.0147380        
S   7
  1    180.0750000             -0.0002030        
  2     21.8987000              0.0157230        
  3     13.8670000             -0.0792290        
  4      6.1426300              0.2226340        
  5      1.4381400             -0.3491960        
  6      0.6483820             -0.2559780        
  7      0.1288820              0.5486660        
S   7
  1    180.0750000             -0.0008620        
  2     21.8987000              0.0525460        
  3     13.8670000             -0.2081000        
  4      6.1426300              0.5249720        
  5      1.4381400             -1.2701730        
  6      0.6483820              0.5393730        
  7      0.1288820              1.6533910        
S   1
  1      0.0457380              1.0000000        
S   1
  1      0.0162000              1.0000000        
P   6
  1     11.8751000              0.1162480        
  2      8.0024500             -0.3072860        
  3      2.0176600              0.5157360        
  4      0.9542300              0.5031040        
  5      0.4231180              0.1420950        
  6      0.1358850              0.0051530        
P   6
  1     11.8751000             -0.0282840        
  2      8.0024500              0.0783470        
  3      2.0176600             -0.1567410        
  4      0.9542300             -0.1886250        
  5      0.4231180              0.0635650        
  6      0.1358850              0.5817780        
P   6
  1     11.8751000             -0.0528570        
  2      8.0024500              0.1470390        
  3      2.0176600             -0.3129730        
  4      0.9542300             -0.3708280        
  5      0.4231180              0.4236290        
  6      0.1358850              0.7536550        
P   1
  1      0.0454010              1.0000000        
P   1
  1      0.0152000              1.0000000        
D   5
  1     26.4320000              0.0034790        
  2     11.0345000             -0.0138480        
  3      2.7378700              0.2545990        
  4      1.1957500              0.4498490        
  5      0.4820420              0.3757380        
D   5
  1     26.4320000             -0.0047330        
  2     11.0345000              0.0190700        
  3      2.7378700             -0.4332980        
  4      1.1957500             -0.4445680        
  5      0.4820420              0.4914420        
D   1
  1      0.1729080              1.0000000        
D   1
  1      0.0620000              1.0000000        
F   1
  1      1.3299000              1.0000000        
F   1
  1      0.4449000              1.0000000        


name: aug-cc-pVDZ-PP
description: N/A
elt: Cd
data:
CADMIUM
S   7
  1    223.8530000              0.0008710        
  2     23.0948000             -0.0643070        
  3     14.6522000              0.3013160        
  4      6.5704440             -0.7605240        
  5      1.5378300              0.8940710        
  6      0.6909840              0.4278790        
  7      0.1349130              0.0101880        
S   7
  1    223.8530000             -0.0002290        
  2     23.0948000              0.0155940        
  3     14.6522000             -0.0810470        
  4      6.5704440              0.2272510        
  5      1.5378300             -0.3625630        
  6      0.6909840             -0.2507830        
  7      0.1349130              0.6135330        
S   7
  1    223.8530000              0.0010770        
  2     23.0948000             -0.0716490        
  3     14.6522000              0.2889750        
  4      6.5704440             -0.7315460        
  5      1.5378300              1.9768990        
  6      0.6909840             -1.3519510        
  7      0.1349130             -1.1186740        
S   1
  1      0.0474420              1.0000000        
S   1
  1      0.0167000              1.0000000        
P   6
  1     13.7175000              0.0776160        
  2      8.4632200             -0.2579430        
  3      2.1182000              0.5352740        
  4      0.9892620              0.4963620        
  5      0.4317810              0.1231090        
  6      0.1391600              0.0032100        
P   6
  1     13.7175000             -0.0180110        
  2      8.4632200              0.0637170        
  3      2.1182000             -0.1587410        
  4      0.9892620             -0.1762800        
  5      0.4317810              0.0710060        
  6      0.1391600              0.5775860        
P   6
  1     13.7175000             -0.0307300        
  2      8.4632200              0.1087440        
  3      2.1182000             -0.2782310        
  4      0.9892620             -0.3293900        
  5      0.4317810              0.3546300        
  6      0.1391600              0.7814580        
P   1
  1      0.0461490              1.0000000        
P   1
  1      0.0153000              1.0000000        
D   5
  1     31.6697000              0.0031630        
  2     12.2214000             -0.0117910        
  3      3.1219900              0.2411940        
  4      1.3894100              0.4489980        
  5      0.5732030              0.3802110        
D   5
  1     31.6697000             -0.0048710        
  2     12.2214000              0.0185820        
  3      3.1219900             -0.4766730        
  4      1.3894100             -0.4576040        
  5      0.5732030              0.5714620        
D   1
  1      0.2117080              1.0000000        
D   1
  1      0.0782000              1.0000000        
F   1
  1      1.5393000              1.0000000        
F   1
  1      0.5177000              1.0000000        


name: aug-cc-pVDZ-PP
description: N/A
elt: In
data:
INDIUM
S   6
  1    265.1310000              0.0007700        
  2     25.5694000             -0.0527910        
  3     16.0041000              0.2593430        
  4      6.8188500             -0.7392890        
  5      1.6667600              0.8857730        
  6      0.7692320              0.4425920        
S   6
  1    265.1310000             -0.0002300        
  2     25.5694000              0.0140880        
  3     16.0041000             -0.0786150        
  4      6.8188500              0.2528640        
  5      1.6667600             -0.4155450        
  6      0.7692320             -0.2966470        
S   1
  1      0.1704150              1.0000000        
S   1
  1      0.0622300              1.0000000        
S   1
  1      0.0203000              1.0000000        
P   5
  1     14.4691000              0.0901770        
  2      9.2808300             -0.2676420        
  3      2.0820100              0.6644830        
  4      0.8443140              0.4616900        
  5      0.1869000              0.0270590        
P   5
  1     14.4691000             -0.0190230        
  2      9.2808300              0.0591570        
  3      2.0820100             -0.1807490        
  4      0.8443140             -0.1145820        
  5      0.1869000              0.4407390        
P   1
  1      0.0547770              1.0000000        
P   1
  1      0.0141000              1.0000000        
D   5
  1     30.7879000              0.0057660        
  2     19.2555000             -0.0107080        
  3      3.1966200              0.2938600        
  4      1.3321000              0.5108690        
  5      0.5046190              0.3415190        
D   1
  1      0.1498000              1.0000000        
D   1
  1      0.0472000              1.0000000        


name: aug-cc-pVDZ-PP
description: N/A
elt: Sn
data:
TIN
S   6
  1    380.3660000              0.0011650        
  2     28.5822000             -0.0260060        
  3     17.8892000              0.1660430        
  4      6.9286200             -0.6589140        
  5      1.7839100              0.8693360        
  6      0.8431380              0.4521320        
S   6
  1    380.3660000             -0.0004420        
  2     28.5822000              0.0057020        
  3     17.8892000             -0.0528940        
  4      6.9286200              0.2520870        
  5      1.7839100             -0.4703430        
  6      0.8431380             -0.3161440        
S   1
  1      0.2052280              1.0000000        
S   1
  1      0.0766360              1.0000000        
S   1
  1      0.0275000              1.0000000        
P   5
  1     18.5489000              0.0370210        
  2      9.5669600             -0.1938660        
  3      2.2186100              0.6575940        
  4      0.9214590              0.4555060        
  5      0.2178580              0.0272160        
P   5
  1     18.5489000             -0.0090520        
  2      9.5669600              0.0517620        
  3      2.2186100             -0.2217430        
  4      0.9214590             -0.1242790        
  5      0.2178580              0.5218530        
P   1
  1      0.0693200              1.0000000        
P   1
  1      0.0209000              1.0000000        
D   5
  1     38.5626000              0.0042610        
  2     21.7613000             -0.0068970        
  3      3.6611100              0.2762770        
  4      1.5583300              0.5143230        
  5      0.6095230              0.3445590        
D   1
  1      0.1897000              1.0000000        
D   1
  1      0.0649000              1.0000000        


name: aug-cc-pVDZ-PP
description: N/A
elt: Sb
data:
ANTIMONY
S   6
  1    371.5840000              0.0015910        
  2     26.5392000             -0.0416840        
  3     16.6213000              0.2733430        
  4      7.7355100             -0.7676850        
  5      1.8923400              0.8994960        
  6      0.9104310              0.4313870        
S   6
  1    371.5840000              0.0006540        
  2     26.5392000             -0.0109620        
  3     16.6213000              0.0938330        
  4      7.7355100             -0.3040090        
  5      1.8923400              0.5084090        
  6      0.9104310              0.3392390        
S   1
  1      0.2442310              1.0000000        
S   1
  1      0.0923970              1.0000000        
S   1
  1      0.0327000              1.0000000        
P   5
  1     16.0509000              0.0921570        
  2     10.2621000             -0.2755590        
  3      2.4283200              0.6586400        
  4      1.0336000              0.4668920        
  5      0.2594400              0.0285110        
P   5
  1     16.0509000             -0.0253130        
  2     10.2621000              0.0797960        
  3      2.4283200             -0.2420940        
  4      1.0336000             -0.1486050        
  5      0.2594400              0.5489440        
P   1
  1      0.0861080              1.0000000        
P   1
  1      0.0271000              1.0000000        
D   5
  1     45.4785000              0.0032590        
  2     18.5114000             -0.0054970        
  3      3.9160000              0.2799530        
  4      1.7148200              0.5127510        
  5      0.6973190              0.3328720        
D   1
  1      0.2304000              1.0000000        
D   1
  1      0.0802000              1.0000000        


name: aug-cc-pVDZ-PP
description: N/A
elt: Te
data:
TELLURIUM
S   6
  1   2111.1900000              0.0006120        
  2    311.6910000              0.0032070        
  3     13.8226000              0.4055120        
  4      8.7174800             -0.9325880        
  5      1.9830300              0.9196570        
  6      0.9703770              0.4046710        
S   6
  1   2111.1900000              0.0002510        
  2    311.6910000              0.0014570        
  3     13.8226000              0.1637020        
  4      8.7174800             -0.3984550        
  5      1.9830300              0.5780740        
  6      0.9703770              0.3271240        
S   1
  1      0.2797650              1.0000000        
S   1
  1      0.1067760              1.0000000        
S   1
  1      0.0369000              1.0000000        
P   5
  1     17.0629000              0.0893400        
  2     10.8306000             -0.2711680        
  3      2.5938000              0.6620230        
  4      1.1267600              0.4607440        
  5      0.3001760              0.0288090        
P   5
  1     17.0629000             -0.0268610        
  2     10.8306000              0.0863040        
  3      2.5938000             -0.2735020        
  4      1.1267600             -0.1513900        
  5      0.3001760              0.5839760        
P   1
  1      0.0975510              1.0000000        
P   1
  1      0.0299000              1.0000000        
D   5
  1     50.9106000              0.0033540        
  2     18.4647000             -0.0036420        
  3      4.2761700              0.2780800        
  4      1.8977000              0.5163480        
  5      0.7864800              0.3265710        
D   1
  1      0.2638000              1.0000000        
D   1
  1      0.0988000              1.0000000        


name: aug-cc-pVDZ-PP
description: N/A
elt: Au
data:
GOLD
S   7
  1     38.0008000              0.0200090        
  2     23.9725000             -0.1516790        
  3     15.2182000              0.3639600        
  4      5.5399900             -0.8213260        
  5      1.3855100              0.9366410        
  6      0.6424610              0.4235270        
  7      0.1564960              0.0162500        
S   7
  1     38.0008000             -0.0053040        
  2     23.9725000              0.0463180        
  3     15.2182000             -0.1199400        
  4      5.5399900              0.3040620        
  5      1.3855100             -0.4945010        
  6      0.6424610             -0.2555160        
  7      0.1564960              0.6091630        
S   7
  1     38.0008000              0.0323400        
  2     23.9725000             -0.1717620        
  3     15.2182000              0.3395030        
  4      5.5399900             -0.7461790        
  5      1.3855100              1.9174980        
  6      0.6424610             -1.1299310        
  7      0.1564960             -1.3662840        
S   1
  1      0.0549100              1.0000000        
S   1
  1      0.0193000              1.0000000        
P   6
  1     10.3092000              0.1282170        
  2      6.6276500             -0.3537900        
  3      1.6744700              0.5662110        
  4      0.8011160              0.4931710        
  5      0.3468790              0.1137750        
  6      0.1227010              0.0025340        
P   6
  1     10.3092000             -0.0358850        
  2      6.6276500              0.1028900        
  3      1.6744700             -0.2009880        
  4      0.8011160             -0.2010450        
  5      0.3468790              0.1165490        
  6      0.1227010              0.5949690        
P   6
  1     10.3092000             -0.0772420        
  2      6.6276500              0.2226110        
  3      1.6744700             -0.4953530        
  4      0.8011160             -0.3607470        
  5      0.3468790              0.7100000        
  6      0.1227010              0.5688390        
P   1
  1      0.0424280              1.0000000        
P   1
  1      0.0147000              1.0000000        
D   5
  1     11.0027000              0.0164670        
  2      6.8916600             -0.0680130        
  3      1.8080800              0.2994920        
  4      0.8210510              0.4543030        
  5      0.3441610              0.3442240        
D   5
  1     11.0027000             -0.0236280        
  2      6.8916600              0.0956720        
  3      1.8080800             -0.5412940        
  4      0.8210510             -0.3955330        
  5      0.3441610              0.6191650        
D   1
  1      0.1297430              1.0000000        
D   1
  1      0.0489000              1.0000000        
F   1
  1      0.8919000              1.0000000        
F   1
  1      0.3789000              1.0000000        


name: aug-cc-pVDZ-PP
description: N/A
elt: Hg
data:
MERCURY
S   7
  1     41.4804000              0.0100720        
  2     22.5328000             -0.1147810        
  3     14.0790000              0.3564080        
  4      5.7247400             -0.8484430        
  5      1.4794800              0.9405960        
  6      0.6882660              0.4353290        
  7      0.1641810              0.0131780        
S   7
  1     41.4804000              0.0020320        
  2     22.5328000             -0.0323140        
  3     14.0790000              0.1153500        
  4      5.7247400             -0.3177630        
  5      1.4794800              0.5135230        
  6      0.6882660              0.2500500        
  7      0.1641810             -0.6488410        
S   7
  1     41.4804000              0.0218280        
  2     22.5328000             -0.1555640        
  3     14.0790000              0.3860250        
  4      5.7247400             -0.8961040        
  5      1.4794800              2.3321950        
  6      0.6882660             -1.5976600        
  7      0.1641810             -1.0536460        
S   1
  1      0.0572230              1.0000000        
S   1
  1      0.0199000              1.0000000        
P   6
  1     10.5805000              0.1286920        
  2      6.8053900             -0.3608420        
  3      1.7901600              0.5641170        
  4      0.8622610              0.5002740        
  5      0.3752770              0.1137850        
  6      0.1284210              0.0029390        
P   6
  1     10.5805000             -0.0344430        
  2      6.8053900              0.1009290        
  3      1.7901600             -0.1924390        
  4      0.8622610             -0.1960690        
  5      0.3752770              0.1042040        
  6      0.1284210              0.5873870        
P   6
  1     10.5805000              0.0714680        
  2      6.8053900             -0.2108590        
  3      1.7901600              0.4452040        
  4      0.8622610              0.3916080        
  5      0.3752770             -0.6670830        
  6      0.1284210             -0.6195740        
P   1
  1      0.0434470              1.0000000        
P   1
  1      0.0147000              1.0000000        
D   5
  1     11.5841000              0.0167290        
  2      7.2487900             -0.0695580        
  3      1.9366200              0.3034370        
  4      0.8987480              0.4548780        
  5      0.3869310              0.3368080        
D   5
  1     11.5841000             -0.0249840        
  2      7.2487900              0.1041030        
  3      1.9366200             -0.6169860        
  4      0.8987480             -0.3538260        
  5      0.3869310              0.6872800        
D   1
  1      0.1504660              1.0000000        
D   1
  1      0.0585000              1.0000000        
F   1
  1      0.9974000              1.0000000        
F   1
  1      0.4377000              1.0000000        


name: aug-cc-pVDZ-PP
description: N/A
elt: Tl
data:
THALLIUM
S   6
  1     36.1096000              0.0229790        
  2     22.5732000             -0.1728970        
  3     14.1144000              0.4807030        
  4      6.1597600             -0.9532140        
  5      1.5706900              0.9608670        
  6      0.7459610              0.4319720        
S   6
  1     36.1096000              0.0059010        
  2     22.5732000             -0.0544410        
  3     14.1144000              0.1709120        
  4      6.1597600             -0.3868060        
  5      1.5706900              0.5717530        
  6      0.7459610              0.2895580        
S   1
  1      0.1958840              1.0000000        
S   1
  1      0.0710030              1.0000000        
S   1
  1      0.0206000              1.0000000        
P   5
  1     10.3856000              0.1621170        
  2      7.0093900             -0.4046950        
  3      1.7768800              0.6949780        
  4      0.7479420              0.4664960        
  5      0.1768080              0.0280130        
P   5
  1     10.3856000             -0.0391990        
  2      7.0093900              0.1017260        
  3      1.7768800             -0.2199420        
  4      0.7479420             -0.1194500        
  5      0.1768080              0.4597680        
P   1
  1      0.0515320              1.0000000        
P   1
  1      0.0130000              1.0000000        
D   5
  1     10.9087000              0.0217120        
  2      6.8364900             -0.0832690        
  3      1.9974900              0.3418070        
  4      0.9144720              0.4833160        
  5      0.3895180              0.3047550        
D   1
  1      0.1501000              1.0000000        
D   1
  1      0.0437000              1.0000000        


name: aug-cc-pVDZ-PP
description: N/A
elt: Pb
data:
LEAD
S   6
  1     37.4583000              0.0248240        
  2     23.3170000             -0.1810620        
  3     14.5759000              0.5007060        
  4      6.4337600             -0.9797370        
  5      1.6671900              0.9666300        
  6      0.8077320              0.4364870        
S   6
  1     37.4583000              0.0067850        
  2     23.3170000             -0.0601870        
  3     14.5759000              0.1889710        
  4      6.4337600             -0.4248380        
  5      1.6671900              0.6220350        
  6      0.8077320              0.3160880        
S   1
  1      0.2270840              1.0000000        
S   1
  1      0.0842520              1.0000000        
S   1
  1      0.0278000              1.0000000        
P   5
  1     10.6186000              0.1701740        
  2      7.1878100             -0.4241790        
  3      1.8943900              0.6934430        
  4      0.8167090              0.4737730        
  5      0.2036880              0.0290470        
P   5
  1     10.6186000             -0.0479540        
  2      7.1878100              0.1245560        
  3      1.8943900             -0.2597760        
  4      0.8167090             -0.1414800        
  5      0.2036880              0.5317690        
P   1
  1      0.0649730              1.0000000        
P   1
  1      0.0197000              1.0000000        
D   5
  1     13.7266000              0.0107870        
  2      6.9898300             -0.0666500        
  3      2.1735200              0.3342590        
  4      1.0281200              0.4826840        
  5      0.4558570              0.3004140        
D   1
  1      0.1822000              1.0000000        
D   1
  1      0.0609000              1.0000000        


name: aug-cc-pVDZ-PP
description: N/A
elt: Bi
data:
BISMUTH
S   5
  1    211.8210000              0.0010880        
  2     21.3262000             -0.1058620        
  3     13.3654000              0.5308080        
  4      6.9461000             -1.0502650        
  5      0.8391070              0.3989520        
S   5
  1    211.8210000              0.0004220        
  2     21.3262000             -0.0385370        
  3     13.3654000              0.2172380        
  4      6.9461000             -0.4810970        
  5      0.8391070              0.2905200        
S   1
  1      0.2553640              1.0000000        
S   1
  1      0.0967000              1.0000000        
S   1
  1      0.0317000              1.0000000        
P   5
  1     11.0644000              0.1672490        
  2      7.4500000             -0.4252620        
  3      2.0106900              0.6925250        
  4      0.8883210              0.4753740        
  5      0.2363690              0.0298590        
P   5
  1     11.0644000             -0.0522010        
  2      7.4500000              0.1390830        
  3      2.0106900             -0.2935560        
  4      0.8883210             -0.1585740        
  5      0.2363690              0.5743620        
P   1
  1      0.0792900              1.0000000        
P   1
  1      0.0254000              1.0000000        
D   5
  1     16.2461000              0.0078080        
  2      6.9836300             -0.0668310        
  3      2.3747600              0.3241400        
  4      1.1537200              0.4858310        
  5      0.5259740              0.3010560        
D   1
  1      0.2151000              1.0000000        
D   1
  1      0.0745000              1.0000000        


name: aug-cc-pVDZ-PP
description: N/A
elt: Po
data:
POLONIUM
S   6
  1    295.3900000              0.0013830        
  2     21.2683000             -0.1050610        
  3     13.3379000              0.5914250        
  4      7.3652100             -1.1156970        
  5      1.7892000              1.0191620        
  6      0.8849940              0.3798790        
S   6
  1    295.3900000              0.0006830        
  2     21.2683000             -0.0385730        
  3     13.3379000              0.2519580        
  4      7.3652100             -0.5330160        
  5      1.7892000              0.7669010        
  6      0.8849940              0.2818780        
S   1
  1      0.2857870              1.0000000        
S   1
  1      0.1093240              1.0000000        
S   1
  1      0.0359000              1.0000000        
P   5
  1     11.5069000              0.1663640        
  2      7.7299100             -0.4272350        
  3      2.1189400              0.6969640        
  4      0.9553230              0.4713590        
  5      0.2683520              0.0299870        
P   5
  1     11.5069000             -0.0559100        
  2      7.7299100              0.1511230        
  3      2.1189400             -0.3261600        
  4      0.9553230             -0.1614090        
  5      0.2683520              0.6016150        
P   1
  1      0.0884940              1.0000000        
P   1
  1      0.0278000              1.0000000        
D   5
  1     18.7130000              0.0066940        
  2      7.0570800             -0.0671040        
  3      2.5506200              0.3257980        
  4      1.2506900              0.4957630        
  5      0.5742560              0.2931060        
D   1
  1      0.2330000              1.0000000        
D   1
  1      0.0895000              1.0000000        


name: aug-cc-pVDZ-PP
description: aug-cc-pVDZ-PP for Hf - Pt
elt: Hf
data:
HAFNIUM
S   1
  1      0.0135000              1.0000000        
P   1
  1      0.0126000              1.0000000        
D   1
  1      0.0179000              1.0000000        
F   1
  1      0.0824000              1.0000000        


name: aug-cc-pVDZ-PP
description: aug-cc-pVDZ-PP for Hf - Pt
elt: Ta
data:
TANTALUM
S   1
  1      0.0144000              1.0000000        
P   1
  1      0.0136000              1.0000000        
D   1
  1      0.0226000              1.0000000        
F   1
  1      0.1286000              1.0000000        


name: aug-cc-pVDZ-PP
description: aug-cc-pVDZ-PP for Hf - Pt
elt: W
data:
TUNGSTEN
S   1
  1      0.0152000              1.0000000        
P   1
  1      0.0143000              1.0000000        
D   1
  1      0.0256000              1.0000000        
F   1
  1      0.1768000              1.0000000        


name: aug-cc-pVDZ-PP
description: aug-cc-pVDZ-PP for Hf - Pt
elt: Re
data:
RHENIUM
S   1
  1      0.0159000              1.0000000        
P   1
  1      0.0136000              1.0000000        
D   1
  1      0.0285000              1.0000000        
F   1
  1      0.2126000              1.0000000        


name: aug-cc-pVDZ-PP
description: aug-cc-pVDZ-PP for Hf - Pt
elt: Os
data:
OSMIUM
S   1
  1      0.0169000              1.0000000        
P   1
  1      0.0134000              1.0000000        
D   1
  1      0.0317000              1.0000000        
F   1
  1      0.2478000              1.0000000        


name: aug-cc-pVDZ-PP
description: aug-cc-pVDZ-PP for Hf - Pt
elt: Ir
data:
IRIDIUM
S   1
  1      0.0177000              1.0000000        
P   1
  1      0.0148000              1.0000000        
D   1
  1      0.0351000              1.0000000        
F   1
  1      0.2898000              1.0000000        


name: aug-cc-pVDZ-PP
description: aug-cc-pVDZ-PP for Hf - Pt
elt: Pt
data:
PLATINUM
S   1
  1      0.0185000              1.0000000        
P   1
  1      0.0139000              1.0000000        
D   1
  1      0.0389000              1.0000000        
F   1
  1      0.3357000              1.0000000        


name: aug-cc-pVDZ-PP
description: VDZPD Valence Double Zeta + Polarization on All Atoms
elt: Br
data:
BROMINE
S   6
  1   2808.6000000              0.0016060        
  2    421.1800000              0.0083930        
  3     50.3457000              0.0695780        
  4     17.9133000             -0.3899080        
  5      3.8053100              0.6944970        
  6      1.7496800              0.4913540        
S   6
  1   2808.6000000             -0.0006350        
  2    421.1800000             -0.0034920        
  3     50.3457000             -0.0251950        
  4     17.9133000              0.1501130        
  5      3.8053100             -0.3662260        
  6      1.7496800             -0.3834220        
S   1
  1      0.4485550              1.0000000        
S   1
  1      0.1644980              1.0000000        
S   1
  1      0.0502000              1.0000000        
P   6
  1    105.7520000              0.0053410        
  2     27.6368000             -0.0830840        
  3      6.5965600              0.4477660        
  4      2.7852200              0.5506170        
  5      1.0781200              0.1235000        
  6      0.3935370             -0.0037710        
P   6
  1    105.7520000             -0.0013080        
  2     27.6368000              0.0229210        
  3      6.5965600             -0.1450290        
  4      2.7852200             -0.2090370        
  5      1.0781200              0.0937300        
  6      0.3935370              0.6050210        
P   1
  1      0.1274690              1.0000000        
P   1
  1      0.0394000              1.0000000        
D   6
  1    143.8650000              0.0102370        
  2     46.1163000              0.0760830        
  3     17.3694000              0.2298070        
  4      6.9510700              0.4033470        
  5      2.7560700              0.4097280        
  6      1.0117800              0.1627900        
D   1
  1      0.4291000              1.0000000        
D   1
  1      0.1548000              1.0000000        


name: aug-cc-pVDZ-PP
description: VDZPD Valence Double Zeta + Polarization on All Atoms
elt: Kr
data:
KRYPTON
S   6
  1   2953.7500000              0.0024390        
  2    443.1400000              0.0128680        
  3     60.2268000              0.0634630        
  4     18.2113000             -0.3849140        
  5      4.2286600              0.6677030        
  6      1.9670300              0.5244550        
S   6
  1   2953.7500000             -0.0010480        
  2    443.1400000             -0.0058030        
  3     60.2268000             -0.0245890        
  4     18.2113000              0.1562020        
  5      4.2286600             -0.3742040        
  6      1.9670300             -0.4126360        
S   1
  1      0.5141110              1.0000000        
S   1
  1      0.1898500              1.0000000        
S   1
  1      0.0571000              1.0000000        
P   6
  1    111.0130000              0.0060670        
  2     29.1923000             -0.0832390        
  3      7.0812000              0.4575930        
  4      2.9808900              0.5551010        
  5      1.1049100              0.1106640        
  6      0.4287160             -0.0078940        
P   6
  1    111.0130000             -0.0016020        
  2     29.1923000              0.0243160        
  3      7.0812000             -0.1594620        
  4      2.9808900             -0.2199440        
  5      1.1049100              0.1369710        
  6      0.4287160              0.6096080        
P   1
  1      0.1428910              1.0000000        
P   1
  1      0.0443000              1.0000000        
D   6
  1    159.6040000              0.0096730        
  2     50.7517000              0.0749540        
  3     19.2789000              0.2275310        
  4      7.7583600              0.4035260        
  5      3.1064900              0.4110820        
  6      1.1555800              0.1588670        
D   1
  1      0.5000000              1.0000000        
D   1
  1      0.1836000              1.0000000        


name: aug-cc-pVDZ-PP
description: VDZPD Valence Double Zeta + Polarization on All Atoms
elt: Y
data:
YTTRIUM
S   7
  1     29.2935000              0.0066660        
  2     16.6827000             -0.0497340        
  3     10.4235000              0.1315590        
  4      3.0952600             -0.5243820        
  5      0.7079710              0.7863790        
  6      0.3225670              0.4639580        
  7      0.0690850              0.0204860        
S   7
  1     29.2935000             -0.0013580        
  2     16.6827000              0.0123920        
  3     10.4235000             -0.0375720        
  4      3.0952600              0.1741090        
  5      0.7079710             -0.3385090        
  6      0.3225670             -0.3354170        
  7      0.0690850              0.6581470        
S   7
  1     29.2935000              0.0112420        
  2     16.6827000             -0.0574010        
  3     10.4235000              0.1106480        
  4      3.0952600             -0.3769430        
  5      0.7079710              1.2026360        
  6      0.3225670             -0.4875820        
  7      0.0690850             -1.8636390        
S   1
  1      0.0274150              1.0000000        
S   1
  1      0.0109000              1.0000000        
P   6
  1      9.0271500              0.0203960        
  2      4.0242700             -0.1536620        
  3      0.9906740              0.4320820        
  4      0.4727970              0.4983480        
  5      0.2197340              0.1957420        
  6      0.0800880              0.0140830        
P   6
  1      9.0271500             -0.0056190        
  2      4.0242700              0.0465110        
  3      0.9906740             -0.1495270        
  4      0.4727970             -0.2243370        
  5      0.2197340             -0.0114700        
  6      0.0800880              0.6364970        
P   6
  1      9.0271500              0.0111310        
  2      4.0242700             -0.0963010        
  3      0.9906740              0.2986850        
  4      0.4727970              0.8892190        
  5      0.2197340             -1.4854780        
  6      0.0800880             -0.1131120        
P   1
  1      0.0306400              1.0000000        
P   1
  1      0.0117000              1.0000000        
D   5
  1      4.3045000             -0.0043910        
  2      1.3201900              0.1196820        
  3      0.5614050              0.2962740        
  4      0.2267020              0.3908730        
  5      0.0879490              0.3539610        
D   5
  1      4.3045000              0.0044330        
  2      1.3201900             -0.1499100        
  3      0.5614050             -0.3732930        
  4      0.2267020             -0.3129870        
  5      0.0879490              0.4218970        
D   1
  1      0.0323050              1.0000000        
D   1
  1      0.0119000              1.0000000        
F   1
  1      0.2028000              1.0000000        
F   1
  1      0.0484000              1.0000000        


name: aug-cc-pVDZ-PP
description: VDZPD Valence Double Zeta + Polarization on All Atoms
elt: Zr
data:
ZIRCONIUM
S   7
  1     53.4460000              0.0014860        
  2     17.0981000             -0.0365920        
  3     10.6875000              0.1321550        
  4      3.3913400             -0.5464540        
  5      0.7884750              0.8022910        
  6      0.3599820              0.4583040        
  7      0.0777920              0.0203880        
S   7
  1     53.4460000             -0.0003080        
  2     17.0981000              0.0096310        
  3     10.6875000             -0.0390430        
  4      3.3913400              0.1847170        
  5      0.7884750             -0.3584690        
  6      0.3599820             -0.3208280        
  7      0.0777920              0.6560480        
S   7
  1     53.4460000              0.0028110        
  2     17.0981000             -0.0412920        
  3     10.6875000              0.1148910        
  4      3.3913400             -0.4348090        
  5      0.7884750              1.4174320        
  6      0.3599820             -0.7286190        
  7      0.0777920             -1.6769590        
S   1
  1      0.0302340              1.0000000        
S   1
  1      0.0118000              1.0000000        
P   6
  1      9.9011600              0.0214360        
  2      4.4181900             -0.1604130        
  3      1.0931000              0.4543260        
  4      0.5187860              0.4991190        
  5      0.2363630              0.1777830        
  6      0.0847070              0.0104040        
P   6
  1      9.9011600             -0.0058310        
  2      4.4181900              0.0481520        
  3      1.0931000             -0.1600800        
  4      0.5187860             -0.2201350        
  5      0.2363630              0.0355150        
  6      0.0847070              0.6181780        
P   6
  1      9.9011600             -0.0078290        
  2      4.4181900              0.0660080        
  3      1.0931000             -0.2113740        
  4      0.5187860             -0.3575490        
  5      0.2363630              0.1703870        
  6      0.0847070              0.8518400        
P   1
  1      0.0311380              1.0000000        
P   1
  1      0.0114000              1.0000000        
D   5
  1      4.3948700             -0.0082920        
  2      1.5708900              0.1278490        
  3      0.6923540              0.3219090        
  4      0.2904140              0.3998190        
  5      0.1158780              0.3194760        
D   5
  1      4.3948700              0.0084760        
  2      1.5708900             -0.1579890        
  3      0.6923540             -0.3979000        
  4      0.2904140             -0.2555990        
  5      0.1158780              0.4914180        
D   1
  1      0.0429250              1.0000000        
D   1
  1      0.0159000              1.0000000        
F   1
  1      0.3272000              1.0000000        
F   1
  1      0.0891000              1.0000000        


name: aug-cc-pVDZ-PP
description: VDZPD Valence Double Zeta + Polarization on All Atoms
elt: Nb
data:
NIOBIUM
S   7
  1     80.8096000              0.0008890        
  2     17.9220000             -0.0347930        
  3     11.2050000              0.1389100        
  4      3.6990100             -0.5655680        
  5      0.8712090              0.8147210        
  6      0.3974440              0.4547970        
  7      0.0854690              0.0200510        
S   7
  1     80.8096000             -0.0002000        
  2     17.9220000              0.0093020        
  3     11.2050000             -0.0414910        
  4      3.6990100              0.1923710        
  5      0.8712090             -0.3713520        
  6      0.3974440             -0.3068350        
  7      0.0854690              0.6546160        
S   7
  1     80.8096000              0.0015640        
  2     17.9220000             -0.0382840        
  3     11.2050000              0.1209450        
  4      3.6990100             -0.4647790        
  5      0.8712090              1.5031600        
  6      0.3974440             -0.8262330        
  7      0.0854690             -1.5845850        
S   1
  1      0.0326640              1.0000000        
S   1
  1      0.0125000              1.0000000        
P   6
  1     10.6457000              0.0234360        
  2      4.8235100             -0.1683110        
  3      1.2030900              0.4693810        
  4      0.5695080              0.4980520        
  5      0.2569700              0.1675400        
  6      0.0929460              0.0087660        
P   6
  1     10.6457000             -0.0064960        
  2      4.8235100              0.0513810        
  3      1.2030900             -0.1706080        
  4      0.5695080             -0.2198720        
  5      0.2569700              0.0561670        
  6      0.0929460              0.6165950        
P   6
  1     10.6457000             -0.0091300        
  2      4.8235100              0.0732300        
  3      1.2030900             -0.2370360        
  4      0.5695080             -0.3685640        
  5      0.2569700              0.2364390        
  6      0.0929460              0.8267330        
P   1
  1      0.0338800              1.0000000        
P   1
  1      0.0123000              1.0000000        
D   5
  1      4.5456300             -0.0104650        
  2      1.8272300              0.1305530        
  3      0.8257640              0.3347580        
  4      0.3551560              0.4020270        
  5      0.1447240              0.3008350        
D   5
  1      4.5456300              0.0105280        
  2      1.8272300             -0.1615000        
  3      0.8257640             -0.4113720        
  4      0.3551560             -0.2117820        
  5      0.1447240              0.4861590        
D   1
  1      0.0543230              1.0000000        
D   1
  1      0.0204000              1.0000000        
F   1
  1      0.4690000              1.0000000        
F   1
  1      0.1387000              1.0000000        


name: aug-cc-pVDZ-PP
description: VDZPD Valence Double Zeta + Polarization on All Atoms
elt: Mo
data:
MOLYBDENUM
S   7
  1    106.9780000              0.0007350        
  2     18.8824000             -0.0350900        
  3     11.8077000              0.1473480        
  4      4.0211800             -0.5833630        
  5      0.9568160              0.8256350        
  6      0.4356920              0.4523110        
  7      0.0925180              0.0190550        
S   7
  1    106.9780000             -0.0001760        
  2     18.8824000              0.0093320        
  3     11.8077000             -0.0438110        
  4      4.0211800              0.1972320        
  5      0.9568160             -0.3773110        
  6      0.4356920             -0.2939670        
  7      0.0925180              0.6498330        
S   7
  1    106.9780000              0.0011660        
  2     18.8824000             -0.0376070        
  3     11.8077000              0.1259800        
  4      4.0211800             -0.4752370        
  5      0.9568160              1.4989830        
  6      0.4356920             -0.8223450        
  7      0.0925180             -1.5606240        
S   1
  1      0.0348540              1.0000000        
S   1
  1      0.0131000              1.0000000        
P   6
  1     11.4118000              0.0253450        
  2      5.2453500             -0.1752130        
  3      1.3188400              0.4812720        
  4      0.6229830              0.4972610        
  5      0.2791080              0.1595550        
  6      0.1005260              0.0075430        
P   6
  1     11.4118000             -0.0070220        
  2      5.2453500              0.0533390        
  3      1.3188400             -0.1756430        
  4      0.6229830             -0.2162130        
  5      0.2791080              0.0679580        
  6      0.1005260              0.6128160        
P   6
  1     11.4118000             -0.0104200        
  2      5.2453500              0.0798670        
  3      1.3188400             -0.2629000        
  4      0.6229830             -0.3651840        
  5      0.2791080              0.2866730        
  6      0.1005260              0.8002580        
P   1
  1      0.0362770              1.0000000        
P   1
  1      0.0131000              1.0000000        
D   5
  1      5.2576100             -0.0147610        
  2      2.1046200              0.1319820        
  3      0.9582010              0.3470860        
  4      0.4140470              0.4054710        
  5      0.1684500              0.2880580        
D   5
  1      5.2576100              0.0154390        
  2      2.1046200             -0.1606210        
  3      0.9582010             -0.4232290        
  4      0.4140470             -0.1923390        
  5      0.1684500              0.5314590        
D   1
  1      0.0623420              1.0000000        
D   1
  1      0.0231000              1.0000000        
F   1
  1      0.6007000              1.0000000        
F   1
  1      0.1850000              1.0000000        


name: aug-cc-pVDZ-PP
description: VDZPD Valence Double Zeta + Polarization on All Atoms
elt: Tc
data:
TECHNETIUM
S   7
  1    132.6560000              0.0006860        
  2     19.8986000             -0.0360010        
  3     12.4450000              0.1564650        
  4      4.3605000             -0.5995730        
  5      1.0443600              0.8357100        
  6      0.4741590              0.4490550        
  7      0.0987360              0.0183780        
S   7
  1    132.6560000             -0.0001680        
  2     19.8986000              0.0093110        
  3     12.4450000             -0.0455350        
  4      4.3605000              0.1986020        
  5      1.0443600             -0.3749740        
  6      0.4741590             -0.2817600        
  7      0.0987360              0.6329980        
S   7
  1    132.6560000              0.0009800        
  2     19.8986000             -0.0378410        
  3     12.4450000              0.1317670        
  4      4.3605000             -0.4834180        
  5      1.0443600              1.4848540        
  6      0.4741590             -0.8047310        
  7      0.0987360             -1.5511910        
S   1
  1      0.0367360              1.0000000        
S   1
  1      0.0137000              1.0000000        
P   6
  1     12.1789000              0.0273140        
  2      5.6848400             -0.1814030        
  3      1.4398300              0.4908910        
  4      0.6789090              0.4965410        
  5      0.3025150              0.1532990        
  6      0.1073070              0.0067000        
P   6
  1     12.1789000             -0.0074300        
  2      5.6848400              0.0541370        
  3      1.4398300             -0.1762270        
  4      0.6789090             -0.2096540        
  5      0.3025150              0.0734980        
  6      0.1073070              0.6070490        
P   6
  1     12.1789000             -0.0116300        
  2      5.6848400              0.0854050        
  3      1.4398300             -0.2844050        
  4      0.6789090             -0.3578760        
  5      0.3025150              0.3260330        
  6      0.1073070              0.7801240        
P   1
  1      0.0381770              1.0000000        
P   1
  1      0.0136000              1.0000000        
D   5
  1      5.7601300             -0.0164110        
  2      2.3642400              0.1344070        
  3      1.0887100              0.3547260        
  4      0.4740600              0.4044790        
  5      0.1936070              0.2788770        
D   5
  1      5.7601300              0.0169910        
  2      2.3642400             -0.1548960        
  3      1.0887100             -0.4281920        
  4      0.4740600             -0.1789920        
  5      0.1936070              0.5346560        
D   1
  1      0.0714600              1.0000000        
D   1
  1      0.0264000              1.0000000        
F   1
  1      0.7228000              1.0000000        
F   1
  1      0.2272000              1.0000000        


name: aug-cc-pVDZ-PP
description: VDZPD Valence Double Zeta + Polarization on All Atoms
elt: Ru
data:
RUTHENIUM
S   7
  1    159.3720000              0.0006730        
  2     20.9016000             -0.0371610        
  3     13.0741000              0.1665170        
  4      4.7147400             -0.6159540        
  5      1.1361200              0.8428300        
  6      0.5154640              0.4477630        
  7      0.1067670              0.0184450        
S   7
  1    159.3720000             -0.0001690        
  2     20.9016000              0.0093920        
  3     13.0741000             -0.0477130        
  4      4.7147400              0.2011130        
  5      1.1361200             -0.3734210        
  6      0.5154640             -0.2738590        
  7      0.1067670              0.6093840        
S   7
  1    159.3720000              0.0008950        
  2     20.9016000             -0.0396350        
  3     13.0741000              0.1442430        
  4      4.7147400             -0.5192870        
  5      1.1361200              1.5854040        
  6      0.5154640             -0.9082030        
  7      0.1067670             -1.4720020        
S   1
  1      0.0392180              1.0000000        
S   1
  1      0.0144000              1.0000000        
P   6
  1     12.8738000              0.0299680        
  2      6.1475000             -0.1879300        
  3      1.5652400              0.4999900        
  4      0.7361940              0.4957320        
  5      0.3263170              0.1475150        
  6      0.1124070              0.0060880        
P   6
  1     12.8738000             -0.0078010        
  2      6.1475000              0.0536560        
  3      1.5652400             -0.1719400        
  4      0.7361940             -0.1991700        
  5      0.3263170              0.0744110        
  6      0.1124070              0.5971370        
P   6
  1     12.8738000             -0.0135020        
  2      6.1475000              0.0937330        
  3      1.5652400             -0.3159100        
  4      0.7361940             -0.3618000        
  5      0.3263170              0.4008770        
  6      0.1124070              0.7537660        
P   1
  1      0.0391720              1.0000000        
P   1
  1      0.0137000              1.0000000        
D   5
  1      6.2126500             -0.0245970        
  2      2.7853900              0.1273340        
  3      1.2685100              0.3570810        
  4      0.5517900              0.4082070        
  5      0.2247310              0.2812400        
D   5
  1      6.2126500              0.0261160        
  2      2.7853900             -0.1459400        
  3      1.2685100             -0.4425210        
  4      0.5517900             -0.1690200        
  5      0.2247310              0.5052370        
D   1
  1      0.0824110              1.0000000        
D   1
  1      0.0302000              1.0000000        
F   1
  1      0.8500000              1.0000000        
F   1
  1      0.2719000              1.0000000        


name: aug-cc-pVDZ-PP
description: VDZPD Valence Double Zeta + Polarization on All Atoms
elt: Rh
data:
RHODIUM
S   7
  1    184.6660000              0.0006920        
  2     21.9974000             -0.0383930        
  3     13.7616000              0.1760190        
  4      5.0872000             -0.6299250        
  5      1.2294000              0.8495440        
  6      0.5568140              0.4457290        
  7      0.1140670              0.0182040        
S   7
  1    184.6660000             -0.0001780        
  2     21.9974000              0.0094560        
  3     13.7616000             -0.0494720        
  4      5.0872000              0.2018670        
  5      1.2294000             -0.3698090        
  6      0.5568140             -0.2653310        
  7      0.1140670              0.5891540        
S   7
  1    184.6660000              0.0008370        
  2     21.9974000             -0.0402860        
  3     13.7616000              0.1506490        
  4      5.0872000             -0.5268510        
  5      1.2294000              1.5723820        
  6      0.5568140             -0.8876430        
  7      0.1140670             -1.4709450        
S   1
  1      0.0414150              1.0000000        
S   1
  1      0.0150000              1.0000000        
P   6
  1     13.6985000              0.0318210        
  2      6.6247600             -0.1930280        
  3      1.6961300              0.5062420        
  4      0.7973510              0.4949020        
  5      0.3520340              0.1440300        
  6      0.1233420              0.0056080        
P   6
  1     13.6985000             -0.0085830        
  2      6.6247600              0.0568110        
  3      1.6961300             -0.1801720        
  4      0.7973510             -0.2034110        
  5      0.3520340              0.0848180        
  6      0.1233420              0.6010570        
P   6
  1     13.6985000             -0.0151640        
  2      6.6247600              0.1011250        
  3      1.6961300             -0.3456410        
  4      0.7973510             -0.3454850        
  5      0.3520340              0.4221020        
  6      0.1233420              0.7304790        
P   1
  1      0.0431300              1.0000000        
P   1
  1      0.0151000              1.0000000        
D   5
  1     18.7370000              0.0064810        
  2     11.7046000             -0.0139420        
  3      2.2555800              0.2506820        
  4      0.9494110              0.4511110        
  5      0.3661640              0.3839990        
D   5
  1     18.7370000             -0.0075900        
  2     11.7046000              0.0162940        
  3      2.2555800             -0.3347730        
  4      0.9494110             -0.4463960        
  5      0.3661640              0.3299670        
D   1
  1      0.1239770              1.0000000        
D   1
  1      0.0420000              1.0000000        
F   1
  1      0.9936000              1.0000000        
F   1
  1      0.3222000              1.0000000        


name: aug-cc-pVDZ-PP
description: VDZPD Valence Double Zeta + Polarization on All Atoms
elt: Pd
data:
PALLADIUM
S   7
  1    208.1230000              0.0007270        
  2     22.8525000             -0.0409280        
  3     14.2986000              0.1922850        
  4      5.4880100             -0.6501040        
  5      1.3253200              0.8565530        
  6      0.5989570              0.4438760        
  7      0.1209830              0.0178500        
S   7
  1    208.1230000             -0.0001890        
  2     22.8525000              0.0098180        
  3     14.2986000             -0.0528760        
  4      5.4880100              0.2035110        
  5      1.3253200             -0.3639350        
  6      0.5989570             -0.2582190        
  7      0.1209830              0.5704320        
S   7
  1    208.1230000              0.0008000        
  2     22.8525000             -0.0417810        
  3     14.2986000              0.1593620        
  4      5.4880100             -0.5231230        
  5      1.3253200              1.4917730        
  6      0.5989570             -0.7916960        
  7      0.1209830             -1.5172540        
S   1
  1      0.0434590              1.0000000        
S   1
  1      0.0156000              1.0000000        
P   6
  1     14.0509000              0.0379970        
  2      7.1390600             -0.2040770        
  3      1.8300700              0.5137680        
  4      0.8583350              0.4942400        
  5      0.3772750              0.1402910        
  6      0.1256960              0.0051570        
P   6
  1     14.0509000             -0.0093130        
  2      7.1390600              0.0546710        
  3      1.8300700             -0.1661610        
  4      0.8583350             -0.1858420        
  5      0.3772750              0.0731610        
  6      0.1256960              0.5861720        
P   6
  1     14.0509000             -0.0186030        
  2      7.1390600              0.1098650        
  3      1.8300700             -0.3664000        
  4      0.8583350             -0.3473160        
  5      0.3772750              0.4820340        
  6      0.1256960              0.7096400        
P   1
  1      0.0426590              1.0000000        
P   1
  1      0.0145000              1.0000000        
D   5
  1     19.2539000              0.0066240        
  2     10.5848000             -0.0184110        
  3      2.4561900              0.2633960        
  4      1.0352900              0.4524480        
  5      0.4020080              0.3758330        
D   5
  1     19.2539000             -0.0078390        
  2     10.5848000              0.0218380        
  3      2.4561900             -0.3691550        
  4      1.0352900             -0.4309590        
  5      0.4020080              0.3749650        
D   1
  1      0.1370570              1.0000000        
D   1
  1      0.0467000              1.0000000        
F   1
  1      1.1484000              1.0000000        
F   1
  1      0.3788000              1.0000000        


name: aug-cc-pVDZ-PP
description: VDZPD Valence Double Zeta + Polarization on All Atoms
elt: I
data:
IODINE
S   6
  1      2.449790E+03           4.190000E-04     
  2      3.598080E+02           2.240000E-03     
  3      1.440580E+01           3.972230E-01     
  4      9.076320E+00          -9.322490E-01     
  5      2.088100E+00           9.371380E-01     
  6      1.034980E+00           3.920860E-01     
S   6
  1      2.449790E+03           1.750000E-04     
  2      3.598080E+02           1.057000E-03     
  3      1.440580E+01           1.690000E-01     
  4      9.076320E+00          -4.217930E-01     
  5      2.088100E+00           6.388640E-01     
  6      1.034980E+00           3.201150E-01     
S   1
  1      3.162840E-01           1.0000000        
S   1
  1      1.217190E-01           1.0000000        
S   1
  1      4.200000E-02           1.0000000        
P   5
  1      1.953010E+01           5.893400E-02     
  2      1.108820E+01          -2.309300E-01     
  3      2.715630E+00           6.648010E-01     
  4      1.204300E+00           4.506730E-01     
  5      3.399450E-01           2.898000E-02     
P   5
  1      1.953010E+01          -1.883600E-02     
  2      1.108820E+01           8.000600E-02     
  3      2.715630E+00          -3.066520E-01     
  4      1.204300E+00          -1.475940E-01     
  5      3.399450E-01           6.075060E-01     
P   1
  1      1.108810E-01           1.0000000        
P   1
  1      3.380000E-02           1.0000000        
D   5
  1      4.547650E+01           4.266000E-03     
  2      1.319280E+01          -1.362500E-02     
  3      4.227410E+00           3.097560E-01     
  4      1.942800E+00           5.097720E-01     
  5      8.397710E-01           2.974610E-01     
D   1
  1      3.000000E-01           1.0000000        
D   1
  1      1.191000E-01           1.0000000        


name: aug-cc-pVDZ-PP
description: VDZPD Valence Double Zeta + Polarization on All Atoms
elt: Xe
data:
XENON
S   6
  1   2058.3200000              0.0009380        
  2    307.4270000              0.0044200        
  3     15.7815000              0.3543950        
  4      9.5447000             -0.8885140        
  5      2.2296900              0.9496240        
  6      1.1120000              0.3810660        
S   6
  1   2058.3200000             -0.0004380        
  2    307.4270000             -0.0022770        
  3     15.7815000             -0.1557960        
  4      9.5447000              0.4175780        
  5      2.2296900             -0.6793250        
  6      1.1120000             -0.3183090        
S   1
  1      0.3554300              1.0000000        
S   1
  1      0.1377260              1.0000000        
S   1
  1      0.0473000              1.0000000        
P   5
  1     20.1725000              0.0687400        
  2     11.8122000             -0.2446140        
  3      2.9346000              0.6676480        
  4      1.3189000              0.4501800        
  5      0.3858160              0.0286890        
P   5
  1     20.1725000             -0.0229670        
  2     11.8122000              0.0881150        
  3      2.9346000             -0.3233110        
  4      1.3189000             -0.1542280        
  5      0.3858160              0.6228820        
P   1
  1      0.1269610              1.0000000        
P   1
  1      0.0379000              1.0000000        
D   5
  1     52.6666000              0.0048070        
  2     14.3464000             -0.0045170        
  3      4.8159700              0.3015100        
  4      2.2149600              0.5120370        
  5      0.9611280              0.2990900        
D   1
  1      0.3412000              1.0000000        
D   1
  1      0.1404000              1.0000000        


name: aug-cc-pVDZ-PP
description: VDZPD Valence Double Zeta + Polarization on All Atoms
elt: Hf
data:
HAFNIUM
S   7
  1     29.2650000              0.0294330        
  2     18.3491000             -0.1987340        
  3     11.5257000              0.4359330        
  4      4.3859900             -0.7730970        
  5      0.8910800              0.8677580        
  6      0.4057400              0.4202920        
  7      0.0950670              0.0131930        
S   7
  1     29.2650000             -0.0090770        
  2     18.3491000              0.0611920        
  3     11.5257000             -0.1354740        
  4      4.3859900              0.2530470        
  5      0.8910800             -0.3699320        
  6      0.4057400             -0.3314430        
  7      0.0950670              0.6577990        
S   7
  1     29.2650000              0.0309420        
  2     18.3491000             -0.1631770        
  3     11.5257000              0.3100050        
  4      4.3859900             -0.5289420        
  5      0.8910800              1.2562440        
  6      0.4057400             -0.4970260        
  7      0.0950670             -1.8102840        
S   1
  1      0.0358680              1.0000000        
S   1
  1      0.0135000              1.0000000        
P   6
  1      7.1199600              0.1786130        
  2      4.6018200             -0.5085500        
  3      2.9004600              0.1812060        
  4      0.9377910              0.6364370        
  5      0.3915000              0.4348840        
  6      0.1071520              0.0442170        
P   6
  1      7.1199600             -0.0485910        
  2      4.6018200              0.1398590        
  3      2.9004600             -0.0462230        
  4      0.9377910             -0.2282940        
  5      0.3915000             -0.1575630        
  6      0.1071520              0.5288190        
P   6
  1      7.1199600             -0.0658780        
  2      4.6018200              0.1871460        
  3      2.9004600             -0.0488380        
  4      0.9377910             -0.3615180        
  5      0.3915000             -0.1743340        
  6      0.1071520              0.9190410        
P   1
  1      0.0367710              1.0000000        
P   1
  1      0.0126000              1.0000000        
D   5
  1      7.4982700              0.0144910        
  2      4.6961800             -0.0529680        
  3      1.0636000              0.2380440        
  4      0.4188210              0.4352750        
  5      0.1545660              0.4244200        
D   5
  1      7.4982700             -0.0165460        
  2      4.6961800              0.0618730        
  3      1.0636000             -0.3167410        
  4      0.4188210             -0.5274120        
  5      0.1545660              0.3428660        
D   1
  1      0.0526440              1.0000000        
D   1
  1      0.0179000              1.0000000        
F   1
  1      0.2700000              1.0000000        
F   1
  1      0.0824000              1.0000000        


name: aug-cc-pVDZ-PP
description: VDZPD Valence Double Zeta + Polarization on All Atoms
elt: Ta
data:
TANTALUM
S   7
  1     29.8670000              0.0287250        
  2     18.7203000             -0.1985810        
  3     11.7533000              0.4482880        
  4      4.5708900             -0.7983960        
  5      0.9478400              0.8861040        
  6      0.4340380              0.4136940        
  7      0.1050310              0.0121460        
S   7
  1     29.8670000             -0.0091320        
  2     18.7203000              0.0630170        
  3     11.7533000             -0.1437480        
  4      4.5708900              0.2705360        
  5      0.9478400             -0.4015970        
  6      0.4340380             -0.3195670        
  7      0.1050310              0.6651050        
S   7
  1     29.8670000              0.0324720        
  2     18.7203000             -0.1723550        
  3     11.7533000              0.3341840        
  4      4.5708900             -0.5725580        
  5      0.9478400              1.3652610        
  6      0.4340380             -0.6032250        
  7      0.1050310             -1.7315730        
S   1
  1      0.0389480              1.0000000        
S   1
  1      0.0144000              1.0000000        
P   6
  1      7.3652400              0.1796820        
  2      4.7544000             -0.5211000        
  3      2.9959500              0.1911040        
  4      0.9941230              0.6464550        
  5      0.4196000              0.4240400        
  6      0.1182390              0.0425600        
P   6
  1      7.3652400             -0.0508780        
  2      4.7544000              0.1495500        
  3      2.9959500             -0.0507540        
  4      0.9941230             -0.2483790        
  5      0.4196000             -0.1478010        
  6      0.1182390              0.5415390        
P   6
  1      7.3652400             -0.0697670        
  2      4.7544000              0.2016550        
  3      2.9959500             -0.0482900        
  4      0.9941230             -0.4247200        
  5      0.4196000             -0.1275720        
  6      0.1182390              0.9415430        
P   1
  1      0.0401010              1.0000000        
P   1
  1      0.0136000              1.0000000        
D   5
  1      7.5616000              0.0178690        
  2      4.7408700             -0.0661360        
  3      1.1697500              0.2554580        
  4      0.4793100              0.4454920        
  5      0.1837040              0.4029670        
D   5
  1      7.5616000             -0.0205840        
  2      4.7408700              0.0780240        
  3      1.1697500             -0.3544000        
  4      0.4793100             -0.5155940        
  5      0.1837040              0.4207610        
D   1
  1      0.0644090              1.0000000        
D   1
  1      0.0226000              1.0000000        
F   1
  1      0.3735000              1.0000000        
F   1
  1      0.1286000              1.0000000        


name: aug-cc-pVDZ-PP
description: VDZPD Valence Double Zeta + Polarization on All Atoms
elt: W
data:
TUNGSTEN
S   7
  1     31.1844000              0.0268990        
  2     19.5385000             -0.1892380        
  3     12.2602000              0.4339650        
  4      4.7203700             -0.8043720        
  5      1.0095700              0.9015400        
  6      0.4634560              0.4101950        
  7      0.1137920              0.0110440        
S   7
  1     31.1844000             -0.0086330        
  2     19.5385000              0.0609770        
  3     12.2602000             -0.1418640        
  4      4.7203700              0.2797320        
  5      1.0095700             -0.4285050        
  6      0.4634560             -0.3050150        
  7      0.1137920              0.6713040        
S   7
  1     31.1844000              0.0314780        
  2     19.5385000             -0.1676990        
  3     12.2602000              0.3282920        
  4      4.7203700             -0.5865250        
  5      1.0095700              1.4154490        
  6      0.4634560             -0.6488270        
  7      0.1137920             -1.6892530        
S   1
  1      0.0416420              1.0000000        
S   1
  1      0.0152000              1.0000000        
P   6
  1      7.7873800              0.1852090        
  2      5.0493000             -0.5283120        
  3      3.1860200              0.1871580        
  4      1.0593700              0.6560130        
  5      0.4491060              0.4179250        
  6      0.1276250              0.0409650        
P   6
  1      7.7873800             -0.0535080        
  2      5.0493000              0.1546790        
  3      3.1860200             -0.0504270        
  4      1.0593700             -0.2604500        
  5      0.4491060             -0.1384050        
  6      0.1276250              0.5459010        
P   6
  1      7.7873800             -0.0749390        
  2      5.0493000              0.2120220        
  3      3.1860200             -0.0424460        
  4      1.0593700             -0.4793750        
  5      0.4491060             -0.0766750        
  6      0.1276250              0.9477960        
P   1
  1      0.0427440              1.0000000        
P   1
  1      0.0143000              1.0000000        
D   5
  1      8.3098300              0.0219490        
  2      5.2246300             -0.0773760        
  3      1.2952900              0.2632410        
  4      0.5397610              0.4595460        
  5      0.2089270              0.3922120        
D   5
  1      8.3098300             -0.0263810        
  2      5.2246300              0.0952520        
  3      1.2952900             -0.3960520        
  4      0.5397610             -0.5079960        
  5      0.2089270              0.5236000        
D   1
  1      0.0731130              1.0000000        
D   1
  1      0.0256000              1.0000000        
F   1
  1      0.4769000              1.0000000        
F   1
  1      0.1768000              1.0000000        


name: aug-cc-pVDZ-PP
description: VDZPD Valence Double Zeta + Polarization on All Atoms
elt: Re
data:
RHENIUM
S   7
  1     33.0133000              0.0221330        
  2     20.6658000             -0.1618310        
  3     12.9498000              0.3812300        
  4      4.7782300             -0.7875220        
  5      1.0858000              0.8980810        
  6      0.5000250              0.4224690        
  7      0.1210690              0.0172060        
S   7
  1     33.0133000             -0.0070680        
  2     20.6658000              0.0530520        
  3     12.9498000             -0.1282310        
  4      4.7782300              0.2853960        
  5      1.0858000             -0.4487810        
  6      0.5000250             -0.2976680        
  7      0.1210690              0.6634730        
S   7
  1     33.0133000              0.0274240        
  2     20.6658000             -0.1468310        
  3     12.9498000              0.2908580        
  4      4.7782300             -0.5801000        
  5      1.0858000              1.4204980        
  6      0.5000250             -0.6321790        
  7      0.1210690             -1.6875030        
S   1
  1      0.0438810              1.0000000        
S   1
  1      0.0159000              1.0000000        
P   6
  1      8.6759800              0.1394900        
  2      5.6538200             -0.3569770        
  3      1.4063900              0.4818040        
  4      0.6920560              0.5117960        
  5      0.3163520              0.1708180        
  6      0.1093090              0.0097820        
P   6
  1      8.6759800             -0.0412390        
  2      5.6538200              0.1083450        
  3      1.4063900             -0.1688840        
  4      0.6920560             -0.2386860        
  5      0.3163520              0.0632430        
  6      0.1093090              0.6102210        
P   6
  1      8.6759800             -0.0651350        
  2      5.6538200              0.1725300        
  3      1.4063900             -0.2649320        
  4      0.6920560             -0.4743410        
  5      0.3163520              0.3991830        
  6      0.1093090              0.8030920        
P   1
  1      0.0385810              1.0000000        
P   1
  1      0.0136000              1.0000000        
D   5
  1      8.6719700              0.0171910        
  2      5.4414200             -0.0665390        
  3      1.3750800              0.2711570        
  4      0.5838300              0.4487710        
  5      0.2293620              0.3778590        
D   5
  1      8.6719700             -0.0203340        
  2      5.4414200              0.0775390        
  3      1.3750800             -0.3686920        
  4      0.5838300             -0.4745880        
  5      0.2293620              0.4599950        
D   1
  1      0.0808850              1.0000000        
D   1
  1      0.0285000              1.0000000        
F   1
  1      0.5533000              1.0000000        
F   1
  1      0.2126000              1.0000000        


name: aug-cc-pVDZ-PP
description: VDZPD Valence Double Zeta + Polarization on All Atoms
elt: Os
data:
OSMIUM
S   7
  1     34.5933000              0.0194050        
  2     21.6442000             -0.1468750        
  3     13.5521000              0.3551890        
  4      4.8950800             -0.7883690        
  5      1.1634600              0.9033000        
  6      0.5380840              0.4302560        
  7      0.1306730              0.0181640        
S   7
  1     34.5933000             -0.0059240        
  2     21.6442000              0.0475810        
  3     13.5521000             -0.1198590        
  4      4.8950800              0.2905900        
  5      1.1634600             -0.4633260        
  6      0.5380840             -0.2910580        
  7      0.1306730              0.6489970        
S   7
  1     34.5933000              0.0286790        
  2     21.6442000             -0.1533520        
  3     13.5521000              0.3066570        
  4      4.8950800             -0.6590400        
  5      1.1634600              1.6880660        
  6      0.5380840             -0.9098660        
  7      0.1306730             -1.5178370        
S   1
  1      0.0469820              1.0000000        
S   1
  1      0.0169000              1.0000000        
P   6
  1      9.1259400              0.1316100        
  2      5.8907300             -0.3487910        
  3      1.4397800              0.5276330        
  4      0.6929760              0.5000040        
  5      0.3084380              0.1387070        
  6      0.1086800              0.0055910        
P   6
  1      9.1259400             -0.0379630        
  2      5.8907300              0.1036120        
  3      1.4397800             -0.1857190        
  4      0.6929760             -0.2213770        
  5      0.3084380              0.0960590        
  6      0.1086800              0.6029380        
P   6
  1      9.1259400             -0.0676070        
  2      5.8907300              0.1858450        
  3      1.4397800             -0.3480470        
  4      0.6929760             -0.4511480        
  5      0.3084380              0.5586130        
  6      0.1086800              0.7068530        
P   1
  1      0.0381830              1.0000000        
P   1
  1      0.0134000              1.0000000        
D   5
  1      9.3395000              0.0158420        
  2      5.8557100             -0.0635100        
  3      1.4647600              0.2828700        
  4      0.6312200              0.4507810        
  5      0.2506620              0.3664550        
D   5
  1      9.3395000             -0.0209240        
  2      5.8557100              0.0807150        
  3      1.4647600             -0.4242800        
  4      0.6312200             -0.4620180        
  5      0.2506620              0.5555660        
D   1
  1      0.0891640              1.0000000        
D   1
  1      0.0317000              1.0000000        
F   1
  1      0.6278000              1.0000000        
F   1
  1      0.2478000              1.0000000        


name: aug-cc-pVDZ-PP
description: VDZPD Valence Double Zeta + Polarization on All Atoms
elt: Ir
data:
IRIDIUM
S   7
  1     36.0577000              0.0172890        
  2     22.5516000             -0.1359910        
  3     14.1116000              0.3386690        
  4      5.0447500             -0.7941690        
  5      1.2441700              0.9080010        
  6      0.5769240              0.4378070        
  7      0.1394660              0.0187690        
S   7
  1     36.0577000             -0.0049480        
  2     22.5516000              0.0431240        
  3     14.1116000             -0.1138030        
  4      5.0447500              0.2953180        
  5      1.2441700             -0.4732180        
  6      0.5769240             -0.2840000        
  7      0.1394660              0.6351880        
S   7
  1     36.0577000              0.0290550        
  2     22.5516000             -0.1546790        
  3     14.1116000              0.3116730        
  4      5.0447500             -0.7039290        
  5      1.2441700              1.8161160        
  6      0.5769240             -1.0291110        
  7      0.1394660             -1.4393180        
S   1
  1      0.0497400              1.0000000        
S   1
  1      0.0177000              1.0000000        
P   6
  1      9.5858000              0.1256510        
  2      6.1408800             -0.3433060        
  3      1.4976000              0.5536780        
  4      0.7141440              0.4910420        
  5      0.3120660              0.1228370        
  6      0.1151600              0.0033780        
P   6
  1      9.5858000             -0.0379390        
  2      6.1408800              0.1069870        
  3      1.4976000             -0.2083670        
  4      0.7141440             -0.2217720        
  5      0.3120660              0.1266520        
  6      0.1151600              0.6103680        
P   6
  1      9.5858000             -0.0740030        
  2      6.1408800              0.2101790        
  3      1.4976000             -0.4612670        
  4      0.7141440             -0.3768670        
  5      0.3120660              0.6521120        
  6      0.1151600              0.6073860        
P   1
  1      0.0412770              1.0000000        
P   1
  1      0.0148000              1.0000000        
D   5
  1      9.9606900              0.0154630        
  2      6.2430300             -0.0631200        
  3      1.5631700              0.2923090        
  4      0.6819400              0.4527480        
  5      0.2734460              0.3571590        
D   5
  1      9.9606900             -0.0198010        
  2      6.2430300              0.0777020        
  3      1.5631700             -0.4252400        
  4      0.6819400             -0.4331870        
  5      0.2734460              0.4752470        
D   1
  1      0.0980080              1.0000000        
D   1
  1      0.0351000              1.0000000        
F   1
  1      0.7127000              1.0000000        
F   1
  1      0.2898000              1.0000000        


name: aug-cc-pVDZ-PP
description: VDZPD Valence Double Zeta + Polarization on All Atoms
elt: Pt
data:
PLATINUM
S   7
  1     37.3750000              0.0156980        
  2     23.3685000             -0.1285150        
  3     14.6164000              0.3299960        
  4      5.2209620             -0.8039770        
  5      1.3267320              0.9127650        
  6      0.6163210              0.4444260        
  7      0.1480680              0.0192250        
S   7
  1     37.3750000             -0.0041400        
  2     23.3685000              0.0396870        
  3     14.6164000             -0.1100630        
  4      5.2209620              0.3003960        
  5      1.3267320             -0.4809750        
  6      0.6163210             -0.2769970        
  7      0.1480680              0.6216130        
S   7
  1     37.3750000              0.0303040        
  2     23.3685000             -0.1595530        
  3     14.6164000              0.3222870        
  4      5.2209620             -0.7469090        
  5      1.3267320              1.9183060        
  6      0.6163210             -1.1164460        
  7      0.1480680             -1.3836520        
S   1
  1      0.0523910              1.0000000        
S   1
  1      0.0185000              1.0000000        
P   6
  1      9.9926800              0.1240460        
  2      6.3831700             -0.3446320        
  3      1.5696500              0.5711200        
  4      0.7427790              0.4873560        
  5      0.3180200              0.1119590        
  6      0.1141460              0.0019280        
P   6
  1      9.9926800             -0.0346870        
  2      6.3831700              0.0999320        
  3      1.5696500             -0.2018840        
  4      0.7427790             -0.1984590        
  5      0.3180200              0.1230340        
  6      0.1141460              0.5955770        
P   6
  1      9.9926800             -0.0771530        
  2      6.3831700              0.2234940        
  3      1.5696500             -0.5228040        
  4      0.7427790             -0.3298980        
  5      0.3180200              0.7297730        
  6      0.1141460              0.5372880        
P   1
  1      0.0398630              1.0000000        
P   1
  1      0.0139000              1.0000000        
D   5
  1     10.4126000              0.0150800        
  2      6.5226600             -0.0622950        
  3      1.6643000              0.3006490        
  4      0.7342080              0.4539610        
  5      0.2974070              0.3490010        
D   5
  1     10.4126000             -0.0198660        
  2      6.5226600              0.0796630        
  3      1.6643000             -0.4687940        
  4      0.7342080             -0.4051740        
  5      0.2974070              0.5192890        
D   1
  1      0.1075990              1.0000000        
D   1
  1      0.0389000              1.0000000        
F   1
  1      0.8018000              1.0000000        
F   1
  1      0.3357000              1.0000000        


name: aug-cc-pVDZ-PP
description: VDZPD Valence Double Zeta + Polarization on All Atoms
elt: Bi
data:
BISMUTH
S   6
  1    211.8210000              0.0010880        
  2     21.3262000             -0.1058620        
  3     13.3654000              0.5308080        
  4      6.9461000             -1.0502650        
  5      1.7122900              0.9958560        
  6      0.8391070              0.3989520        
S   6
  1    211.8210000              0.0004220        
  2     21.3262000             -0.0385370        
  3     13.3654000              0.2172380        
  4      6.9461000             -0.4810970        
  5      1.7122900              0.7015950        
  6      0.8391070              0.2905200        
S   1
  1      0.2553640              1.0000000        
S   1
  1      0.0967000              1.0000000        
S   1
  1      0.0317000              1.0000000        
P   5
  1     11.0644000              0.1672490        
  2      7.4500000             -0.4252620        
  3      2.0106900              0.6925250        
  4      0.8883210              0.4753740        
  5      0.2363690              0.0298590        
P   5
  1     11.0644000             -0.0522010        
  2      7.4500000              0.1390830        
  3      2.0106900             -0.2935560        
  4      0.8883210             -0.1585740        
  5      0.2363690              0.5743620        
P   1
  1      0.0792900              1.0000000        
P   1
  1      0.0254000              1.0000000        
D   5
  1     16.2461000              0.0078080        
  2      6.9836300             -0.0668310        
  3      2.3747600              0.3241400        
  4      1.1537200              0.4858310        
  5      0.5259740              0.3010560        
D   1
  1      0.2151000              1.0000000        
D   1
  1      0.0745000              1.0000000        


name: aug-cc-pVDZ-PP
description: VDZPD Valence Double Zeta + Polarization on All Atoms
elt: Po
data:
POLONIUM
S   6
  1    295.3900000              0.0013830        
  2     21.2683000             -0.1050610        
  3     13.3379000              0.5914250        
  4      7.3652100             -1.1156970        
  5      1.7892000              1.0191620        
  6      0.8849940              0.3798790        
S   6
  1    295.3900000              0.0006830        
  2     21.2683000             -0.0385730        
  3     13.3379000              0.2519580        
  4      7.3652100             -0.5330160        
  5      1.7892000              0.7669010        
  6      0.8849940              0.2818780        
S   1
  1      0.2857870              1.0000000        
S   1
  1      0.1093240              1.0000000        
S   1
  1      0.0359000              1.0000000        
P   5
  1     11.5069000              0.1663640        
  2      7.7299100             -0.4272350        
  3      2.1189400              0.6969640        
  4      0.9553230              0.4713590        
  5      0.2683520              0.0299870        
P   5
  1     11.5069000             -0.0559100        
  2      7.7299100              0.1511230        
  3      2.1189400             -0.3261600        
  4      0.9553230             -0.1614090        
  5      0.2683520              0.6016150        
P   1
  1      0.0884940              1.0000000        
P   1
  1      0.0278000              1.0000000        
D   5
  1     18.7130000              0.0066940        
  2      7.0570800             -0.0671040        
  3      2.5506200              0.3257980        
  4      1.2506900              0.4957630        
  5      0.5742560              0.2931060        
D   1
  1      0.2330000              1.0000000        
D   1
  1      0.0895000              1.0000000        


name: aug-cc-pVDZ-PP
description: VDZPD Valence Double Zeta + Polarization on All Atoms
elt: At
data:
ASTATINE
S   6
  1    304.0310000              0.0010310        
  2     22.4085000             -0.1018690        
  3     14.0490000              0.5632730        
  4      7.5895000             -1.1045120        
  5      1.8949400              1.0263640        
  6      0.9523580              0.3833240        
S   6
  1    304.0310000              0.0004960        
  2     22.4085000             -0.0387430        
  3     14.0490000              0.2490070        
  4      7.5895000             -0.5516910        
  5      1.8949400              0.8155580        
  6      0.9523580              0.2868020        
S   1
  1      0.3170410              1.0000000        
S   1
  1      0.1224900              1.0000000        
S   1
  1      0.0404000              1.0000000        
P   5
  1     12.0093000              0.1631810        
  2      8.0330000             -0.4244130        
  3      2.2239300              0.7031340        
  4      1.0213300              0.4641680        
  5      0.3012660              0.0302600        
P   5
  1     12.0093000             -0.0583630        
  2      8.0330000              0.1606310        
  3      2.2239300             -0.3589420        
  4      1.0213300             -0.1621230        
  5      0.3012660              0.6248880        
P   1
  1      0.0999030              1.0000000        
P   1
  1      0.0313000              1.0000000        
D   5
  1     21.3084000              0.0061410        
  2      7.0207600             -0.0706690        
  3      2.7689800              0.3190200        
  4      1.3731400              0.5044700        
  5      0.6368040              0.2924810        
D   1
  1      0.2593000              1.0000000        
D   1
  1      0.1073000              1.0000000        


name: aug-cc-pVDZ-PP
description: VDZPD Valence Double Zeta + Polarization on All Atoms
elt: Rn
data:
RADON
S   6
  1    383.5850000              0.0015720        
  2     23.2936000             -0.0761810        
  3     14.6096000              0.4785080        
  4      7.7319900             -1.0439020        
  5      1.9942400              1.0190710        
  6      1.0240700              0.3914520        
S   6
  1    383.5850000              0.0009020        
  2     23.2936000             -0.0265350        
  3     14.6096000              0.2148510        
  4      7.7319900             -0.5453780        
  5      1.9942400              0.8694020        
  6      1.0240700              0.2728620        
S   1
  1      0.3454220              1.0000000        
S   1
  1      0.1350810              1.0000000        
S   1
  1      0.0449000              1.0000000        
P   5
  1     12.4992000              0.1629940        
  2      8.3397600             -0.4262290        
  3      2.3359100              0.7107760        
  4      1.0901900              0.4580860        
  5      0.3348980              0.0292130        
P   5
  1     12.4992000             -0.0609340        
  2      8.3397600              0.1694830        
  3      2.3359100             -0.3880550        
  4      1.0901900             -0.1612760        
  5      0.3348980              0.6446740        
P   1
  1      0.1125460              1.0000000        
P   1
  1      0.0348000              1.0000000        
D   5
  1     24.1705000              0.0058780        
  2      6.9459900             -0.0765200        
  3      3.0380900              0.3071660        
  4      1.5168400              0.5141680        
  5      0.7091570              0.2972850        
D   1
  1      0.2888000              1.0000000        
D   1
  1      0.1251000              1.0000000        


name: aug-cc-pVDZ-PP Diffuse
description: N/A
elt: Y
data:
YTTRIUM
S   1
  1      0.0109000              1.0000000        
P   1
  1      0.0117000              1.0000000        
D   1
  1      0.0119000              1.0000000        
F   1
  1      0.0484000              1.0000000        


name: aug-cc-pVDZ-PP Diffuse
description: N/A
elt: Zr
data:
ZIRCONIUM
S   1
  1      0.0118000              1.0000000        
P   1
  1      0.0114000              1.0000000        
D   1
  1      0.0159000              1.0000000        
F   1
  1      0.0891000              1.0000000        


name: aug-cc-pVDZ-PP Diffuse
description: N/A
elt: Nb
data:
NIOBIUM
S   1
  1      0.0125000              1.0000000        
P   1
  1      0.0123000              1.0000000        
D   1
  1      0.0204000              1.0000000        
F   1
  1      0.1387000              1.0000000        


name: aug-cc-pVDZ-PP Diffuse
description: N/A
elt: Mo
data:
MOLYBDENUM
S   1
  1      0.0131000              1.0000000        
P   1
  1      0.0131000              1.0000000        
D   1
  1      0.0231000              1.0000000        
F   1
  1      0.1850000              1.0000000        


name: aug-cc-pVDZ-PP Diffuse
description: N/A
elt: Tc
data:
TECHNETIUM
S   1
  1      0.0137000              1.0000000        
P   1
  1      0.0136000              1.0000000        
D   1
  1      0.0264000              1.0000000        
F   1
  1      0.2272000              1.0000000        


name: aug-cc-pVDZ-PP Diffuse
description: N/A
elt: Ru
data:
RUTHENIUM
S   1
  1      0.0144000              1.0000000        
P   1
  1      0.0137000              1.0000000        
D   1
  1      0.0302000              1.0000000        
F   1
  1      0.2719000              1.0000000        


name: aug-cc-pVDZ-PP Diffuse
description: N/A
elt: Rh
data:
RHODIUM
S   1
  1      0.0150000              1.0000000        
P   1
  1      0.0151000              1.0000000        
D   1
  1      0.0420000              1.0000000        
F   1
  1      0.3222000              1.0000000        


name: aug-cc-pVDZ-PP Diffuse
description: N/A
elt: Pd
data:
PALLADIUM
S   1
  1      0.0156000              1.0000000        
P   1
  1      0.0145000              1.0000000        
D   1
  1      0.0467000              1.0000000        
F   1
  1      0.3788000              1.0000000        


name: aug-cc-pVDZ-PP Diffuse
description: 1D Diffuse Functions
elt: Cu
data:
COPPER
S   1
  1      0.0174000              1.0000000        
P   1
  1      0.0170000              1.0000000        
D   1
  1      0.0872000              1.0000000        
F   1
  1      0.9066000              1.0000000        


name: aug-cc-pVDZ-PP Diffuse
description: 1D Diffuse Functions
elt: Zn
data:
ZINC
S   1
  1      0.0181000              1.0000000        
P   1
  1      0.0174000              1.0000000        
D   1
  1      0.1172000              1.0000000        
F   1
  1      1.0870000              1.0000000        


name: aug-cc-pVDZ-PP Diffuse
description: 1D Diffuse Functions
elt: Ga
data:
GALLIUM
S   1
  1      0.0222000              1.0000000        
P   1
  1      0.0145000              1.0000000        
D   1
  1      0.0514000              1.0000000        


name: aug-cc-pVDZ-PP Diffuse
description: 1D Diffuse Functions
elt: Ge
data:
GERMANIUM
S   1
  1      0.0310000              1.0000000        
P   1
  1      0.0232000              1.0000000        
D   1
  1      0.0780000              1.0000000        


name: aug-cc-pVDZ-PP Diffuse
description: 1D Diffuse Functions
elt: As
data:
ARSENIC
S   1
  1      0.0370000              1.0000000        
P   1
  1      0.0308000              1.0000000        
D   1
  1      0.1000000              1.0000000        


name: aug-cc-pVDZ-PP Diffuse
description: 1D Diffuse Functions
elt: Se
data:
SELENIUM
S   1
  1      0.0433000              1.0000000        
P   1
  1      0.0345000              1.0000000        
D   1
  1      0.1260000              1.0000000        


name: aug-cc-pVDZ-PP Diffuse
description: 1D Diffuse Functions
elt: Br
data:
BROMINE
S   1
  1      0.0502000              1.0000000        
P   1
  1      0.0394000              1.0000000        
D   1
  1      0.1548000              1.0000000        


name: aug-cc-pVDZ-PP Diffuse
description: 1D Diffuse Functions
elt: Kr
data:
KRYPTON
S   1
  1      0.0571000              1.0000000        
P   1
  1      0.0443000              1.0000000        
D   1
  1      0.1836000              1.0000000        


name: aug-cc-pVDZ-PP Diffuse
description: 1D Diffuse Functions
elt: Y
data:
YTTRIUM
S   1
  1      0.0109000              1.0000000        
P   1
  1      0.0117000              1.0000000        
D   1
  1      0.0119000              1.0000000        
F   1
  1      0.0484000              1.0000000        


name: aug-cc-pVDZ-PP Diffuse
description: 1D Diffuse Functions
elt: Pd
data:
PALLADIUM
S   1
  1      0.0156000              1.0000000        
P   1
  1      0.0145000              1.0000000        
D   1
  1      0.0467000              1.0000000        
F   1
  1      0.3788000              1.0000000        


name: aug-cc-pVDZ-PP Diffuse
description: 1D Diffuse Functions
elt: Ag
data:
SILVER
S   1
  1      0.0162000              1.0000000        
P   1
  1      0.0152000              1.0000000        
D   1
  1      0.0620000              1.0000000        
F   1
  1      0.4449000              1.0000000        


name: aug-cc-pVDZ-PP Diffuse
description: 1D Diffuse Functions
elt: Cd
data:
CADMIUM
S   1
  1      0.0167000              1.0000000        
P   1
  1      0.0153000              1.0000000        
D   1
  1      0.0782000              1.0000000        
F   1
  1      0.5177000              1.0000000        


name: aug-cc-pVDZ-PP Diffuse
description: 1D Diffuse Functions
elt: In
data:
INDIUM
S   1
  1      0.0203000              1.0000000        
P   1
  1      0.0141000              1.0000000        
D   1
  1      0.0472000              1.0000000        


name: aug-cc-pVDZ-PP Diffuse
description: 1D Diffuse Functions
elt: Sn
data:
TIN
S   1
  1      0.0275000              1.0000000        
P   1
  1      0.0209000              1.0000000        
D   1
  1      0.0649000              1.0000000        


name: aug-cc-pVDZ-PP Diffuse
description: 1D Diffuse Functions
elt: Sb
data:
ANTIMONY
S   1
  1      0.0327000              1.0000000        
P   1
  1      0.0271000              1.0000000        
D   1
  1      0.0802000              1.0000000        


name: aug-cc-pVDZ-PP Diffuse
description: 1D Diffuse Functions
elt: Te
data:
TELLURIUM
S   1
  1      0.0369000              1.0000000        
P   1
  1      0.0299000              1.0000000        
D   1
  1      0.0988000              1.0000000        


name: aug-cc-pVDZ-PP Diffuse
description: 1D Diffuse Functions
elt: I
data:
IODINE
S   1
  1      4.200000E-02           1.0000000        
P   1
  1      3.380000E-02           1.0000000        
D   1
  1      1.191000E-01           1.0000000        


name: aug-cc-pVDZ-PP Diffuse
description: 1D Diffuse Functions
elt: Xe
data:
XENON
S   1
  1      0.0473000              1.0000000        
P   1
  1      0.0379000              1.0000000        
D   1
  1      0.1404000              1.0000000        


name: aug-cc-pVDZ-PP Diffuse
description: 1D Diffuse Functions
elt: Hf
data:
HAFNIUM
S   1
  1      0.0135000              1.0000000        
P   1
  1      0.0126000              1.0000000        
D   1
  1      0.0179000              1.0000000        
F   1
  1      0.0824000              1.0000000        


name: aug-cc-pVDZ-PP Diffuse
description: 1D Diffuse Functions
elt: Pt
data:
PLATINUM
S   1
  1      0.0185000              1.0000000        
P   1
  1      0.0139000              1.0000000        
D   1
  1      0.0389000              1.0000000        
F   1
  1      0.3357000              1.0000000        


name: aug-cc-pVDZ-PP Diffuse
description: 1D Diffuse Functions
elt: Au
data:
GOLD
S   1
  1      0.0193000              1.0000000        
P   1
  1      0.0147000              1.0000000        
D   1
  1      0.0489000              1.0000000        
F   1
  1      0.3789000              1.0000000        


name: aug-cc-pVDZ-PP Diffuse
description: 1D Diffuse Functions
elt: Hg
data:
MERCURY
S   1
  1      0.0199000              1.0000000        
P   1
  1      0.0147000              1.0000000        
D   1
  1      0.0585000              1.0000000        
F   1
  1      0.4377000              1.0000000        


name: aug-cc-pVDZ-PP Diffuse
description: 1D Diffuse Functions
elt: Tl
data:
THALLIUM
S   1
  1      0.0206000              1.0000000        
P   1
  1      0.0130000              1.0000000        
D   1
  1      0.0437000              1.0000000        


name: aug-cc-pVDZ-PP Diffuse
description: 1D Diffuse Functions
elt: Pb
data:
LEAD
S   1
  1      0.0278000              1.0000000        
P   1
  1      0.0197000              1.0000000        
D   1
  1      0.0609000              1.0000000        


name: aug-cc-pVDZ-PP Diffuse
description: 1D Diffuse Functions
elt: Bi
data:
BISMUTH
S   1
  1      0.0317000              1.0000000        
P   1
  1      0.0254000              1.0000000        
D   1
  1      0.0745000              1.0000000        


name: aug-cc-pVDZ-PP Diffuse
description: 1D Diffuse Functions
elt: Po
data:
POLONIUM
S   1
  1      0.0359000              1.0000000        
P   1
  1      0.0278000              1.0000000        
D   1
  1      0.0895000              1.0000000        


name: aug-cc-pVDZ-PP Diffuse
description: 1D Diffuse Functions
elt: At
data:
ASTATINE
S   1
  1      0.0404000              1.0000000        
P   1
  1      0.0313000              1.0000000        
D   1
  1      0.1073000              1.0000000        


name: aug-cc-pVDZ-PP Diffuse
description: 1D Diffuse Functions
elt: Rn
data:
RADON
S   1
  1      0.0449000              1.0000000        
P   1
  1      0.0348000              1.0000000        
D   1
  1      0.1251000              1.0000000        


name: aug-cc-pVDZ-PP MP2 Fitting
description: aug-cc-pVDZ-PP/MP2Fit auxiliary basis set diffuse functions
elt: Hf
data:
HAFNIUM
S   1
  1      0.0073050              1.0000000        
P   1
  1      0.0065620              1.0000000        
D   1
  1      0.0411240              1.0000000        
F   1
  1      0.0513030              1.0000000        
G   1
  1      0.0492610              1.0000000        
H   1
  1      0.1965820              1.0000000        


name: aug-cc-pVDZ-PP MP2 Fitting
description: aug-cc-pVDZ-PP/MP2Fit auxiliary basis set diffuse functions
elt: Ta
data:
TANTALUM
S   1
  1      0.0122530              1.0000000        
P   1
  1      0.0178300              1.0000000        
D   1
  1      0.0502560              1.0000000        
F   1
  1      0.0319840              1.0000000        
G   1
  1      0.0806470              1.0000000        
H   1
  1      0.2769540              1.0000000        


name: aug-cc-pVDZ-PP MP2 Fitting
description: aug-cc-pVDZ-PP/MP2Fit auxiliary basis set diffuse functions
elt: W
data:
TUNGSTEN
S   1
  1      0.0150570              1.0000000        
P   1
  1      0.0147440              1.0000000        
D   1
  1      0.0573060              1.0000000        
F   1
  1      0.0601530              1.0000000        
G   1
  1      0.0722970              1.0000000        
H   1
  1      0.3818820              1.0000000        


name: aug-cc-pVDZ-PP MP2 Fitting
description: aug-cc-pVDZ-PP/MP2Fit auxiliary basis set diffuse functions
elt: Re
data:
RHENIUM
S   1
  1      0.0234640              1.0000000        
P   1
  1      0.0232980              1.0000000        
D   1
  1      0.0635900              1.0000000        
F   1
  1      0.0513040              1.0000000        
G   1
  1      0.0888790              1.0000000        
H   1
  1      0.4394400              1.0000000        


name: aug-cc-pVDZ-PP MP2 Fitting
description: aug-cc-pVDZ-PP/MP2Fit auxiliary basis set diffuse functions
elt: Os
data:
OSMIUM
S   1
  1      0.0435520              1.0000000        
P   1
  1      0.0357500              1.0000000        
D   1
  1      0.0631840              1.0000000        
F   1
  1      0.0642150              1.0000000        
G   1
  1      0.0972410              1.0000000        
H   1
  1      0.5176980              1.0000000        


name: aug-cc-pVDZ-PP MP2 Fitting
description: aug-cc-pVDZ-PP/MP2Fit auxiliary basis set diffuse functions
elt: Ir
data:
IRIDIUM
S   1
  1      0.0516400              1.0000000        
P   1
  1      0.0484810              1.0000000        
D   1
  1      0.0680470              1.0000000        
F   1
  1      0.0825750              1.0000000        
G   1
  1      0.1311310              1.0000000        
H   1
  1      0.6191870              1.0000000        


name: aug-cc-pVDZ-PP MP2 Fitting
description: aug-cc-pVDZ-PP/MP2Fit auxiliary basis set diffuse functions
elt: Pt
data:
PLATINUM
S   1
  1      0.0502530              1.0000000        
P   1
  1      0.0420960              1.0000000        
D   1
  1      0.0736330              1.0000000        
F   1
  1      0.0819450              1.0000000        
G   1
  1      0.1237160              1.0000000        
H   1
  1      0.6912880              1.0000000        


name: aug-cc-pVDZ-PP MP2 Fitting
description: MP2 auxiliary basis for use with aug-cc-pVDZ-PP AO basis set
elt: Y
data:
YTTRIUM
S   1
  1      9.9998959              1.0000000        
S   1
  1      4.5422739              1.0000000        
S   1
  1      2.5870177              1.0000000        
S   1
  1      1.6462994              1.0000000        
S   1
  1      0.8814866              1.0000000        
S   1
  1      0.4103836              1.0000000        
S   1
  1      0.1834830              1.0000000        
S   1
  1      0.1210888              1.0000000        
S   1
  1      0.0632196              1.0000000        
P   1
  1     13.9548741              1.0000000        
P   1
  1      7.0001606              1.0000000        
P   1
  1      3.0677716              1.0000000        
P   1
  1      1.5490417              1.0000000        
P   1
  1      0.7293533              1.0000000        
P   1
  1      0.3368609              1.0000000        
P   1
  1      0.1442399              1.0000000        
P   1
  1      0.0765992              1.0000000        
P   1
  1      0.0371326              1.0000000        
D   1
  1      7.9531816              1.0000000        
D   1
  1      3.8973636              1.0000000        
D   1
  1      1.4298630              1.0000000        
D   1
  1      0.5888668              1.0000000        
D   1
  1      0.3294884              1.0000000        
D   1
  1      0.1391451              1.0000000        
D   1
  1      0.0898663              1.0000000        
F   1
  1      8.6828088              1.0000000        
F   1
  1      4.8115142              1.0000000        
F   1
  1      1.5289793              1.0000000        
F   1
  1      0.7311676              1.0000000        
F   1
  1      0.3640146              1.0000000        
F   1
  1      0.2463646              1.0000000        
F   1
  1      0.1029627              1.0000000        
G   1
  1      4.4139765              1.0000000        
G   1
  1      1.3039174              1.0000000        
G   1
  1      0.5295185              1.0000000        
G   1
  1      0.2061357              1.0000000        
G   1
  1      0.1015122              1.0000000        
H   1
  1      1.7954680              1.0000000        
H   1
  1      0.4049849              1.0000000        
H   1
  1      0.1494454              1.0000000        


name: aug-cc-pVDZ-PP MP2 Fitting
description: MP2 auxiliary basis for use with aug-cc-pVDZ-PP AO basis set
elt: Zr
data:
ZIRCONIUM
S   1
  1     10.8639406              1.0000000        
S   1
  1      5.1118339              1.0000000        
S   1
  1      2.8097751              1.0000000        
S   1
  1      1.8672394              1.0000000        
S   1
  1      1.1426741              1.0000000        
S   1
  1      0.3575764              1.0000000        
S   1
  1      0.2496606              1.0000000        
S   1
  1      0.2003257              1.0000000        
S   1
  1      0.0152019              1.0000000        
P   1
  1     13.4873688              1.0000000        
P   1
  1      6.7396759              1.0000000        
P   1
  1      3.2085416              1.0000000        
P   1
  1      1.7697116              1.0000000        
P   1
  1      0.8622831              1.0000000        
P   1
  1      0.3460653              1.0000000        
P   1
  1      0.1890862              1.0000000        
P   1
  1      0.1173008              1.0000000        
P   1
  1      0.0185122              1.0000000        
D   1
  1      7.9392461              1.0000000        
D   1
  1      3.8551537              1.0000000        
D   1
  1      1.8122068              1.0000000        
D   1
  1      0.6206069              1.0000000        
D   1
  1      0.4733020              1.0000000        
D   1
  1      0.2037529              1.0000000        
D   1
  1      0.0251416              1.0000000        
F   1
  1      6.3533888              1.0000000        
F   1
  1      1.8488215              1.0000000        
F   1
  1      0.9735410              1.0000000        
F   1
  1      0.4364406              1.0000000        
F   1
  1      0.2558005              1.0000000        
F   1
  1      0.1558688              1.0000000        
F   1
  1      0.0263815              1.0000000        
G   1
  1      3.9385025              1.0000000        
G   1
  1      1.4961727              1.0000000        
G   1
  1      0.7065896              1.0000000        
G   1
  1      0.2711795              1.0000000        
G   1
  1      0.0349619              1.0000000        
H   1
  1      1.2686629              1.0000000        
H   1
  1      0.5575380              1.0000000        
H   1
  1      0.1656353              1.0000000        


name: aug-cc-pVDZ-PP MP2 Fitting
description: MP2 auxiliary basis for use with aug-cc-pVDZ-PP AO basis set
elt: Nb
data:
NIOBIUM
S   1
  1      9.9827729              1.0000000        
S   1
  1      4.9925885              1.0000000        
S   1
  1      3.0000381              1.0000000        
S   1
  1      2.0066020              1.0000000        
S   1
  1      1.0072010              1.0000000        
S   1
  1      0.4703170              1.0000000        
S   1
  1      0.2340242              1.0000000        
S   1
  1      0.2268048              1.0000000        
S   1
  1      0.0620002              1.0000000        
P   1
  1     12.6702493              1.0000000        
P   1
  1      6.1363293              1.0000000        
P   1
  1      3.1046524              1.0000000        
P   1
  1      1.9631204              1.0000000        
P   1
  1      0.9339591              1.0000000        
P   1
  1      0.4187528              1.0000000        
P   1
  1      0.1856671              1.0000000        
P   1
  1      0.1312939              1.0000000        
P   1
  1      0.0589339              1.0000000        
D   1
  1      8.0000134              1.0000000        
D   1
  1      3.9952383              1.0000000        
D   1
  1      1.9798200              1.0000000        
D   1
  1      0.7548924              1.0000000        
D   1
  1      0.4719898              1.0000000        
D   1
  1      0.2199435              1.0000000        
D   1
  1      0.0975649              1.0000000        
F   1
  1      8.9962293              1.0000000        
F   1
  1      2.1662986              1.0000000        
F   1
  1      1.2052262              1.0000000        
F   1
  1      0.5575170              1.0000000        
F   1
  1      0.2727488              1.0000000        
F   1
  1      0.1626343              1.0000000        
F   1
  1      0.0727277              1.0000000        
G   1
  1      3.1128723              1.0000000        
G   1
  1      1.3935109              1.0000000        
G   1
  1      0.7992067              1.0000000        
G   1
  1      0.2915267              1.0000000        
G   1
  1      0.1854276              1.0000000        
H   1
  1      1.5801624              1.0000000        
H   1
  1      0.7440554              1.0000000        
H   1
  1      0.3130658              1.0000000        


name: aug-cc-pVDZ-PP MP2 Fitting
description: MP2 auxiliary basis for use with aug-cc-pVDZ-PP AO basis set
elt: Mo
data:
MOLYBDENUM
S   1
  1      9.9696105              1.0000000        
S   1
  1      4.9790714              1.0000000        
S   1
  1      2.9889314              1.0000000        
S   1
  1      2.2662436              1.0000000        
S   1
  1      1.0724404              1.0000000        
S   1
  1      0.5002894              1.0000000        
S   1
  1      0.2298723              1.0000000        
S   1
  1      0.0874816              1.0000000        
S   1
  1      0.0444379              1.0000000        
P   1
  1     11.8072619              1.0000000        
P   1
  1      5.4237180              1.0000000        
P   1
  1      2.7935488              1.0000000        
P   1
  1      1.9532130              1.0000000        
P   1
  1      1.0281809              1.0000000        
P   1
  1      0.4619382              1.0000000        
P   1
  1      0.1762932              1.0000000        
P   1
  1      0.0807349              1.0000000        
P   1
  1      0.0468229              1.0000000        
D   1
  1      7.9629793              1.0000000        
D   1
  1      4.0187832              1.0000000        
D   1
  1      2.0404685              1.0000000        
D   1
  1      0.9584822              1.0000000        
D   1
  1      0.3308412              1.0000000        
D   1
  1      0.1266242              1.0000000        
D   1
  1      0.0703327              1.0000000        
F   1
  1      8.9232103              1.0000000        
F   1
  1      4.4924584              1.0000000        
F   1
  1      1.7636209              1.0000000        
F   1
  1      0.7308756              1.0000000        
F   1
  1      0.2625669              1.0000000        
F   1
  1      0.1352745              1.0000000        
F   1
  1      0.0806330              1.0000000        
G   1
  1      2.5555952              1.0000000        
G   1
  1      1.2208905              1.0000000        
G   1
  1      0.4490691              1.0000000        
G   1
  1      0.1586286              1.0000000        
G   1
  1      0.8257803              1.0000000        
H   1
  1      1.8207965              1.0000000        
H   1
  1      0.9203771              1.0000000        
H   1
  1      0.3749196              1.0000000        


name: aug-cc-pVDZ-PP MP2 Fitting
description: MP2 auxiliary basis for use with aug-cc-pVDZ-PP AO basis set
elt: Tc
data:
TECHNETIUM
S   1
  1      9.7366579              1.0000000        
S   1
  1      4.9252351              1.0000000        
S   1
  1      3.0125922              1.0000000        
S   1
  1      2.0354115              1.0000000        
S   1
  1      1.0212990              1.0000000        
S   1
  1      0.4981360              1.0000000        
S   1
  1      0.2444826              1.0000000        
S   1
  1      0.0971309              1.0000000        
S   1
  1      0.0501885              1.0000000        
P   1
  1     11.2404881              1.0000000        
P   1
  1      4.9020009              1.0000000        
P   1
  1      2.4064251              1.0000000        
P   1
  1      1.7454890              1.0000000        
P   1
  1      0.9249555              1.0000000        
P   1
  1      0.4475147              1.0000000        
P   1
  1      0.2061869              1.0000000        
P   1
  1      0.0982260              1.0000000        
P   1
  1      0.0496908              1.0000000        
D   1
  1      7.3466949              1.0000000        
D   1
  1      3.8926091              1.0000000        
D   1
  1      2.4161195              1.0000000        
D   1
  1      0.9586962              1.0000000        
D   1
  1      0.3826328              1.0000000        
D   1
  1      0.1392181              1.0000000        
D   1
  1      0.0643032              1.0000000        
F   1
  1      8.5919181              1.0000000        
F   1
  1      2.4981462              1.0000000        
F   1
  1      1.1670489              1.0000000        
F   1
  1      0.6520553              1.0000000        
F   1
  1      0.2640527              1.0000000        
F   1
  1      0.1245517              1.0000000        
F   1
  1      0.0701844              1.0000000        
G   1
  1      2.8430565              1.0000000        
G   1
  1      1.3916766              1.0000000        
G   1
  1      0.5177090              1.0000000        
G   1
  1      0.1856204              1.0000000        
G   1
  1      0.0922500              1.0000000        
H   1
  1      2.2976655              1.0000000        
H   1
  1      1.1303991              1.0000000        
H   1
  1      0.4177232              1.0000000        


name: aug-cc-pVDZ-PP MP2 Fitting
description: MP2 auxiliary basis for use with aug-cc-pVDZ-PP AO basis set
elt: Ru
data:
RUTHENIUM
S   1
  1      9.5123655322           1.0000000        
S   1
  1      4.6798082136           1.0000000        
S   1
  1      2.9821150009           1.0000000        
S   1
  1      2.0720263679           1.0000000        
S   1
  1      1.0400689738           1.0000000        
S   1
  1      0.51546880141          1.0000000        
S   1
  1      0.25053175985          1.0000000        
S   1
  1      0.10391705632          1.0000000        
S   1
  1      0.48435076287E-01            1.0000000        
P   1
  1     11.651446392            1.0000000        
P   1
  1      5.0777080565           1.0000000        
P   1
  1      2.3529288731           1.0000000        
P   1
  1      1.5728760421           1.0000000        
P   1
  1      0.82898189701          1.0000000        
P   1
  1      0.38473576892          1.0000000        
P   1
  1      0.20043281124          1.0000000        
P   1
  1      0.97578676706E-01            1.0000000        
P   1
  1      0.49936042524E-01            1.0000000        
D   1
  1      6.1021648456           1.0000000        
D   1
  1      3.1947420359           1.0000000        
D   1
  1      2.3671166178           1.0000000        
D   1
  1      1.2449503073           1.0000000        
D   1
  1      0.41372869534          1.0000000        
D   1
  1      0.16387753219          1.0000000        
D   1
  1      0.10862401354          1.0000000        
F   1
  1      8.0990513833           1.0000000        
F   1
  1      2.7768696813           1.0000000        
F   1
  1      1.2100971391           1.0000000        
F   1
  1      0.64866263726          1.0000000        
F   1
  1      0.28411998396          1.0000000        
F   1
  1      0.11426041628          1.0000000        
F   1
  1      0.81055907855E-01            1.0000000        
G   1
  1      3.1074958089           1.0000000        
G   1
  1      1.6074295732           1.0000000        
G   1
  1      0.58271444321          1.0000000        
G   1
  1      0.21480523054          1.0000000        
G   1
  1      0.13742666146          1.0000000        
H   1
  1      2.5142899238           1.0000000        
H   1
  1      1.3005446166           1.0000000        
H   1
  1      0.51967602516          1.0000000        


name: aug-cc-pVDZ-PP MP2 Fitting
description: MP2 auxiliary basis for use with aug-cc-pVDZ-PP AO basis set
elt: Rh
data:
RHODIUM
S   1
  1      8.7506295              1.0000000        
S   1
  1      4.3162562              1.0000000        
S   1
  1      2.8681999              1.0000000        
S   1
  1      2.0567779              1.0000000        
S   1
  1      1.0387697              1.0000000        
S   1
  1      0.4202611              1.0000000        
S   1
  1      0.2200369              1.0000000        
S   1
  1      0.1123016              1.0000000        
S   1
  1      0.0545808              1.0000000        
P   1
  1     12.6603086              1.0000000        
P   1
  1      5.4551991              1.0000000        
P   1
  1      2.6317276              1.0000000        
P   1
  1      1.7084563              1.0000000        
P   1
  1      0.8034347              1.0000000        
P   1
  1      0.4076274              1.0000000        
P   1
  1      0.2266520              1.0000000        
P   1
  1      0.1101958              1.0000000        
P   1
  1      0.0505609              1.0000000        
D   1
  1      6.1512794              1.0000000        
D   1
  1      3.2752204              1.0000000        
D   1
  1      1.8891669              1.0000000        
D   1
  1      1.0631439              1.0000000        
D   1
  1      0.4677763              1.0000000        
D   1
  1      0.2092688              1.0000000        
D   1
  1      0.0714559              1.0000000        
F   1
  1      7.9636237              1.0000000        
F   1
  1      3.2274098              1.0000000        
F   1
  1      1.4237151              1.0000000        
F   1
  1      0.7772677              1.0000000        
F   1
  1      0.3239436              1.0000000        
F   1
  1      0.1591986              1.0000000        
F   1
  1      0.0689881              1.0000000        
G   1
  1      3.6343953              1.0000000        
G   1
  1      1.9096304              1.0000000        
G   1
  1      0.7721994              1.0000000        
G   1
  1      0.3018875              1.0000000        
G   1
  1      0.1002317              1.0000000        
H   1
  1      3.0094604              1.0000000        
H   1
  1      1.5432585              1.0000000        
H   1
  1      0.5831460              1.0000000        


name: aug-cc-pVDZ-PP MP2 Fitting
description: MP2 auxiliary basis for use with aug-cc-pVDZ-PP AO basis set
elt: Pd
data:
PALLADIUM
S   1
  1      9.9785321              1.0000000        
S   1
  1      4.8469832              1.0000000        
S   1
  1      2.8055345              1.0000000        
S   1
  1      2.0288622              1.0000000        
S   1
  1      1.0172102              1.0000000        
S   1
  1      0.4810286              1.0000000        
S   1
  1      0.2399937              1.0000000        
S   1
  1      0.1009255              1.0000000        
S   1
  1      0.0590415              1.0000000        
P   1
  1     13.4823334              1.0000000        
P   1
  1      6.4815749              1.0000000        
P   1
  1      2.7698870              1.0000000        
P   1
  1      1.7223920              1.0000000        
P   1
  1      0.8173028              1.0000000        
P   1
  1      0.4555580              1.0000000        
P   1
  1      0.2343004              1.0000000        
P   1
  1      0.1162283              1.0000000        
P   1
  1      0.0501775              1.0000000        
D   1
  1      6.6429671              1.0000000        
D   1
  1      3.2324988              1.0000000        
D   1
  1      1.8174281              1.0000000        
D   1
  1      0.9829510              1.0000000        
D   1
  1      0.4565886              1.0000000        
D   1
  1      0.2190463              1.0000000        
D   1
  1      0.0580496              1.0000000        
F   1
  1      7.8049553              1.0000000        
F   1
  1      3.7073721              1.0000000        
F   1
  1      1.5893083              1.0000000        
F   1
  1      0.8691412              1.0000000        
F   1
  1      0.3485283              1.0000000        
F   1
  1      0.1809858              1.0000000        
F   1
  1      0.1552739              1.0000000        
G   1
  1      3.8889162              1.0000000        
G   1
  1      2.1333713              1.0000000        
G   1
  1      0.8383488              1.0000000        
G   1
  1      0.3339687              1.0000000        
G   1
  1      0.1652085              1.0000000        
H   1
  1      3.3433456              1.0000000        
H   1
  1      1.7586391              1.0000000        
H   1
  1      0.7133880              1.0000000        


name: aug-cc-pVDZ-PP MP2 Fitting
description: MP2 auxiliary basis for use with aug-cc-pVDZ-PP AO basis set
elt: Hf
data:
HAFNIUM
S   1
  1      0.0073050              1.0000000        
P   1
  1      0.0065620              1.0000000        
D   1
  1      0.0411240              1.0000000        
F   1
  1      0.0513030              1.0000000        
G   1
  1      0.0492610              1.0000000        
H   1
  1      0.1965820              1.0000000        


name: aug-cc-pVDZ-PP MP2 Fitting
description: MP2 auxiliary basis for use with aug-cc-pVDZ-PP AO basis set
elt: Pd
data:
PALLADIUM
S   1
  1      9.9785321              1.0000000        
S   1
  1      4.8469832              1.0000000        
S   1
  1      2.8055345              1.0000000        
S   1
  1      2.0288622              1.0000000        
S   1
  1      1.0172102              1.0000000        
S   1
  1      0.4810286              1.0000000        
S   1
  1      0.2399937              1.0000000        
S   1
  1      0.1009255              1.0000000        
S   1
  1      0.0590415              1.0000000        
P   1
  1     13.4823334              1.0000000        
P   1
  1      6.4815749              1.0000000        
P   1
  1      2.7698870              1.0000000        
P   1
  1      1.7223920              1.0000000        
P   1
  1      0.8173028              1.0000000        
P   1
  1      0.4555580              1.0000000        
P   1
  1      0.2343004              1.0000000        
P   1
  1      0.1162283              1.0000000        
P   1
  1      0.0501775              1.0000000        
D   1
  1      6.6429671              1.0000000        
D   1
  1      3.2324988              1.0000000        
D   1
  1      1.8174281              1.0000000        
D   1
  1      0.9829510              1.0000000        
D   1
  1      0.4565886              1.0000000        
D   1
  1      0.2190463              1.0000000        
D   1
  1      0.0580496              1.0000000        
F   1
  1      7.8049553              1.0000000        
F   1
  1      3.7073721              1.0000000        
F   1
  1      1.5893083              1.0000000        
F   1
  1      0.8691412              1.0000000        
F   1
  1      0.3485283              1.0000000        
F   1
  1      0.1809858              1.0000000        
F   1
  1      0.1552739              1.0000000        
G   1
  1      3.8889162              1.0000000        
G   1
  1      2.1333713              1.0000000        
G   1
  1      0.8383488              1.0000000        
G   1
  1      0.3339687              1.0000000        
G   1
  1      0.1652085              1.0000000        
H   1
  1      3.3433456              1.0000000        
H   1
  1      1.7586391              1.0000000        
H   1
  1      0.7133880              1.0000000        


name: aug-cc-pVDZ-PP-RI Diffuse
elt: Cu
data:
COPPER
S   1
  1      0.55704100000E-01            1.0000000        
P   1
  1      0.64987200000E-01            1.0000000        
D   1
  1      0.14546100000          1.0000000        
F   1
  1      0.12179900000          1.0000000        
G   1
  1      0.32154800000          1.0000000        
H   1
  1      1.6632700000           1.0000000        


name: aug-cc-pVDZ-PP-RI Diffuse
elt: Zn
data:
ZINC
S   1
  1      0.61992000000E-01            1.0000000        
P   1
  1      0.61171600000E-01            1.0000000        
D   1
  1      0.19500400000          1.0000000        
F   1
  1      0.13690400000          1.0000000        
G   1
  1      0.43605400000          1.0000000        
H   1
  1      2.0347300000           1.0000000        


name: aug-cc-pVDZ-PP-RI Diffuse
elt: Ga
data:
GALLIUM
S   1
  1      0.20261100000E-01            1.0000000        
P   1
  1      0.54423000000E-01            1.0000000        
D   1
  1      0.34502900000E-01            1.0000000        
F   1
  1      0.10261500000          1.0000000        
G   1
  1      0.34810900000          1.0000000        


name: aug-cc-pVDZ-PP-RI Diffuse
elt: Ge
data:
GERMANIUM
S   1
  1      0.38598400000E-01            1.0000000        
P   1
  1      0.84231500000E-01            1.0000000        
D   1
  1      0.59087700000E-01            1.0000000        
F   1
  1      0.15834800000          1.0000000        
G   1
  1      0.50955200000          1.0000000        


name: aug-cc-pVDZ-PP-RI Diffuse
elt: As
data:
ARSENIC
S   1
  1      0.47944000000E-01            1.0000000        
P   1
  1      0.10469100000          1.0000000        
D   1
  1      0.73747700000E-01            1.0000000        
F   1
  1      0.17855300000          1.0000000        
G   1
  1      0.60851500000          1.0000000        


name: aug-cc-pVDZ-PP-RI Diffuse
elt: Se
data:
SELENIUM
S   1
  1      0.58266100000E-01            1.0000000        
P   1
  1      0.12996700000          1.0000000        
D   1
  1      0.89376000000E-01            1.0000000        
F   1
  1      0.23279600000          1.0000000        
G   1
  1      0.87103000000          1.0000000        


name: aug-cc-pVDZ-PP-RI Diffuse
elt: Br
data:
BROMINE
S   1
  1      0.76199700000E-01            1.0000000        
P   1
  1      0.15768500000          1.0000000        
D   1
  1      0.10953800000          1.0000000        
F   1
  1      0.29554200000          1.0000000        
G   1
  1      0.86944600000          1.0000000        


name: aug-cc-pVDZ-PP-RI Diffuse
elt: Kr
data:
KRYPTON
S   1
  1      0.11731900000          1.0000000        
P   1
  1      0.20499300000          1.0000000        
D   1
  1      0.16722300000          1.0000000        
F   1
  1      0.36704700000          1.0000000        
G   1
  1      1.2090700000           1.0000000        


name: aug-cc-pVDZ-PP-RI Diffuse
elt: Ag
data:
SILVER
S   1
  1      0.64866800000E-01            1.0000000        
P   1
  1      0.65380500000E-01            1.0000000        
D   1
  1      0.11179800000          1.0000000        
F   1
  1      0.12604400000          1.0000000        
G   1
  1      0.22158300000          1.0000000        
H   1
  1      0.83975800000          1.0000000        


name: aug-cc-pVDZ-PP-RI Diffuse
elt: Cd
data:
CADMIUM
S   1
  1      0.48975300000E-01            1.0000000        
P   1
  1      0.45810800000E-01            1.0000000        
D   1
  1      0.14155000000          1.0000000        
F   1
  1      0.15761000000          1.0000000        
G   1
  1      0.29413400000          1.0000000        
H   1
  1      0.99072700000          1.0000000        


name: aug-cc-pVDZ-PP-RI Diffuse
elt: In
data:
INDIUM
S   1
  1      0.53122100000E-01            1.0000000        
P   1
  1      0.51840800000E-01            1.0000000        
D   1
  1      0.81985800000E-01            1.0000000        
F   1
  1      0.91117500000E-01            1.0000000        
G   1
  1      0.38443700000          1.0000000        


name: aug-cc-pVDZ-PP-RI Diffuse
elt: Sn
data:
TIN
S   1
  1      0.58878100000E-01            1.0000000        
P   1
  1      0.70835300000E-01            1.0000000        
D   1
  1      0.85799800000E-01            1.0000000        
F   1
  1      0.13260300000          1.0000000        
G   1
  1      0.33315600000          1.0000000        


name: aug-cc-pVDZ-PP-RI Diffuse
elt: Sb
data:
ANTIMONY
S   1
  1      0.43365800000E-01            1.0000000        
P   1
  1      0.84785100000E-01            1.0000000        
D   1
  1      0.66012600000E-01            1.0000000        
F   1
  1      0.14304400000          1.0000000        
G   1
  1      0.52913800000          1.0000000        


name: aug-cc-pVDZ-PP-RI Diffuse
elt: Te
data:
TELLURIUM
S   1
  1      0.53882700000E-01            1.0000000        
P   1
  1      0.10529500000          1.0000000        
D   1
  1      0.81211000000E-01            1.0000000        
F   1
  1      0.18520400000          1.0000000        
G   1
  1      0.46079700000          1.0000000        


name: aug-cc-pVDZ-PP-RI Diffuse
elt: I
data:
IODINE
S   1
  1      0.66700000000E-01            1.0000000        
P   1
  1      0.12589300000          1.0000000        
D   1
  1      0.99464900000E-01            1.0000000        
F   1
  1      0.22854600000          1.0000000        
G   1
  1      0.52225400000          1.0000000        


name: aug-cc-pVDZ-PP-RI Diffuse
elt: Xe
data:
XENON
S   1
  1      0.89036600000E-01            1.0000000        
P   1
  1      0.14302300000          1.0000000        
D   1
  1      0.13441400000          1.0000000        
F   1
  1      0.26836400000          1.0000000        
G   1
  1      0.76287500000          1.0000000        


name: aug-cc-pVDZ-PP-RI Diffuse
elt: Au
data:
GOLD
S   1
  1      0.57228400000E-01            1.0000000        
P   1
  1      0.63956300000E-01            1.0000000        
D   1
  1      0.11861300000          1.0000000        
F   1
  1      0.11456100000          1.0000000        
G   1
  1      0.16500000000          1.0000000        
H   1
  1      0.67710900000          1.0000000        


name: aug-cc-pVDZ-PP-RI Diffuse
elt: Hg
data:
MERCURY
S   1
  1      0.65624900000E-01            1.0000000        
P   1
  1      0.55269200000E-01            1.0000000        
D   1
  1      0.12609800000          1.0000000        
F   1
  1      0.12903400000          1.0000000        
G   1
  1      0.19023200000          1.0000000        
H   1
  1      0.80621500000          1.0000000        


name: aug-cc-pVDZ-PP-RI Diffuse
elt: Tl
data:
THALLIUM
S   1
  1      0.31932200000E-01            1.0000000        
P   1
  1      0.49611700000E-01            1.0000000        
D   1
  1      0.45557800000E-01            1.0000000        
F   1
  1      0.83353700000E-01            1.0000000        
G   1
  1      0.23960300000          1.0000000        


name: aug-cc-pVDZ-PP-RI Diffuse
elt: Pb
data:
LEAD
S   1
  1      0.35715300000E-01            1.0000000        
P   1
  1      0.73230700000E-01            1.0000000        
D   1
  1      0.51957100000E-01            1.0000000        
F   1
  1      0.12113600000          1.0000000        
G   1
  1      0.28738700000          1.0000000        


name: aug-cc-pVDZ-PP-RI Diffuse
elt: Bi
data:
BISMUTH
S   1
  1      0.40993800000E-01            1.0000000        
P   1
  1      0.83233800000E-01            1.0000000        
D   1
  1      0.62290600000E-01            1.0000000        
F   1
  1      0.13213800000          1.0000000        
G   1
  1      0.38141300000          1.0000000        


name: aug-cc-pVDZ-PP-RI Diffuse
elt: Po
data:
POLONIUM
S   1
  1      0.51955700000E-01            1.0000000        
P   1
  1      0.10299700000          1.0000000        
D   1
  1      0.74632600000E-01            1.0000000        
F   1
  1      0.16736800000          1.0000000        
G   1
  1      0.46566500000          1.0000000        


name: aug-cc-pVDZ-PP-RI Diffuse
elt: At
data:
ASTATINE
S   1
  1      0.59695900000E-01            1.0000000        
P   1
  1      0.12034800000          1.0000000        
D   1
  1      0.90396600000E-01            1.0000000        
F   1
  1      0.20464500000          1.0000000        
G   1
  1      0.54416300000          1.0000000        


name: aug-cc-pVDZ-PP-RI Diffuse
elt: Rn
data:
RADON
S   1
  1      0.69412500000E-01            1.0000000        
P   1
  1      0.15166600000          1.0000000        
D   1
  1      0.14164300000          1.0000000        
F   1
  1      0.25629300000          1.0000000        
G   1
  1      0.63589100000          1.0000000        


name: aug-cc-pVDZ-PP-RI Diffuse
elt: Hg
data:
MERCURY
S   1
  1      0.65624900000E-01            1.0000000        
P   1
  1      0.55269200000E-01            1.0000000        
D   1
  1      0.12609800000          1.0000000        
F   1
  1      0.12903400000          1.0000000        
G   1
  1      0.19023200000          1.0000000        
H   1
  1      0.80621500000          1.0000000        


name: aug-cc-pVDZ-PP-new
description: N/A
elt: I
data:
IODINE
S   6
  1      2.449790E+03           4.190000E-04     
  2      3.598080E+02           2.240000E-03     
  3      1.440580E+01           3.972230E-01     
  4      9.076320E+00          -9.322490E-01     
  5      2.088100E+00           9.371380E-01     
  6      1.034980E+00           3.920860E-01     
S   6
  1      2.449790E+03           1.750000E-04     
  2      3.598080E+02           1.057000E-03     
  3      1.440580E+01           1.690000E-01     
  4      9.076320E+00          -4.217930E-01     
  5      2.088100E+00           6.388640E-01     
  6      1.034980E+00           3.201150E-01     
S   1
  1      3.162840E-01           1.0000000        
S   1
  1      1.217190E-01           1.0000000        
S   1
  1      4.200000E-02           1.0000000        
P   5
  1      1.953010E+01           5.893400E-02     
  2      1.108820E+01          -2.309300E-01     
  3      2.715630E+00           6.648010E-01     
  4      1.204300E+00           4.506730E-01     
  5      3.399450E-01           2.898000E-02     
P   5
  1      1.953010E+01          -1.883600E-02     
  2      1.108820E+01           8.000600E-02     
  3      2.715630E+00          -3.066520E-01     
  4      1.204300E+00          -1.475940E-01     
  5      3.399450E-01           6.075060E-01     
P   1
  1      1.108810E-01           1.0000000        
P   1
  1      3.380000E-02           1.0000000        
D   5
  1      4.547650E+01           4.266000E-03     
  2      1.319280E+01          -1.362500E-02     
  3      4.227410E+00           3.097560E-01     
  4      1.942800E+00           5.097720E-01     
  5      8.397710E-01           2.974610E-01     
D   1
  1      3.000000E-01           1.0000000        
D   1
  1      1.191000E-01           1.0000000        


name: aug-cc-pVDZ-PP_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVDZ-PP orbital basis sets
elt: Cu
data:
COPPER
S   1
  1     13.6151500              1.0000000        
S   1
  1      7.4436000              1.0000000        
S   1
  1      4.6986000              1.0000000        
S   1
  1      2.3742140              1.0000000        
S   1
  1      1.4483190              1.0000000        
S   1
  1      0.3468600              1.0000000        
P   1
  1     11.0923800              1.0000000        
P   1
  1      7.3506280              1.0000000        
P   1
  1      4.9315000              1.0000000        
P   1
  1      2.0277600              1.0000000        
P   1
  1      0.7878810              1.0000000        
P   1
  1      0.4312230              1.0000000        
D   1
  1     15.6885300              1.0000000        
D   1
  1      6.4603340              1.0000000        
D   1
  1      4.1723270              1.0000000        
D   1
  1      2.7920000              1.0000000        
D   1
  1      1.0688050              1.0000000        
D   1
  1      0.7114470              1.0000000        
F   1
  1     21.8908900              1.0000000        
F   1
  1      8.3307000              1.0000000        
F   1
  1      5.5693780              1.0000000        
F   1
  1      1.3523440              1.0000000        
F   1
  1      0.3976260              1.0000000        
G   1
  1     14.1683100              1.0000000        
G   1
  1      5.3687560              1.0000000        
G   1
  1      2.0874870              1.0000000        
G   1
  1      0.7558210              1.0000000        
H   1
  1      8.0312760              1.0000000        
H   1
  1      2.6281350              1.0000000        
I   1
  1      5.4472130              1.0000000        


name: aug-cc-pVDZ-PP_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVDZ-PP orbital basis sets
elt: Zn
data:
ZINC
S   1
  1     13.7001900              1.0000000        
S   1
  1      9.1444660              1.0000000        
S   1
  1      5.0733000              1.0000000        
S   1
  1      2.2237420              1.0000000        
S   1
  1      1.4850770              1.0000000        
S   1
  1      0.4181600              1.0000000        
P   1
  1     23.2625500              1.0000000        
P   1
  1     15.6736700              1.0000000        
P   1
  1      5.3705000              1.0000000        
P   1
  1      1.9247800              1.0000000        
P   1
  1      0.8462640              1.0000000        
P   1
  1      0.5357150              1.0000000        
D   1
  1     18.6133800              1.0000000        
D   1
  1      7.5009300              1.0000000        
D   1
  1      4.9823310              1.0000000        
D   1
  1      3.3188000              1.0000000        
D   1
  1      1.6151700              1.0000000        
D   1
  1      1.0748830              1.0000000        
F   1
  1     25.1327300              1.0000000        
F   1
  1      9.5199000              1.0000000        
F   1
  1      6.3711850              1.0000000        
F   1
  1      1.6204940              1.0000000        
F   1
  1      0.4510130              1.0000000        
G   1
  1     17.1636700              1.0000000        
G   1
  1      6.4469590              1.0000000        
G   1
  1      2.6776790              1.0000000        
G   1
  1      1.0182460              1.0000000        
H   1
  1      9.1262860              1.0000000        
H   1
  1      3.0970450              1.0000000        
I   1
  1      6.4053200              1.0000000        


name: aug-cc-pVDZ-PP_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVDZ-PP orbital basis sets
elt: Ag
data:
SILVER
S   1
  1     12.6392100              1.0000000        
S   1
  1      8.5539920              1.0000000        
S   1
  1      2.3985000              1.0000000        
S   1
  1      1.6093170              1.0000000        
S   1
  1      0.8911370              1.0000000        
S   1
  1      0.5995020              1.0000000        
P   1
  1     11.4697800              1.0000000        
P   1
  1      7.7147390              1.0000000        
P   1
  1      5.1799100              1.0000000        
P   1
  1      2.5852000              1.0000000        
P   1
  1      1.7497360              1.0000000        
P   1
  1      0.5269690              1.0000000        
D   1
  1     21.0014600              1.0000000        
D   1
  1      6.3441670              1.0000000        
D   1
  1      4.2406120              1.0000000        
D   1
  1      2.8365000              1.0000000        
D   1
  1      0.8301640              1.0000000        
D   1
  1      0.5536650              1.0000000        
F   1
  1     11.6594400              1.0000000        
F   1
  1      7.3985980              1.0000000        
F   1
  1      3.9751000              1.0000000        
F   1
  1      2.6532840              1.0000000        
F   1
  1      0.6631640              1.0000000        
G   1
  1      7.0187400              1.0000000        
G   1
  1      3.0883250              1.0000000        
G   1
  1      1.3945630              1.0000000        
G   1
  1      0.5833520              1.0000000        
H   1
  1      3.1015640              1.0000000        
H   1
  1      1.3194290              1.0000000        
I   1
  1      2.2667700              1.0000000        


name: aug-cc-pVDZ-PP_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVDZ-PP orbital basis sets
elt: Cd
data:
CADMIUM
S   1
  1     12.8693200              1.0000000        
S   1
  1      6.3258540              1.0000000        
S   1
  1      2.6738000              1.0000000        
S   1
  1      1.5123050              1.0000000        
S   1
  1      0.6946080              1.0000000        
S   1
  1      0.3427600              1.0000000        
P   1
  1     12.5717400              1.0000000        
P   1
  1      8.5174520              1.0000000        
P   1
  1      5.7467910              1.0000000        
P   1
  1      2.7157000              1.0000000        
P   1
  1      1.8560780              1.0000000        
P   1
  1      0.5213110              1.0000000        
D   1
  1     21.8321800              1.0000000        
D   1
  1      7.3798510              1.0000000        
D   1
  1      4.9417370              1.0000000        
D   1
  1      3.3125000              1.0000000        
D   1
  1      2.0469140              1.0000000        
D   1
  1      0.6528400              1.0000000        
F   1
  1     15.3772100              1.0000000        
F   1
  1      7.8405300              1.0000000        
F   1
  1      4.5765000              1.0000000        
F   1
  1      2.9481920              1.0000000        
F   1
  1      0.7731160              1.0000000        
G   1
  1      7.1320870              1.0000000        
G   1
  1      3.4520730              1.0000000        
G   1
  1      1.5944050              1.0000000        
G   1
  1      0.6885690              1.0000000        
H   1
  1      3.4499030              1.0000000        
H   1
  1      1.5154460              1.0000000        
I   1
  1      2.5575350              1.0000000        


name: aug-cc-pVDZ-PP_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVDZ-PP orbital basis sets
elt: Au
data:
GOLD
S   1
  1     15.0545900              1.0000000        
S   1
  1     10.0417500              1.0000000        
S   1
  1      4.7854040              1.0000000        
S   1
  1      2.0643000              1.0000000        
S   1
  1      1.2661230              1.0000000        
S   1
  1      0.8450710              1.0000000        
P   1
  1     27.2832900              1.0000000        
P   1
  1      9.0880680              1.0000000        
P   1
  1      6.0522510              1.0000000        
P   1
  1      2.2606000              1.0000000        
P   1
  1      1.5092490              1.0000000        
P   1
  1      0.7770210              1.0000000        
D   1
  1     10.1673500              1.0000000        
D   1
  1      6.8013230              1.0000000        
D   1
  1      4.5419460              1.0000000        
D   1
  1      2.0167000              1.0000000        
D   1
  1      1.3564320              1.0000000        
D   1
  1      0.5096930              1.0000000        
F   1
  1      7.3994110              1.0000000        
F   1
  1      4.6716510              1.0000000        
F   1
  1      3.1253190              1.0000000        
F   1
  1      2.0995000              1.0000000        
F   1
  1      0.5665260              1.0000000        
G   1
  1      4.4745740              1.0000000        
G   1
  1      2.9860180              1.0000000        
G   1
  1      1.3999910              1.0000000        
G   1
  1      0.5744710              1.0000000        
H   1
  1      2.9044630              1.0000000        
H   1
  1      1.2824050              1.0000000        
I   1
  1      1.7224630              1.0000000        


name: aug-cc-pVDZ-PP_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVDZ-PP orbital basis sets
elt: Hg
data:
MERCURY
S   1
  1     13.3739400              1.0000000        
S   1
  1      8.9239300              1.0000000        
S   1
  1      5.7967510              1.0000000        
S   1
  1      2.3359000              1.0000000        
S   1
  1      1.4314090              1.0000000        
S   1
  1      0.4273330              1.0000000        
P   1
  1     22.1153000              1.0000000        
P   1
  1     11.4831600              1.0000000        
P   1
  1      7.6630510              1.0000000        
P   1
  1      2.3585000              1.0000000        
P   1
  1      1.4580420              1.0000000        
P   1
  1      0.7486000              1.0000000        
D   1
  1     10.6795500              1.0000000        
D   1
  1      7.1339590              1.0000000        
D   1
  1      4.7504670              1.0000000        
D   1
  1      2.2228000              1.0000000        
D   1
  1      1.4854680              1.0000000        
D   1
  1      0.3945090              1.0000000        
F   1
  1      8.3062810              1.0000000        
F   1
  1      5.5539610              1.0000000        
F   1
  1      3.7121290              1.0000000        
F   1
  1      2.2727000              1.0000000        
F   1
  1      0.6559140              1.0000000        
G   1
  1      4.8929370              1.0000000        
G   1
  1      3.2679300              1.0000000        
G   1
  1      1.5760520              1.0000000        
G   1
  1      0.6621480              1.0000000        
H   1
  1      2.9810210              1.0000000        
H   1
  1      1.2624060              1.0000000        
I   1
  1      1.8808450              1.0000000        


name: aug-cc-pVDZ-RI diffuse
description: N/A
elt: H
data:
HYDROGEN
S   1
  1      0.11272018383          1.0000000        
P   1
  1      0.28586021512          1.0000000        
D   1
  1      0.30382076276          1.0000000        


name: aug-cc-pVDZ-RI diffuse
description: N/A
elt: He
data:
HELIUM
S   1
  1      0.33983194740          1.0000000        
P   1
  1      0.54428914669          1.0000000        


name: aug-cc-pVDZ-RI diffuse
description: N/A
elt: B
data:
BORON
S   1
  1      0.35662215781E-01            1.0000000        
P   1
  1      0.85272067267E-01            1.0000000        
D   1
  1      0.54313682527E-01            1.0000000        
F   1
  1      0.18476071951          1.0000000        


name: aug-cc-pVDZ-RI diffuse
description: N/A
elt: C
data:
CARBON
S   1
  1      0.73830101918E-01            1.0000000        
P   1
  1      0.12595256654          1.0000000        
D   1
  1      0.11021124893          1.0000000        
F   1
  1      0.31714624829          1.0000000        


name: aug-cc-pVDZ-RI diffuse
description: N/A
elt: N
data:
NITROGEN
S   1
  1      0.10361182811          1.0000000        
P   1
  1      0.16968199389          1.0000000        
D   1
  1      0.13349941560          1.0000000        
F   1
  1      0.41976031664          1.0000000        


name: aug-cc-pVDZ-RI diffuse
description: N/A
elt: O
data:
OXYGEN
S   1
  1      0.12179209480          1.0000000        
P   1
  1      0.21144297178          1.0000000        
D   1
  1      0.16644793680          1.0000000        
F   1
  1      0.58460963107          1.0000000        


name: aug-cc-pVDZ-RI diffuse
description: N/A
elt: F
data:
FLUORINE
S   1
  1      0.15533871454          1.0000000        
P   1
  1      0.27702638810          1.0000000        
D   1
  1      0.21064426872          1.0000000        
F   1
  1      0.80661320779          1.0000000        


name: aug-cc-pVDZ-RI diffuse
description: N/A
elt: Ne
data:
NEON
S   1
  1      0.37263473659          1.0000000        
P   1
  1      0.43097251378          1.0000000        
D   1
  1      0.55608927576          1.0000000        
F   1
  1      1.1649184234           1.0000000        


name: aug-cc-pVDZ-RI diffuse
description: N/A
elt: Al
data:
ALUMINUM
S   1
  1      0.59858014135E-01            1.0000000        
P   1
  1      0.63560035462E-01            1.0000000        
D   1
  1      0.97747467115E-01            1.0000000        
F   1
  1      0.10610172981          1.0000000        


name: aug-cc-pVDZ-RI diffuse
description: N/A
elt: Si
data:
SILICON
S   1
  1      0.76783598838E-01            1.0000000        
P   1
  1      0.86771311640E-01            1.0000000        
D   1
  1      0.11290226128          1.0000000        
F   1
  1      0.17204670462          1.0000000        


name: aug-cc-pVDZ-RI diffuse
description: N/A
elt: P
data:
PHOSPHOROUS
S   1
  1      0.60418510264E-01            1.0000000        
P   1
  1      0.11083085601          1.0000000        
D   1
  1      0.85694936159E-01            1.0000000        
F   1
  1      0.20573460411          1.0000000        


name: aug-cc-pVDZ-RI diffuse
description: N/A
elt: S
data:
SULFUR
S   1
  1      0.69155065331E-01            1.0000000        
P   1
  1      0.13846038768          1.0000000        
D   1
  1      0.10800339610          1.0000000        
F   1
  1      0.28690347409          1.0000000        


name: aug-cc-pVDZ-RI diffuse
description: N/A
elt: Cl
data:
CHLORINE
S   1
  1      0.80788958587E-01            1.0000000        
P   1
  1      0.17291222335          1.0000000        
D   1
  1      0.13829074536          1.0000000        
F   1
  1      0.37253684337          1.0000000        


name: aug-cc-pVDZ-RI diffuse
description: N/A
elt: Ar
data:
ARGON
S   1
  1      0.11956827319          1.0000000        
P   1
  1      0.10654969265          1.0000000        
D   1
  1      0.28062262131          1.0000000        
F   1
  1      0.48841517019          1.0000000        


name: aug-cc-pVDZ-RI diffuse
description: N/A
elt: Ga
data:
GALLIUM
S   1
  1      0.42787987823E-01            1.0000000        
P   1
  1      0.49503218073E-01            1.0000000        
D   1
  1      0.83424345303E-01            1.0000000        
F   1
  1      0.10237828970          1.0000000        


name: aug-cc-pVDZ-RI diffuse
description: N/A
elt: Ge
data:
GERMANIUM
S   1
  1      0.74977775893E-01            1.0000000        
P   1
  1      0.55353778000E-01            1.0000000        
D   1
  1      0.11152906742          1.0000000        
F   1
  1      0.14405212532          1.0000000        


name: aug-cc-pVDZ-RI diffuse
description: N/A
elt: As
data:
ARSENIC
S   1
  1      0.51217511485E-01            1.0000000        
P   1
  1      0.31166940000E-01            1.0000000        
D   1
  1      0.73433389109E-01            1.0000000        
F   1
  1      0.19050122204          1.0000000        


name: aug-cc-pVDZ-RI diffuse
description: N/A
elt: Se
data:
SELENIUM
S   1
  1      0.63758414781E-01            1.0000000        
P   1
  1      0.81948012276E-01            1.0000000        
D   1
  1      0.92971654373E-01            1.0000000        
F   1
  1      0.23757167496          1.0000000        


name: aug-cc-pVDZ-RI diffuse
description: N/A
elt: Br
data:
BROMINE
S   1
  1      0.78672630386E-01            1.0000000        
P   1
  1      0.91715714381E-01            1.0000000        
D   1
  1      0.11443421028          1.0000000        
F   1
  1      0.30991201835          1.0000000        


name: aug-cc-pVDZ-RI diffuse
description: N/A
elt: Kr
data:
KRYPTON
S   1
  1      0.70776344832E-01            1.0000000        
P   1
  1      0.95855618171E-01            1.0000000        
D   1
  1      0.17099365329          1.0000000        
F   1
  1      0.41522453822          1.0000000        


name: aug-cc-pVDZ_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVnZ orbital basis sets
elt: H
data:
HYDROGEN
S   1
  1      1.3200360              1.0000000        
S   1
  1      0.2865400              1.0000000        
S   1
  1      0.0813940              1.0000000        
P   1
  1      2.6671610              1.0000000        
P   1
  1      1.2510750              1.0000000        
P   1
  1      0.2732020              1.0000000        
D   1
  1      2.6047300              1.0000000        
D   1
  1      0.7576340              1.0000000        


name: aug-cc-pVDZ_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVnZ orbital basis sets
elt: He
data:
HELIUM
S   1
  1      2.0903700              1.0000000        
S   1
  1      1.3972820              1.0000000        
S   1
  1      0.1987340              1.0000000        
P   1
  1      9.3168610              1.0000000        
P   1
  1      4.0686780              1.0000000        
P   1
  1      0.3995190              1.0000000        
D   1
  1      3.1497420              1.0000000        
D   1
  1      0.8377990              1.0000000        


name: aug-cc-pVDZ_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVnZ orbital basis sets
elt: B
data:
BORON
S   1
  1      4.1926190              1.0000000        
S   1
  1      1.1382240              1.0000000        
S   1
  1      0.3090080              1.0000000        
S   1
  1      0.0565720              1.0000000        
P   1
  1      1.3540440              1.0000000        
P   1
  1      0.6503250              1.0000000        
P   1
  1      0.3123400              1.0000000        
P   1
  1      0.1500120              1.0000000        
P   1
  1      0.0502960              1.0000000        
D   1
  1      3.7786290              1.0000000        
D   1
  1      1.4068910              1.0000000        
D   1
  1      0.5238250              1.0000000        
D   1
  1      0.2281040              1.0000000        
F   1
  1      1.6799280              1.0000000        
F   1
  1      0.5801500              1.0000000        
F   1
  1      0.1991350              1.0000000        
G   1
  1      0.6245050              1.0000000        


name: aug-cc-pVDZ_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVnZ orbital basis sets
elt: C
data:
CARBON
S   1
  1      6.5475630              1.0000000        
S   1
  1      1.8077410              1.0000000        
S   1
  1      0.4991060              1.0000000        
S   1
  1      0.0736010              1.0000000        
P   1
  1      2.1536590              1.0000000        
P   1
  1      1.0186560              1.0000000        
P   1
  1      0.4818130              1.0000000        
P   1
  1      0.2278920              1.0000000        
P   1
  1      0.0952950              1.0000000        
D   1
  1      8.1076690              1.0000000        
D   1
  1      3.3473200              1.0000000        
D   1
  1      1.3819690              1.0000000        
D   1
  1      0.3330560              1.0000000        
F   1
  1      2.6527500              1.0000000        
F   1
  1      0.8918210              1.0000000        
F   1
  1      0.3018960              1.0000000        
G   1
  1      0.9734890              1.0000000        


name: aug-cc-pVDZ_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVnZ orbital basis sets
elt: N
data:
NITROGEN
S   1
  1      9.6745220              1.0000000        
S   1
  1      2.6513720              1.0000000        
S   1
  1      0.7266280              1.0000000        
S   1
  1      0.0914490              1.0000000        
P   1
  1      3.0159420              1.0000000        
P   1
  1      1.4315730              1.0000000        
P   1
  1      0.6795230              1.0000000        
P   1
  1      0.3225480              1.0000000        
P   1
  1      0.1151830              1.0000000        
D   1
  1      6.9732270              1.0000000        
D   1
  1      3.5880660              1.0000000        
D   1
  1      1.8462350              1.0000000        
D   1
  1      0.4224640              1.0000000        
F   1
  1      4.0928370              1.0000000        
F   1
  1      1.3976810              1.0000000        
F   1
  1      0.5109860              1.0000000        
G   1
  1      1.4841770              1.0000000        


name: aug-cc-pVDZ_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVnZ orbital basis sets
elt: O
data:
OXYGEN
S   1
  1     10.4831820              1.0000000        
S   1
  1      3.0892910              1.0000000        
S   1
  1      0.9103840              1.0000000        
S   1
  1      0.1177850              1.0000000        
P   1
  1      4.1809710              1.0000000        
P   1
  1      1.9317780              1.0000000        
P   1
  1      0.8925590              1.0000000        
P   1
  1      0.4123990              1.0000000        
P   1
  1      0.1022820              1.0000000        
D   1
  1     12.7421470              1.0000000        
D   1
  1      6.7100630              1.0000000        
D   1
  1      3.5335450              1.0000000        
D   1
  1      0.5339370              1.0000000        
F   1
  1      4.8027300              1.0000000        
F   1
  1      1.5579220              1.0000000        
F   1
  1      0.5075660              1.0000000        
G   1
  1      1.7631420              1.0000000        


name: aug-cc-pVDZ_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVnZ orbital basis sets
elt: F
data:
FLUORINE
S   1
  1     14.4511130              1.0000000        
S   1
  1      4.2268530              1.0000000        
S   1
  1      1.2363260              1.0000000        
S   1
  1      0.1465130              1.0000000        
P   1
  1      4.8372210              1.0000000        
P   1
  1      2.2912080              1.0000000        
P   1
  1      1.0852580              1.0000000        
P   1
  1      0.5140460              1.0000000        
P   1
  1      0.1269280              1.0000000        
D   1
  1     15.8745470              1.0000000        
D   1
  1      7.2781880              1.0000000        
D   1
  1      3.3369150              1.0000000        
D   1
  1      1.0954380              1.0000000        
F   1
  1      6.1628770              1.0000000        
F   1
  1      1.9800570              1.0000000        
F   1
  1      0.6390790              1.0000000        
G   1
  1      2.2741130              1.0000000        


name: aug-cc-pVDZ_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVnZ orbital basis sets
elt: Ne
data:
NEON
S   1
  1     21.9574570              1.0000000        
S   1
  1      6.0461550              1.0000000        
S   1
  1      1.6648550              1.0000000        
S   1
  1      0.1819800              1.0000000        
P   1
  1      5.7247220              1.0000000        
P   1
  1      2.7487190              1.0000000        
P   1
  1      1.3197940              1.0000000        
P   1
  1      0.6336980              1.0000000        
P   1
  1      0.1858160              1.0000000        
D   1
  1     20.9638000              1.0000000        
D   1
  1     10.5525080              1.0000000        
D   1
  1      5.3117950              1.0000000        
D   1
  1      1.4772600              1.0000000        
F   1
  1      8.2035020              1.0000000        
F   1
  1      2.7058960              1.0000000        
F   1
  1      0.9131770              1.0000000        
G   1
  1      3.0002260              1.0000000        


name: aug-cc-pVDZ_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVnZ orbital basis sets
elt: Al
data:
ALUMINUM
S   1
  1      3.9673650              1.0000000        
S   1
  1      1.2994240              1.0000000        
S   1
  1      0.4255980              1.0000000        
S   1
  1      0.1393950              1.0000000        
S   1
  1      0.0402980              1.0000000        
P   1
  1      5.9229000              1.0000000        
P   1
  1      1.4784180              1.0000000        
P   1
  1      0.3690290              1.0000000        
P   1
  1      0.0921130              1.0000000        
P   1
  1      0.0276340              1.0000000        
D   1
  1      5.9949350              1.0000000        
D   1
  1      3.0500690              1.0000000        
D   1
  1      0.4256450              1.0000000        
D   1
  1      0.0826170              1.0000000        
F   1
  1      0.8542500              1.0000000        
F   1
  1      0.3447660              1.0000000        
F   1
  1      0.1161210              1.0000000        
G   1
  1      0.3282010              1.0000000        


name: aug-cc-pVDZ_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVnZ orbital basis sets
elt: Si
data:
SILICON
S   1
  1      6.2072530              1.0000000        
S   1
  1      1.8198180              1.0000000        
S   1
  1      0.5335270              1.0000000        
S   1
  1      0.1564170              1.0000000        
S   1
  1      0.0562170              1.0000000        
P   1
  1      6.8941680              1.0000000        
P   1
  1      1.8814170              1.0000000        
P   1
  1      0.5134380              1.0000000        
P   1
  1      0.1401170              1.0000000        
P   1
  1      0.0500890              1.0000000        
D   1
  1     10.1970390              1.0000000        
D   1
  1      5.5203810              1.0000000        
D   1
  1      0.6207540              1.0000000        
D   1
  1      0.1343330              1.0000000        
F   1
  1      1.6385930              1.0000000        
F   1
  1      0.5116880              1.0000000        
F   1
  1      0.1826690              1.0000000        
G   1
  1      0.4501800              1.0000000        


name: aug-cc-pVDZ_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVnZ orbital basis sets
elt: P
data:
PHOSPHOROUS
S   1
  1      7.1364740              1.0000000        
S   1
  1      2.2234140              1.0000000        
S   1
  1      0.6927190              1.0000000        
S   1
  1      0.2158210              1.0000000        
S   1
  1      0.0740620              1.0000000        
P   1
  1      8.0477160              1.0000000        
P   1
  1      2.3068730              1.0000000        
P   1
  1      0.6612640              1.0000000        
P   1
  1      0.1895510              1.0000000        
P   1
  1      0.0557330              1.0000000        
D   1
  1     12.3056350              1.0000000        
D   1
  1      6.3845350              1.0000000        
D   1
  1      0.7746060              1.0000000        
D   1
  1      0.1854590              1.0000000        
F   1
  1      3.6145670              1.0000000        
F   1
  1      0.6779060              1.0000000        
F   1
  1      0.2635090              1.0000000        
G   1
  1      0.5961990              1.0000000        


name: aug-cc-pVDZ_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVnZ orbital basis sets
elt: S
data:
SULFUR
S   1
  1      8.4828690              1.0000000        
S   1
  1      2.6380230              1.0000000        
S   1
  1      0.8203790              1.0000000        
S   1
  1      0.2551230              1.0000000        
S   1
  1      0.0872200              1.0000000        
P   1
  1      9.1016040              1.0000000        
P   1
  1      2.6823510              1.0000000        
P   1
  1      0.7905210              1.0000000        
P   1
  1      0.2329760              1.0000000        
P   1
  1      0.0738150              1.0000000        
D   1
  1     17.4029820              1.0000000        
D   1
  1      7.1745500              1.0000000        
D   1
  1      0.9285230              1.0000000        
D   1
  1      0.3008210              1.0000000        
F   1
  1      5.0466780              1.0000000        
F   1
  1      0.8342980              1.0000000        
F   1
  1      0.3182260              1.0000000        
G   1
  1      0.7469600              1.0000000        


name: aug-cc-pVDZ_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVnZ orbital basis sets
elt: Cl
data:
CHLORINE
S   1
  1     10.3367590              1.0000000        
S   1
  1      3.2068640              1.0000000        
S   1
  1      0.9948940              1.0000000        
S   1
  1      0.3086550              1.0000000        
S   1
  1      0.1107190              1.0000000        
P   1
  1     10.1006700              1.0000000        
P   1
  1      3.0713090              1.0000000        
P   1
  1      0.9338930              1.0000000        
P   1
  1      0.2839690              1.0000000        
P   1
  1      0.0810640              1.0000000        
D   1
  1     18.7088300              1.0000000        
D   1
  1     11.6169920              1.0000000        
D   1
  1      1.1387370              1.0000000        
D   1
  1      0.3397210              1.0000000        
F   1
  1      6.5104370              1.0000000        
F   1
  1      1.0193730              1.0000000        
F   1
  1      0.3884980              1.0000000        
G   1
  1      0.9126230              1.0000000        


name: aug-cc-pVDZ_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVnZ orbital basis sets
elt: Ar
data:
ARGON
S   1
  1     10.6602660              1.0000000        
S   1
  1      3.4076430              1.0000000        
S   1
  1      1.0892820              1.0000000        
S   1
  1      0.3481980              1.0000000        
S   1
  1      0.1063090              1.0000000        
P   1
  1     11.6954750              1.0000000        
P   1
  1      3.6164960              1.0000000        
P   1
  1      1.1182990              1.0000000        
P   1
  1      0.3458030              1.0000000        
P   1
  1      0.1154120              1.0000000        
D   1
  1     24.2974700              1.0000000        
D   1
  1     11.3177750              1.0000000        
D   1
  1      1.4999190              1.0000000        
D   1
  1      0.3918570              1.0000000        
F   1
  1      7.5698470              1.0000000        
F   1
  1      1.2793910              1.0000000        
F   1
  1      0.5068880              1.0000000        
G   1
  1      1.1295440              1.0000000        


name: aug-cc-pVQZ
description: VQZ3PD Valence Quadruple Zeta + Polarization + Diffuse
elt: H
data:
HYDROGEN
S   3
  1     82.6400000              0.0020060        
  2     12.4100000              0.0153430        
  3      2.8240000              0.0755790        
S   1
  1      0.7977000              1.0000000        
S   1
  1      0.2581000              1.0000000        
S   1
  1      0.0898900              1.0000000        
S   1
  1      0.0236300              1.0000000        
P   1
  1      2.2920000              1.0000000        
P   1
  1      0.8380000              1.0000000        
P   1
  1      0.2920000              1.0000000        
P   1
  1      0.0848000              1.0000000        
D   1
  1      2.0620000              1.0000000        
D   1
  1      0.6620000              1.0000000        
D   1
  1      0.1900000              1.0000000        
F   1
  1      1.3970000              1.0000000        
F   1
  1      0.3600000              1.0000000        


name: aug-cc-pVQZ
description: VQZ3PD Valence Quadruple Zeta + Polarization + Diffuse
elt: He
data:
HELIUM
S   4
  1    528.5000000              0.0009400        
  2     79.3100000              0.0072140        
  3     18.0500000              0.0359750        
  4      5.0850000              0.1277820        
S   1
  1      1.6090000              1.0000000        
S   1
  1      0.5363000              1.0000000        
S   1
  1      0.1833000              1.0000000        
S   1
  1      0.0481900              1.0000000        
P   1
  1      5.9940000              1.0000000        
P   1
  1      1.7450000              1.0000000        
P   1
  1      0.5600000              1.0000000        
P   1
  1      0.1626000              1.0000000        
D   1
  1      4.2990000              1.0000000        
D   1
  1      1.2230000              1.0000000        
D   1
  1      0.3510000              1.0000000        
F   1
  1      2.6800000              1.0000000        
F   1
  1      0.6906000              1.0000000        


name: aug-cc-pVQZ
description: VQZ3PD Valence Quadruple Zeta + Polarization + Diffuse
elt: Li
data:
LITHIUM
S   9
  1   6601.0000000              0.0001170        
  2    989.7000000              0.0009110        
  3    225.7000000              0.0047280        
  4     64.2900000              0.0191970        
  5     21.1800000              0.0630470        
  6      7.7240000              0.1632080        
  7      3.0030000              0.3148270        
  8      1.2120000              0.3939360        
  9      0.4930000              0.1969180        
S   9
  1   6601.0000000             -0.0000180        
  2    989.7000000             -0.0001420        
  3    225.7000000             -0.0007410        
  4     64.2900000             -0.0030200        
  5     21.1800000             -0.0101230        
  6      7.7240000             -0.0270940        
  7      3.0030000             -0.0573590        
  8      1.2120000             -0.0938950        
  9      0.4930000             -0.1210910        
S   1
  1      0.0951500              1.0000000        
S   1
  1      0.0479100              1.0000000        
S   1
  1      0.0222000              1.0000000        
S   1
  1      0.0063600              1.0000000        
P   3
  1      6.2500000              0.0033880        
  2      1.3700000              0.0193160        
  3      0.3672000              0.0791040        
P   1
  1      0.1192000              1.0000000        
P   1
  1      0.0447400              1.0000000        
P   1
  1      0.0179500              1.0000000        
P   1
  1      0.0075600              1.0000000        
D   1
  1      0.3440000              1.0000000        
D   1
  1      0.1530000              1.0000000        
D   1
  1      0.0680000              1.0000000        
D   1
  1      0.0266000              1.0000000        
F   1
  1      0.2460000              1.0000000        
F   1
  1      0.1292000              1.0000000        
F   1
  1      0.0552000              1.0000000        
G   1
  1      0.2380000              1.0000000        
G   1
  1      0.1050000              1.0000000        


name: aug-cc-pVQZ
description: VQZ3PD Valence Quadruple Zeta + Polarization + Diffuse
elt: Be
data:
BERYLLIUM
S   9
  1  14630.0000000              0.0000920        
  2   2191.0000000              0.0007130        
  3    498.2000000              0.0037350        
  4    140.9000000              0.0154680        
  5     45.8600000              0.0528740        
  6     16.4700000              0.1456940        
  7      6.3190000              0.3026810        
  8      2.5350000              0.4049360        
  9      1.0350000              0.2223870        
S   9
  1  14630.0000000             -0.0000170        
  2   2191.0000000             -0.0001300        
  3    498.2000000             -0.0006790        
  4    140.9000000             -0.0028570        
  5     45.8600000             -0.0098130        
  6     16.4700000             -0.0286090        
  7      6.3190000             -0.0637600        
  8      2.5350000             -0.1172310        
  9      1.0350000             -0.1212020        
S   1
  1      0.2528000              1.0000000        
S   1
  1      0.1052000              1.0000000        
S   1
  1      0.0426100              1.0000000        
S   1
  1      0.0143900              1.0000000        
P   3
  1     14.0300000              0.0040990        
  2      3.1680000              0.0256260        
  3      0.9024000              0.1037680        
P   1
  1      0.3036000              1.0000000        
P   1
  1      0.1130000              1.0000000        
P   1
  1      0.0428600              1.0000000        
P   1
  1      0.0065000              1.0000000        
D   1
  1      1.0720000              1.0000000        
D   1
  1      0.4410000              1.0000000        
D   1
  1      0.1811000              1.0000000        
D   1
  1      0.0554000              1.0000000        
F   1
  1      0.4810000              1.0000000        
F   1
  1      0.2550000              1.0000000        
F   1
  1      0.0930000              1.0000000        
G   1
  1      0.4150000              1.0000000        
G   1
  1      0.1834000              1.0000000        


name: aug-cc-pVQZ
description: VQZ3PD Valence Quadruple Zeta + Polarization + Diffuse
elt: B
data:
BORON
S   9
  1  23870.0000000              0.0000880        
  2   3575.0000000              0.0006870        
  3    812.8000000              0.0036000        
  4    229.7000000              0.0149490        
  5     74.6900000              0.0514350        
  6     26.8100000              0.1433020        
  7     10.3200000              0.3009350        
  8      4.1780000              0.4035260        
  9      1.7270000              0.2253400        
S   9
  1  23870.0000000             -0.0000180        
  2   3575.0000000             -0.0001390        
  3    812.8000000             -0.0007250        
  4    229.7000000             -0.0030630        
  5     74.6900000             -0.0105810        
  6     26.8100000             -0.0313650        
  7     10.3200000             -0.0710120        
  8      4.1780000             -0.1321030        
  9      1.7270000             -0.1230720        
S   1
  1      0.4704000              1.0000000        
S   1
  1      0.1896000              1.0000000        
S   1
  1      0.0739400              1.0000000        
S   1
  1      0.0272100              1.0000000        
P   3
  1     22.2600000              0.0050950        
  2      5.0580000              0.0332060        
  3      1.4870000              0.1323140        
P   1
  1      0.5071000              1.0000000        
P   1
  1      0.1812000              1.0000000        
P   1
  1      0.0646300              1.0000000        
P   1
  1      0.0187800              1.0000000        
D   1
  1      1.1100000              1.0000000        
D   1
  1      0.4020000              1.0000000        
D   1
  1      0.1450000              1.0000000        
D   1
  1      0.0466000              1.0000000        
F   1
  1      0.8820000              1.0000000        
F   1
  1      0.3110000              1.0000000        
F   1
  1      0.1130000              1.0000000        
G   1
  1      0.6730000              1.0000000        
G   1
  1      0.2730000              1.0000000        


name: aug-cc-pVQZ
description: VQZ3PD Valence Quadruple Zeta + Polarization + Diffuse
elt: C
data:
CARBON
S   9
  1  33980.0000000              0.0000910        
  2   5089.0000000              0.0007040        
  3   1157.0000000              0.0036930        
  4    326.6000000              0.0153600        
  5    106.1000000              0.0529290        
  6     38.1100000              0.1470430        
  7     14.7500000              0.3056310        
  8      6.0350000              0.3993450        
  9      2.5300000              0.2170510        
S   9
  1  33980.0000000             -0.0000190        
  2   5089.0000000             -0.0001510        
  3   1157.0000000             -0.0007850        
  4    326.6000000             -0.0033240        
  5    106.1000000             -0.0115120        
  6     38.1100000             -0.0341600        
  7     14.7500000             -0.0771730        
  8      6.0350000             -0.1414930        
  9      2.5300000             -0.1180190        
S   1
  1      0.7355000              1.0000000        
S   1
  1      0.2905000              1.0000000        
S   1
  1      0.1111000              1.0000000        
S   1
  1      0.0414500              1.0000000        
P   3
  1     34.5100000              0.0053780        
  2      7.9150000              0.0361320        
  3      2.3680000              0.1424930        
P   1
  1      0.8132000              1.0000000        
P   1
  1      0.2890000              1.0000000        
P   1
  1      0.1007000              1.0000000        
P   1
  1      0.0321800              1.0000000        
D   1
  1      1.8480000              1.0000000        
D   1
  1      0.6490000              1.0000000        
D   1
  1      0.2280000              1.0000000        
D   1
  1      0.0766000              1.0000000        
F   1
  1      1.4190000              1.0000000        
F   1
  1      0.4850000              1.0000000        
F   1
  1      0.1870000              1.0000000        
G   1
  1      1.0110000              1.0000000        
G   1
  1      0.4240000              1.0000000        


name: aug-cc-pVQZ
description: VQZ3PD Valence Quadruple Zeta + Polarization + Diffuse
elt: N
data:
NITROGEN
S   9
  1  45840.0000000              0.0000920        
  2   6868.0000000              0.0007170        
  3   1563.0000000              0.0037490        
  4    442.4000000              0.0155320        
  5    144.3000000              0.0531460        
  6     52.1800000              0.1467870        
  7     20.3400000              0.3046630        
  8      8.3810000              0.3976840        
  9      3.5290000              0.2176410        
S   9
  1  45840.0000000             -0.0000200        
  2   6868.0000000             -0.0001590        
  3   1563.0000000             -0.0008240        
  4    442.4000000             -0.0034780        
  5    144.3000000             -0.0119660        
  6     52.1800000             -0.0353880        
  7     20.3400000             -0.0800770        
  8      8.3810000             -0.1467220        
  9      3.5290000             -0.1163600        
S   1
  1      1.0540000              1.0000000        
S   1
  1      0.4118000              1.0000000        
S   1
  1      0.1552000              1.0000000        
S   1
  1      0.0546400              1.0000000        
P   3
  1     49.3300000              0.0055330        
  2     11.3700000              0.0379620        
  3      3.4350000              0.1490280        
P   1
  1      1.1820000              1.0000000        
P   1
  1      0.4173000              1.0000000        
P   1
  1      0.1428000              1.0000000        
P   1
  1      0.0440200              1.0000000        
D   1
  1      2.8370000              1.0000000        
D   1
  1      0.9680000              1.0000000        
D   1
  1      0.3350000              1.0000000        
D   1
  1      0.1110000              1.0000000        
F   1
  1      2.0270000              1.0000000        
F   1
  1      0.6850000              1.0000000        
F   1
  1      0.2450000              1.0000000        
G   1
  1      1.4270000              1.0000000        
G   1
  1      0.5590000              1.0000000        


name: aug-cc-pVQZ
description: VQZ3PD Valence Quadruple Zeta + Polarization + Diffuse
elt: O
data:
OXYGEN
S   9
  1  61420.0000000              0.0000900        
  2   9199.0000000              0.0006980        
  3   2091.0000000              0.0036640        
  4    590.9000000              0.0152180        
  5    192.3000000              0.0524230        
  6     69.3200000              0.1459210        
  7     26.9700000              0.3052580        
  8     11.1000000              0.3985080        
  9      4.6820000              0.2169800        
S   9
  1  61420.0000000             -0.0000200        
  2   9199.0000000             -0.0001590        
  3   2091.0000000             -0.0008290        
  4    590.9000000             -0.0035080        
  5    192.3000000             -0.0121560        
  6     69.3200000             -0.0362610        
  7     26.9700000             -0.0829920        
  8     11.1000000             -0.1520900        
  9      4.6820000             -0.1153310        
S   1
  1      1.4280000              1.0000000        
S   1
  1      0.5547000              1.0000000        
S   1
  1      0.2067000              1.0000000        
S   1
  1      0.0695900              1.0000000        
P   3
  1     63.4200000              0.0060440        
  2     14.6600000              0.0417990        
  3      4.4590000              0.1611430        
P   1
  1      1.5310000              1.0000000        
P   1
  1      0.5302000              1.0000000        
P   1
  1      0.1750000              1.0000000        
P   1
  1      0.0534800              1.0000000        
D   1
  1      3.7750000              1.0000000        
D   1
  1      1.3000000              1.0000000        
D   1
  1      0.4440000              1.0000000        
D   1
  1      0.1540000              1.0000000        
F   1
  1      2.6660000              1.0000000        
F   1
  1      0.8590000              1.0000000        
F   1
  1      0.3240000              1.0000000        
G   1
  1      1.8460000              1.0000000        
G   1
  1      0.7140000              1.0000000        


name: aug-cc-pVQZ
description: VQZ3PD Valence Quadruple Zeta + Polarization + Diffuse
elt: F
data:
FLUORINE
S   9
  1  74530.0000000              0.0000950        
  2  11170.0000000              0.0007380        
  3   2543.0000000              0.0038580        
  4    721.0000000              0.0159260        
  5    235.9000000              0.0542890        
  6     85.6000000              0.1495130        
  7     33.5500000              0.3082520        
  8     13.9300000              0.3948530        
  9      5.9150000              0.2110310        
S   9
  1  74530.0000000             -0.0000220        
  2  11170.0000000             -0.0001720        
  3   2543.0000000             -0.0008910        
  4    721.0000000             -0.0037480        
  5    235.9000000             -0.0128620        
  6     85.6000000             -0.0380610        
  7     33.5500000             -0.0862390        
  8     13.9300000             -0.1558650        
  9      5.9150000             -0.1109140        
S   1
  1      1.8430000              1.0000000        
S   1
  1      0.7124000              1.0000000        
S   1
  1      0.2637000              1.0000000        
S   1
  1      0.0859400              1.0000000        
P   3
  1     80.3900000              0.0063470        
  2     18.6300000              0.0442040        
  3      5.6940000              0.1685140        
P   1
  1      1.9530000              1.0000000        
P   1
  1      0.6702000              1.0000000        
P   1
  1      0.2166000              1.0000000        
P   1
  1      0.0656800              1.0000000        
D   1
  1      5.0140000              1.0000000        
D   1
  1      1.7250000              1.0000000        
D   1
  1      0.5860000              1.0000000        
D   1
  1      0.2070000              1.0000000        
F   1
  1      3.5620000              1.0000000        
F   1
  1      1.1480000              1.0000000        
F   1
  1      0.4600000              1.0000000        
G   1
  1      2.3760000              1.0000000        
G   1
  1      0.9240000              1.0000000        


name: aug-cc-pVQZ
description: VQZ3PD Valence Quadruple Zeta + Polarization + Diffuse
elt: Ne
data:
NEON
S   9
  1  99920.0000000              0.0000860        
  2  14960.0000000              0.0006690        
  3   3399.0000000              0.0035180        
  4    958.9000000              0.0146670        
  5    311.2000000              0.0509620        
  6    111.7000000              0.1437440        
  7     43.3200000              0.3045620        
  8     17.8000000              0.4001050        
  9      7.5030000              0.2186440        
S   9
  1  99920.0000000             -0.0000200        
  2  14960.0000000             -0.0001580        
  3   3399.0000000             -0.0008240        
  4    958.9000000             -0.0035000        
  5    311.2000000             -0.0122330        
  6    111.7000000             -0.0370170        
  7     43.3200000             -0.0861130        
  8     17.8000000             -0.1583810        
  9      7.5030000             -0.1142880        
S   1
  1      2.3370000              1.0000000        
S   1
  1      0.9001000              1.0000000        
S   1
  1      0.3301000              1.0000000        
S   1
  1      0.1054000              1.0000000        
P   3
  1     99.6800000              0.0065660        
  2     23.1500000              0.0459790        
  3      7.1080000              0.1734190        
P   1
  1      2.4410000              1.0000000        
P   1
  1      0.8339000              1.0000000        
P   1
  1      0.2662000              1.0000000        
P   1
  1      0.0817800              1.0000000        
D   1
  1      6.4710000              1.0000000        
D   1
  1      2.2130000              1.0000000        
D   1
  1      0.7470000              1.0000000        
D   1
  1      0.2730000              1.0000000        
F   1
  1      4.6570000              1.0000000        
F   1
  1      1.5240000              1.0000000        
F   1
  1      0.6890000              1.0000000        
G   1
  1      2.9830000              1.0000000        
G   1
  1      1.2240000              1.0000000        


name: aug-cc-pVQZ
description: VQZ3PD Valence Quadruple Zeta + Polarization + Diffuse
elt: Na
data:
SODIUM
S   16
  1 1224000.0000000             0.478894D-05     
  2 183200.0000000              0.372395D-04     
  3  41700.0000000              0.195831D-03     
  4  11810.0000000              0.826698D-03     
  5   3853.0000000              0.300251D-02     
  6   1391.0000000              0.970310D-02     
  7    542.5000000              0.282337D-01     
  8    224.9000000              0.732058D-01     
  9     97.9300000              0.162897D+00     
 10     44.3100000              0.288708D+00     
 11     20.6500000              0.346829D+00     
 12      9.7290000              0.206865D+00     
 13      4.2280000              0.328009D-01     
 14      1.9690000             -0.647736D-03     
 15      0.8890000              0.145878D-02     
 16      0.3964000             -0.178346D-03     
S   16
  1 1224000.0000000            -0.116958D-05     
  2 183200.0000000             -0.909110D-05     
  3  41700.0000000             -0.478499D-04     
  4  11810.0000000             -0.201962D-03     
  5   3853.0000000             -0.735837D-03     
  6   1391.0000000             -0.238746D-02     
  7    542.5000000             -0.704969D-02     
  8    224.9000000             -0.187856D-01     
  9     97.9300000             -0.446153D-01     
 10     44.3100000             -0.897741D-01     
 11     20.6500000             -0.142940D+00     
 12      9.7290000             -0.124315D+00     
 13      4.2280000              0.999648D-01     
 14      1.9690000              0.417080D+00     
 15      0.8890000              0.475123D+00     
 16      0.3964000              0.163268D+00     
S   16
  1 1224000.0000000             0.175871D-06     
  2 183200.0000000              0.136594D-05     
  3  41700.0000000              0.719795D-05     
  4  11810.0000000              0.303349D-04     
  5   3853.0000000              0.110752D-03     
  6   1391.0000000              0.358596D-03     
  7    542.5000000              0.106272D-02     
  8    224.9000000              0.282687D-02     
  9     97.9300000              0.676742D-02     
 10     44.3100000              0.136480D-01     
 11     20.6500000              0.222814D-01     
 12      9.7290000              0.196011D-01     
 13      4.2280000             -0.167708D-01     
 14      1.9690000             -0.773734D-01     
 15      0.8890000             -0.113501D+00     
 16      0.3964000             -0.139130D+00     
S   1
  1      0.0699300              1.0000000        
S   1
  1      0.0328900              1.0000000        
S   1
  1      0.0161200              1.0000000        
S   1
  1      0.0050300              1.0000000        
P   9
  1    413.4000000              0.908196D-03     
  2     97.9800000              0.741773D-02     
  3     31.3700000              0.357464D-01     
  4     11.6200000              0.118520D+00     
  5      4.6710000              0.261403D+00     
  6      1.9180000              0.378395D+00     
  7      0.7775000              0.334632D+00     
  8      0.3013000              0.126844D+00     
  9      0.2275000             -0.147117D-01     
P   9
  1    413.4000000             -0.901741D-04     
  2     97.9800000             -0.739342D-03     
  3     31.3700000             -0.357309D-02     
  4     11.6200000             -0.120142D-01     
  5      4.6710000             -0.267178D-01     
  6      1.9180000             -0.392753D-01     
  7      0.7775000             -0.376083D-01     
  8      0.3013000             -0.433228D-01     
  9      0.2275000              0.518003D-01     
P   1
  1      0.0752700              1.0000000        
P   1
  1      0.0312600              1.0000000        
P   1
  1      0.0134200              1.0000000        
P   1
  1      0.0077200              1.0000000        
D   1
  1      0.1538000              1.0000000        
D   1
  1      0.0865000              1.0000000        
D   1
  1      0.0487000              1.0000000        
D   1
  1      0.0210000              1.0000000        
F   1
  1      0.1912000              1.0000000        
F   1
  1      0.1036000              1.0000000        
F   1
  1      0.0453000              1.0000000        
G   1
  1      0.1722000              1.0000000        
G   1
  1      0.0866000              1.0000000        


name: aug-cc-pVQZ
description: VQZ3PD Valence Quadruple Zeta + Polarization + Diffuse
elt: Mg
data:
MAGNESIUM
S   13
  1 327600.0000000              0.309608D-04     
  2  49050.0000000              0.240954D-03     
  3  11150.0000000              0.126660D-02     
  4   3152.0000000              0.533359D-02     
  5   1025.0000000              0.190770D-01     
  6    368.8000000              0.588058D-01     
  7    143.2000000              0.151454D+00     
  8     58.9600000              0.300716D+00     
  9     25.4000000              0.381149D+00     
 10     11.1500000              0.213584D+00     
 11      4.0040000              0.231210D-01     
 12      1.7010000             -0.230757D-02     
 13      0.7060000              0.128900D-02     
S   13
  1 327600.0000000             -0.783173D-05     
  2  49050.0000000             -0.607935D-04     
  3  11150.0000000             -0.321197D-03     
  4   3152.0000000             -0.134955D-02     
  5   1025.0000000             -0.490570D-02     
  6    368.8000000             -0.153561D-01     
  7    143.2000000             -0.423409D-01     
  8     58.9600000             -0.940603D-01     
  9     25.4000000             -0.163425D+00     
 10     11.1500000             -0.124754D+00     
 11      4.0040000              0.235623D+00     
 12      1.7010000              0.577563D+00     
 13      0.7060000              0.335232D+00     
S   13
  1 327600.0000000              0.150908D-05     
  2  49050.0000000              0.117134D-04     
  3  11150.0000000              0.618980D-04     
  4   3152.0000000              0.260088D-03     
  5   1025.0000000              0.946218D-03     
  6    368.8000000              0.296595D-02     
  7    143.2000000              0.821245D-02     
  8     58.9600000              0.183977D-01     
  9     25.4000000              0.326657D-01     
 10     11.1500000              0.257315D-01     
 11      4.0040000             -0.535351D-01     
 12      1.7010000             -0.156895D+00     
 13      0.7060000             -0.206659D+00     
S   1
  1      0.1410000              1.0000000        
S   1
  1      0.0680800              1.0000000        
S   1
  1      0.0306300              1.0000000        
S   1
  1      0.0123900              1.0000000        
P   9
  1    539.6000000              0.833969D-03     
  2    127.9000000              0.689215D-02     
  3     41.0200000              0.337874D-01     
  4     15.2500000              0.114401D+00     
  5      6.1660000              0.259514D+00     
  6      2.5610000              0.385095D+00     
  7      1.0600000              0.335373D+00     
  8      0.4176000              0.110641D+00     
  9      0.2690000             -0.121315D-01     
P   9
  1    539.6000000             -0.132076D-03     
  2    127.9000000             -0.109538D-02     
  3     41.0200000             -0.539495D-02     
  4     15.2500000             -0.185572D-01     
  5      6.1660000             -0.427375D-01     
  6      2.5610000             -0.647684D-01     
  7      1.0600000             -0.627818D-01     
  8      0.4176000             -0.244912D-01     
  9      0.2690000              0.104761D+00     
P   1
  1      0.1223000              1.0000000        
P   1
  1      0.0547600              1.0000000        
P   1
  1      0.0238800              1.0000000        
P   1
  1      0.0070600              1.0000000        
D   1
  1      0.1060000              1.0000000        
D   1
  1      0.1944000              1.0000000        
D   1
  1      0.3570000              1.0000000        
D   1
  1      0.0382000              1.0000000        
F   1
  1      0.1810000              1.0000000        
F   1
  1      0.3590000              1.0000000        
F   1
  1      0.0700000              1.0000000        
G   1
  1      0.3070000              1.0000000        
G   1
  1      0.1480000              1.0000000        


name: aug-cc-pVQZ
description: VQZ3PD Valence Quadruple Zeta + Polarization + Diffuse
elt: Al
data:
ALUMINUM
S   13
  1 419600.0000000              0.278219D-04     
  2  62830.0000000              0.216330D-03     
  3  14290.0000000              0.113754D-02     
  4   4038.0000000              0.479635D-02     
  5   1312.0000000              0.172389D-01     
  6    470.5000000              0.538066D-01     
  7    181.8000000              0.141326D+00     
  8     74.4600000              0.289268D+00     
  9     31.9000000              0.384825D+00     
 10     13.9600000              0.232852D+00     
 11      5.1800000              0.293330D-01     
 12      2.2650000             -0.300574D-02     
 13      0.9664000              0.166673D-02     
S   13
  1 419600.0000000             -0.723754D-05     
  2  62830.0000000             -0.561733D-04     
  3  14290.0000000             -0.296528D-03     
  4   4038.0000000             -0.124913D-02     
  5   1312.0000000             -0.455101D-02     
  6    470.5000000             -0.144393D-01     
  7    181.8000000             -0.403464D-01     
  8     74.4600000             -0.922618D-01     
  9     31.9000000             -0.164510D+00     
 10     13.9600000             -0.141296D+00     
 11      5.1800000              0.195365D+00     
 12      2.2650000              0.572475D+00     
 13      0.9664000              0.374041D+00     
S   13
  1 419600.0000000              0.167150D-05     
  2  62830.0000000              0.129641D-04     
  3  14290.0000000              0.685101D-04     
  4   4038.0000000              0.288274D-03     
  5   1312.0000000              0.105276D-02     
  6    470.5000000              0.333878D-02     
  7    181.8000000              0.939217D-02     
  8     74.4600000              0.216047D-01     
  9     31.9000000              0.395873D-01     
 10     13.9600000              0.349180D-01     
 11      5.1800000             -0.528415D-01     
 12      2.2650000             -0.191878D+00     
 13      0.9664000             -0.254115D+00     
S   1
  1      0.2447000              1.0000000        
S   1
  1      0.1184000              1.0000000        
S   1
  1      0.0502100              1.0000000        
S   1
  1      0.0183000              1.0000000        
P   8
  1    891.3000000              0.491755D-03     
  2    211.3000000              0.415843D-02     
  3     68.2800000              0.212538D-01     
  4     25.7000000              0.764058D-01     
  5     10.6300000              0.194277D+00     
  6      4.6020000              0.334428D+00     
  7      2.0150000              0.375026D+00     
  8      0.8706000              0.204041D+00     
P   8
  1    891.3000000             -0.888695D-04     
  2    211.3000000             -0.745823D-03     
  3     68.2800000             -0.387025D-02     
  4     25.7000000             -0.139350D-01     
  5     10.6300000             -0.366860D-01     
  6      4.6020000             -0.627797D-01     
  7      2.0150000             -0.789602D-01     
  8      0.8706000             -0.288589D-01     
P   1
  1      0.2972000              1.0000000        
P   1
  1      0.1100000              1.0000000        
P   1
  1      0.0398900              1.0000000        
P   1
  1      0.0121000              1.0000000        
D   1
  1      0.0804000              1.0000000        
D   1
  1      0.1990000              1.0000000        
D   1
  1      0.4940000              1.0000000        
D   1
  1      0.0282000              1.0000000        
F   1
  1      0.1540000              1.0000000        
F   1
  1      0.4010000              1.0000000        
F   1
  1      0.0582000              1.0000000        
G   1
  1      0.3570000              1.0000000        
G   1
  1      0.1530000              1.0000000        


name: aug-cc-pVQZ
description: VQZ3PD Valence Quadruple Zeta + Polarization + Diffuse
elt: Si
data:
SILICON
S   13
  1 513000.0000000              0.260920D-04     
  2  76820.0000000              0.202905D-03     
  3  17470.0000000              0.106715D-02     
  4   4935.0000000              0.450597D-02     
  5   1602.0000000              0.162359D-01     
  6    574.1000000              0.508913D-01     
  7    221.5000000              0.135155D+00     
  8     90.5400000              0.281292D+00     
  9     38.7400000              0.385336D+00     
 10     16.9500000              0.245651D+00     
 11      6.4520000              0.343145D-01     
 12      2.8740000             -0.334884D-02     
 13      1.2500000              0.187625D-02     
S   13
  1 513000.0000000             -0.694880D-05     
  2  76820.0000000             -0.539641D-04     
  3  17470.0000000             -0.284716D-03     
  4   4935.0000000             -0.120203D-02     
  5   1602.0000000             -0.438397D-02     
  6    574.1000000             -0.139776D-01     
  7    221.5000000             -0.393516D-01     
  8     90.5400000             -0.914283D-01     
  9     38.7400000             -0.165609D+00     
 10     16.9500000             -0.152505D+00     
 11      6.4520000              0.168524D+00     
 12      2.8740000              0.569284D+00     
 13      1.2500000              0.398056D+00     
S   13
  1 513000.0000000              0.178068D-05     
  2  76820.0000000              0.138148D-04     
  3  17470.0000000              0.730005D-04     
  4   4935.0000000              0.307666D-03     
  5   1602.0000000              0.112563D-02     
  6    574.1000000              0.358435D-02     
  7    221.5000000              0.101728D-01     
  8     90.5400000              0.237520D-01     
  9     38.7400000              0.443483D-01     
 10     16.9500000              0.419041D-01     
 11      6.4520000             -0.502504D-01     
 12      2.8740000             -0.216578D+00     
 13      1.2500000             -0.286448D+00     
S   1
  1      0.3599000              1.0000000        
S   1
  1      0.1699000              1.0000000        
S   1
  1      0.0706600              1.0000000        
S   1
  1      0.0275000              1.0000000        
P   8
  1   1122.0000000              0.448143D-03     
  2    266.0000000              0.381639D-02     
  3     85.9200000              0.198105D-01     
  4     32.3300000              0.727017D-01     
  5     13.3700000              0.189839D+00     
  6      5.8000000              0.335672D+00     
  7      2.5590000              0.379365D+00     
  8      1.1240000              0.201193D+00     
P   8
  1   1122.0000000             -0.964883D-04     
  2    266.0000000             -0.811971D-03     
  3     85.9200000             -0.430087D-02     
  4     32.3300000             -0.157502D-01     
  5     13.3700000             -0.429541D-01     
  6      5.8000000             -0.752574D-01     
  7      2.5590000             -0.971446D-01     
  8      1.1240000             -0.227507D-01     
P   1
  1      0.3988000              1.0000000        
P   1
  1      0.1533000              1.0000000        
P   1
  1      0.0572800              1.0000000        
P   1
  1      0.0200000              1.0000000        
D   1
  1      0.1200000              1.0000000        
D   1
  1      0.3020000              1.0000000        
D   1
  1      0.7600000              1.0000000        
D   1
  1      0.0435000              1.0000000        
F   1
  1      0.2120000              1.0000000        
F   1
  1      0.5410000              1.0000000        
F   1
  1      0.0846000              1.0000000        
G   1
  1      0.4610000              1.0000000        
G   1
  1      0.2120000              1.0000000        


name: aug-cc-pVQZ
description: VQZ3PD Valence Quadruple Zeta + Polarization + Diffuse
elt: P
data:
PHOSPHOROUS
S   13
  1 615200.0000000              0.247450D-04     
  2  92120.0000000              0.192465D-03     
  3  20950.0000000              0.101202D-02     
  4   5920.0000000              0.427261D-02     
  5   1922.0000000              0.154161D-01     
  6    688.0000000              0.485976D-01     
  7    265.0000000              0.130060D+00     
  8    108.2000000              0.274514D+00     
  9     46.2200000              0.385402D+00     
 10     20.2300000              0.255934D+00     
 11      7.8590000              0.391237D-01     
 12      3.5470000             -0.368010D-02     
 13      1.5640000              0.208211D-02     
S   13
  1 615200.0000000             -0.672205D-05     
  2  92120.0000000             -0.522311D-04     
  3  20950.0000000             -0.275361D-03     
  4   5920.0000000             -0.116307D-02     
  5   1922.0000000             -0.424281D-02     
  6    688.0000000             -0.136114D-01     
  7    265.0000000             -0.385114D-01     
  8    108.2000000             -0.906643D-01     
  9     46.2200000             -0.166584D+00     
 10     20.2300000             -0.161447D+00     
 11      7.8590000              0.146781D+00     
 12      3.5470000              0.566682D+00     
 13      1.5640000              0.416433D+00     
S   13
  1 615200.0000000              0.184740D-05     
  2  92120.0000000              0.143380D-04     
  3  20950.0000000              0.757228D-04     
  4   5920.0000000              0.319205D-03     
  5   1922.0000000              0.116851D-02     
  6    688.0000000              0.374267D-02     
  7    265.0000000              0.106817D-01     
  8    108.2000000              0.252657D-01     
  9     46.2200000              0.479283D-01     
 10     20.2300000              0.477096D-01     
 11      7.8590000             -0.466525D-01     
 12      3.5470000             -0.234968D+00     
 13      1.5640000             -0.311337D+00     
S   1
  1      0.4888000              1.0000000        
S   1
  1      0.2266000              1.0000000        
S   1
  1      0.0933100              1.0000000        
S   1
  1      0.0354000              1.0000000        
P   8
  1   1367.0000000              0.421015D-03     
  2    324.0000000              0.360985D-02     
  3    104.6000000              0.189217D-01     
  4     39.3700000              0.705560D-01     
  5     16.2600000              0.188157D+00     
  6      7.0560000              0.338709D+00     
  7      3.1300000              0.381943D+00     
  8      1.3940000              0.195261D+00     
P   8
  1   1367.0000000             -0.100827D-03     
  2    324.0000000             -0.854499D-03     
  3    104.6000000             -0.457116D-02     
  4     39.3700000             -0.170327D-01     
  5     16.2600000             -0.475204D-01     
  6      7.0560000             -0.852786D-01     
  7      3.1300000             -0.109676D+00     
  8      1.3940000             -0.161181D-01     
P   1
  1      0.5179000              1.0000000        
P   1
  1      0.2032000              1.0000000        
P   1
  1      0.0769800              1.0000000        
P   1
  1      0.0272000              1.0000000        
D   1
  1      0.1650000              1.0000000        
D   1
  1      0.4130000              1.0000000        
D   1
  1      1.0360000              1.0000000        
D   1
  1      0.0594000              1.0000000        
F   1
  1      0.2800000              1.0000000        
F   1
  1      0.7030000              1.0000000        
F   1
  1      0.1090000              1.0000000        
G   1
  1      0.5970000              1.0000000        
G   1
  1      0.2500000              1.0000000        


name: aug-cc-pVQZ
description: VQZ3PD Valence Quadruple Zeta + Polarization + Diffuse
elt: S
data:
SULFUR
S   13
  1 727800.0000000              0.236025D-04     
  2 109000.0000000              0.183482D-03     
  3  24800.0000000              0.964278D-03     
  4   7014.0000000              0.406537D-02     
  5   2278.0000000              0.146973D-01     
  6    814.7000000              0.465081D-01     
  7    313.4000000              0.125508D+00     
  8    127.7000000              0.268433D+00     
  9     54.4800000              0.384809D+00     
 10     23.8500000              0.265372D+00     
 11      9.4280000              0.437326D-01     
 12      4.2900000             -0.378807D-02     
 13      1.9090000              0.218083D-02     
S   13
  1 727800.0000000             -0.652179D-05     
  2 109000.0000000             -0.506631D-04     
  3  24800.0000000             -0.266833D-03     
  4   7014.0000000             -0.112601D-02     
  5   2278.0000000             -0.411186D-02     
  6    814.7000000             -0.132454D-01     
  7    313.4000000             -0.377004D-01     
  8    127.7000000             -0.898554D-01     
  9     54.4800000             -0.167098D+00     
 10     23.8500000             -0.169354D+00     
 11      9.4280000              0.127824D+00     
 12      4.2900000              0.564862D+00     
 13      1.9090000              0.431767D+00     
S   13
  1 727800.0000000              0.189406D-05     
  2 109000.0000000              0.146948D-04     
  3  24800.0000000              0.775460D-04     
  4   7014.0000000              0.326509D-03     
  5   2278.0000000              0.119686D-02     
  6    814.7000000              0.384799D-02     
  7    313.4000000              0.110539D-01     
  8    127.7000000              0.264645D-01     
  9     54.4800000              0.508771D-01     
 10     23.8500000              0.530030D-01     
 11      9.4280000             -0.425518D-01     
 12      4.2900000             -0.250853D+00     
 13      1.9090000             -0.333152D+00     
S   1
  1      0.6270000              1.0000000        
S   1
  1      0.2873000              1.0000000        
S   1
  1      0.1172000              1.0000000        
S   1
  1      0.0428000              1.0000000        
P   8
  1   1546.0000000              0.441183D-03     
  2    366.4000000              0.377571D-02     
  3    118.4000000              0.198360D-01     
  4     44.5300000              0.742063D-01     
  5     18.3800000              0.197327D+00     
  6      7.9650000              0.351851D+00     
  7      3.5410000              0.378687D+00     
  8      1.5910000              0.170931D+00     
P   8
  1   1546.0000000             -0.113110D-03     
  2    366.4000000             -0.958581D-03     
  3    118.4000000             -0.513471D-02     
  4     44.5300000             -0.192641D-01     
  5     18.3800000             -0.535980D-01     
  6      7.9650000             -0.960333D-01     
  7      3.5410000             -0.118183D+00     
  8      1.5910000              0.923194D-02     
P   1
  1      0.6205000              1.0000000        
P   1
  1      0.2420000              1.0000000        
P   1
  1      0.0901400              1.0000000        
P   1
  1      0.0317000              1.0000000        
D   1
  1      0.2030000              1.0000000        
D   1
  1      0.5040000              1.0000000        
D   1
  1      1.2500000              1.0000000        
D   1
  1      0.0748000              1.0000000        
F   1
  1      0.3350000              1.0000000        
F   1
  1      0.8690000              1.0000000        
F   1
  1      0.1400000              1.0000000        
G   1
  1      0.6830000              1.0000000        
G   1
  1      0.2970000              1.0000000        


name: aug-cc-pVQZ
description: VQZ3PD Valence Quadruple Zeta + Polarization + Diffuse
elt: Cl
data:
CHLORINE
S   13
  1 834900.0000000              0.231688D-04     
  2 125000.0000000              0.180154D-03     
  3  28430.0000000              0.947782D-03     
  4   8033.0000000              0.400139D-02     
  5   2608.0000000              0.144629D-01     
  6    933.9000000              0.456586D-01     
  7    360.0000000              0.123248D+00     
  8    147.0000000              0.264369D+00     
  9     62.8800000              0.382989D+00     
 10     27.6000000              0.270934D+00     
 11     11.0800000              0.471404D-01     
 12      5.0750000             -0.371766D-02     
 13      2.2780000              0.219158D-02     
S   13
  1 834900.0000000             -0.649649D-05     
  2 125000.0000000             -0.504895D-04     
  3  28430.0000000             -0.266113D-03     
  4   8033.0000000             -0.112499D-02     
  5   2608.0000000             -0.410497D-02     
  6    933.9000000             -0.131987D-01     
  7    360.0000000             -0.375342D-01     
  8    147.0000000             -0.897233D-01     
  9     62.8800000             -0.167671D+00     
 10     27.6000000             -0.174763D+00     
 11     11.0800000              0.114909D+00     
 12      5.0750000              0.563618D+00     
 13      2.2780000              0.441606D+00     
S   13
  1 834900.0000000              0.196645D-05     
  2 125000.0000000              0.152620D-04     
  3  28430.0000000              0.806086D-04     
  4   8033.0000000              0.339960D-03     
  5   2608.0000000              0.124551D-02     
  6    933.9000000              0.399612D-02     
  7    360.0000000              0.114751D-01     
  8    147.0000000              0.275504D-01     
  9     62.8800000              0.532917D-01     
 10     27.6000000              0.571246D-01     
 11     11.0800000             -0.395201D-01     
 12      5.0750000             -0.264343D+00     
 13      2.2780000             -0.349291D+00     
S   1
  1      0.7775000              1.0000000        
S   1
  1      0.3527000              1.0000000        
S   1
  1      0.1431000              1.0000000        
S   1
  1      0.0519000              1.0000000        
P   8
  1   1703.0000000              0.474039D-03     
  2    403.6000000              0.406412D-02     
  3    130.3000000              0.213355D-01     
  4     49.0500000              0.794611D-01     
  5     20.2600000              0.208927D+00     
  6      8.7870000              0.364945D+00     
  7      3.9190000              0.371725D+00     
  8      1.7650000              0.146292D+00     
P   8
  1   1703.0000000             -0.128266D-03     
  2    403.6000000             -0.109356D-02     
  3    130.3000000             -0.583429D-02     
  4     49.0500000             -0.219258D-01     
  5     20.2600000             -0.601385D-01     
  6      8.7870000             -0.106929D+00     
  7      3.9190000             -0.122454D+00     
  8      1.7650000              0.383619D-01     
P   1
  1      0.7207000              1.0000000        
P   1
  1      0.2839000              1.0000000        
P   1
  1      0.1060000              1.0000000        
P   1
  1      0.0376000              1.0000000        
D   1
  1      0.2540000              1.0000000        
D   1
  1      0.6280000              1.0000000        
D   1
  1      1.5510000              1.0000000        
D   1
  1      0.0952000              1.0000000        
F   1
  1      0.4230000              1.0000000        
F   1
  1      1.0890000              1.0000000        
F   1
  1      0.2170000              1.0000000        
G   1
  1      0.8270000              1.0000000        
G   1
  1      0.3780000              1.0000000        


name: aug-cc-pVQZ
description: VQZ3PD Valence Quadruple Zeta + Polarization + Diffuse
elt: Ar
data:
ARGON
S   13
  1 950600.0000000              0.227545D-04     
  2 142300.0000000              0.176945D-03     
  3  32360.0000000              0.931282D-03     
  4   9145.0000000              0.392860D-02     
  5   2970.0000000              0.142064D-01     
  6   1064.0000000              0.448114D-01     
  7    410.8000000              0.121001D+00     
  8    168.0000000              0.260579D+00     
  9     71.9900000              0.381364D+00     
 10     31.6700000              0.276058D+00     
 11     12.8900000              0.505179D-01     
 12      5.9290000             -0.359866D-02     
 13      2.6780000              0.218798D-02     
S   13
  1 950600.0000000             -0.646201D-05     
  2 142300.0000000             -0.502346D-04     
  3  32360.0000000             -0.264804D-03     
  4   9145.0000000             -0.111895D-02     
  5   2970.0000000             -0.408276D-02     
  6   1064.0000000             -0.131216D-01     
  7    410.8000000             -0.372855D-01     
  8    168.0000000             -0.894709D-01     
  9     71.9900000             -0.168054D+00     
 10     31.6700000             -0.179594D+00     
 11     12.8900000              0.102953D+00     
 12      5.9290000              0.562630D+00     
 13      2.6780000              0.450355D+00     
S   13
  1 950600.0000000              0.202056D-05     
  2 142300.0000000              0.156851D-04     
  3  32360.0000000              0.828617D-04     
  4   9145.0000000              0.349264D-03     
  5   2970.0000000              0.127976D-02     
  6   1064.0000000              0.410365D-02     
  7    410.8000000              0.117789D-01     
  8    168.0000000              0.283868D-01     
  9     71.9900000              0.552406D-01     
 10     31.6700000              0.607492D-01     
 11     12.8900000             -0.362012D-01     
 12      5.9290000             -0.275398D+00     
 13      2.6780000             -0.362845D+00     
S   1
  1      0.9416000              1.0000000        
S   1
  1      0.4239000              1.0000000        
S   1
  1      0.1714000              1.0000000        
S   1
  1      0.0610000              1.0000000        
P   8
  1   1890.0000000              0.495752D-03     
  2    447.8000000              0.425172D-02     
  3    144.6000000              0.223277D-01     
  4     54.4600000              0.830878D-01     
  5     22.5100000              0.217110D+00     
  6      9.7740000              0.374507D+00     
  7      4.3680000              0.366445D+00     
  8      1.9590000              0.129245D+00     
P   8
  1   1890.0000000             -0.138863D-03     
  2    447.8000000             -0.118870D-02     
  3    144.6000000             -0.632553D-02     
  4     54.4600000             -0.238813D-01     
  5     22.5100000             -0.649238D-01     
  6      9.7740000             -0.115444D+00     
  7      4.3680000             -0.123651D+00     
  8      1.9590000              0.649055D-01     
P   1
  1      0.8260000              1.0000000        
P   1
  1      0.3297000              1.0000000        
P   1
  1      0.1242000              1.0000000        
P   1
  1      0.0435000              1.0000000        
D   1
  1      0.3110000              1.0000000        
D   1
  1      0.7630000              1.0000000        
D   1
  1      1.8730000              1.0000000        
D   1
  1      0.1160000              1.0000000        
F   1
  1      0.5430000              1.0000000        
F   1
  1      1.3250000              1.0000000        
F   1
  1      0.2940000              1.0000000        
G   1
  1      1.0070000              1.0000000        
G   1
  1      0.4590000              1.0000000        


name: aug-cc-pVQZ
description: VQZ3PD Valence Quadruple Zeta + Polarization + Diffuse
elt: Sc
data:
SCANDIUM
S   21
  1 8417909.0000000             1.981292E-06     
  2 1260312.0000000             1.540697E-05     
  3 286798.4000000              8.106065E-05     
  4  81234.6900000              0.0003423943     
  5  26503.1100000              0.00124699       
  6   9568.7010000              0.004056425      
  7   3732.4970000              0.01200596       
  8   1548.4220000              0.03235944       
  9    675.5420000              0.07819972       
 10    307.2522000              0.1617396        
 11    144.6672000              0.2618480        
 12     70.0438700              0.2748284        
 13     34.3225000              0.1419647        
 14     15.6122400              0.07046176       
 15      7.7437220              0.1288392        
 16      3.8442600              0.09269352       
 17      1.7197660              0.01229949       
 18      0.8325230             -0.0004588239     
 19      0.3855640              0.0001722703     
 20      0.0967000             -5.410745E-05     
 21      0.0477780              4.892875E-05     
S   21
  1 8417909.0000000            -1.147926E-06     
  2 1260312.0000000            -8.929259E-06     
  3 286798.4000000             -4.696382E-05     
  4  81234.6900000             -0.0001985315     
  5  26503.1100000             -0.0007230932     
  6   9568.7010000             -0.002358822      
  7   3732.4970000             -0.007008148      
  8   1548.4220000             -0.01912407       
  9    675.5420000             -0.04728922       
 10    307.2522000             -0.1032480        
 11    144.6672000             -0.1861960        
 12     70.0438700             -0.2480547        
 13     34.3225000             -0.1614781        
 14     15.6122400              0.1779183        
 15      7.7437220              0.5324076        
 16      3.8442600              0.3752830        
 17      1.7197660              0.05198123       
 18      0.8325230             -0.004029053      
 19      0.3855640              0.0003794092     
 20      0.0967000             -0.0004006692     
 21      0.0477780              0.0003219248     
S   21
  1 8417909.0000000             2.221960E-07     
  2 1260312.0000000             1.729799E-06     
  3 286798.4000000              9.088001E-06     
  4  81234.6900000              3.848622E-05     
  5  26503.1100000              0.0001399997     
  6   9568.7010000              0.0004585975     
  7   3732.4970000              0.001364588      
  8   1548.4220000              0.003773739      
  9    675.5420000              0.009493887      
 10    307.2522000              0.02174611       
 11    144.6672000              0.04228528       
 12     70.0438700              0.0654061        
 13     34.3225000              0.04759732       
 14     15.6122400             -0.0816033        
 15      7.7437220             -0.3283980        
 16      3.8442600             -0.3654561        
 17      1.7197660              0.2102218        
 18      0.8325230              0.6856793        
 19      0.3855640              0.3684308        
 20      0.0967000              0.02050798       
 21      0.0477780             -0.006410776      
S   21
  1 8417909.0000000            -5.350285E-08     
  2 1260312.0000000            -4.164419E-07     
  3 286798.4000000             -2.188499E-06     
  4  81234.6900000             -9.264628E-06     
  5  26503.1100000             -3.371711E-05     
  6   9568.7010000             -0.0001103886     
  7   3732.4970000             -0.0003287051     
  8   1548.4220000             -0.000908425      
  9    675.5420000             -0.002288204      
 10    307.2522000             -0.005238462      
 11    144.6672000             -0.01021547       
 12     70.0438700             -0.01581707       
 13     34.3225000             -0.01162945       
 14     15.6122400              0.02013432       
 15      7.7437220              0.08405086       
 16      3.8442600              0.0984825        
 17      1.7197660             -0.06838523       
 18      0.8325230             -0.2353627        
 19      0.3855640             -0.2776984        
 20      0.0967000              0.2987423        
 21      0.0477780              0.6193723        
S   21
  1 8417909.0000000            -9.140993E-08     
  2 1260312.0000000            -7.270775E-07     
  3 286798.4000000             -3.702449E-06     
  4  81234.6900000             -1.633468E-05     
  5  26503.1100000             -5.64236E-05      
  6   9568.7010000             -0.000196819      
  7   3732.4970000             -0.0005428811     
  8   1548.4220000             -0.001642692      
  9    675.5420000             -0.003709752      
 10    307.2522000             -0.009699229      
 11    144.6672000             -0.0158935        
 12     70.0438700             -0.03149937       
 13     34.3225000             -0.0115392        
 14     15.6122400              0.01426789       
 15      7.7437220              0.1977719        
 16      3.8442600              0.09493216       
 17      1.7197660              0.0267895        
 18      0.8325230             -0.9351082        
 19      0.3855640              0.1820725        
 20      0.0967000              2.0774230        
 21      0.0477780             -1.1139440        
S   21
  1 8417909.0000000            -1.445075E-07     
  2 1260312.0000000            -1.167681E-06     
  3 286798.4000000             -5.810201E-06     
  4  81234.6900000             -2.64162E-05      
  5  26503.1100000             -8.781407E-05     
  6   9568.7010000             -0.0003207912     
  7   3732.4970000             -0.000836375      
  8   1548.4220000             -0.00270364       
  9    675.5420000             -0.00563396       
 10    307.2522000             -0.01622651       
 11    144.6672000             -0.02336426       
 12     70.0438700             -0.05523292       
 13     34.3225000             -0.008807771      
 14     15.6122400             -0.0002060869     
 15      7.7437220              0.3882857        
 16      3.8442600              0.0974343        
 17      1.7197660              0.006858569      
 18      0.8325230             -2.3215700        
 19      0.3855640              2.6665800        
 20      0.0967000              0.1898281        
 21      0.0477780             -2.6840650        
S   21
  1 8417909.0000000            -1.607992E-07     
  2 1260312.0000000            -1.216461E-06     
  3 286798.4000000             -6.659894E-06     
  4  81234.6900000             -2.670499E-05     
  5  26503.1100000             -0.0001039947     
  6   9568.7010000             -0.0003133995     
  7   3732.4970000             -0.001029884      
  8   1548.4220000             -0.002530633      
  9    675.5420000             -0.007335917      
 10    307.2522000             -0.01414587       
 11    144.6672000             -0.03451496       
 12     70.0438700             -0.03859251       
 13     34.3225000             -0.05560506       
 14     15.6122400              0.1025062        
 15      7.7437220              0.2265527        
 16      3.8442600              0.6017289        
 17      1.7197660             -1.4029740        
 18      0.8325230             -0.8478364        
 19      0.3855640              3.0947890        
 20      0.0967000             -5.7927330        
 21      0.0477780              6.9441580        
S   1
  1      0.0223630              1.0000000        
S   1
  1      0.0104700              1.0000000        
P   17
  1  22640.9700000              0.0000120        
  2   5357.5450000              0.0001070        
  3   1740.3730000              0.0006250        
  4    666.6163000              0.0028300        
  5    283.6384000              0.0105300        
  6    129.7976000              0.0328810        
  7     62.6795600              0.0858840        
  8     31.5044100              0.1800300        
  9     16.2352500              0.2892240        
 10      8.5183240              0.3279100        
 11      4.5190050              0.2101980        
 12      2.3665910              0.0546800        
 13      1.2152350              0.0018530        
 14      0.6143480             -0.0014170        
 15      0.3007450             -0.0009530        
 16      0.1260040             -0.0000510        
 17      0.0548400             -0.0000210        
P   17
  1  22640.9700000             -0.0000040        
  2   5357.5450000             -0.0000350        
  3   1740.3730000             -0.0002050        
  4    666.6163000             -0.0009320        
  5    283.6384000             -0.0034840        
  6    129.7976000             -0.0110190        
  7     62.6795600             -0.0294150        
  8     31.5044100             -0.0637130        
  9     16.2352500             -0.1060850        
 10      8.5183240             -0.1286380        
 11      4.5190050             -0.0530120        
 12      2.3665910              0.1740260        
 13      1.2152350              0.3925500        
 14      0.6143480              0.3965140        
 15      0.3007450              0.1765440        
 16      0.1260040              0.0191110        
 17      0.0548400              0.0000750        
P   17
  1  22640.9700000              0.0000010        
  2   5357.5450000              0.0000090        
  3   1740.3730000              0.0000500        
  4    666.6163000              0.0002270        
  5    283.6384000              0.0008530        
  6    129.7976000              0.0026860        
  7     62.6795600              0.0072250        
  8     31.5044100              0.0155900        
  9     16.2352500              0.0263030        
 10      8.5183240              0.0317770        
 11      4.5190050              0.0124830        
 12      2.3665910             -0.0526270        
 13      1.2152350             -0.1140250        
 14      0.6143480             -0.1463710        
 15      0.3007450             -0.0138630        
 16      0.1260040              0.3524440        
 17      0.0548400              0.5504540        
P   17
  1  22640.9700000              0.0000010        
  2   5357.5450000              0.0000100        
  3   1740.3730000              0.0000600        
  4    666.6163000              0.0002740        
  5    283.6384000              0.0010250        
  6    129.7976000              0.0032500        
  7     62.6795600              0.0086740        
  8     31.5044100              0.0188660        
  9     16.2352500              0.0314660        
 10      8.5183240              0.0386630        
 11      4.5190050              0.0149230        
 12      2.3665910             -0.0596700        
 13      1.2152350             -0.1347060        
 14      0.6143480             -0.1728090        
 15      0.3007450             -0.0806980        
 16      0.1260040              0.5542640        
 17      0.0548400              0.5500070        
P   17
  1  22640.9700000              0.0000020        
  2   5357.5450000              0.0000200        
  3   1740.3730000              0.0001280        
  4    666.6163000              0.0005340        
  5    283.6384000              0.0021640        
  6    129.7976000              0.0063070        
  7     62.6795600              0.0183770        
  8     31.5044100              0.0360160        
  9     16.2352500              0.0694300        
 10      8.5183240              0.0719490        
 11      4.5190050              0.0577890        
 12      2.3665910             -0.1752840        
 13      1.2152350             -0.3373290        
 14      0.6143480             -0.5644270        
 15      0.3007450              1.1633800        
 16      0.1260040              0.5658350        
 17      0.0548400             -0.9715060        
P   17
  1  22640.9700000             -0.0000020        
  2   5357.5450000             -0.0000290        
  3   1740.3730000             -0.0001300        
  4    666.6163000             -0.0007520        
  5    283.6384000             -0.0022120        
  6    129.7976000             -0.0088930        
  7     62.6795600             -0.0182620        
  8     31.5044100             -0.0530410        
  9     16.2352500             -0.0599390        
 10      8.5183240             -0.1556420        
 11      4.5190050              0.0095720        
 12      2.3665910              0.0918980        
 13      1.2152350              1.2567100        
 14      0.6143480             -1.0111150        
 15      0.3007450             -1.3688360        
 16      0.1260040              2.3777820        
 17      0.0548400             -1.1539840        
P   1
  1      0.0235570              1.0000000        
P   1
  1      0.0101200              1.0000000        
D   10
  1    145.4680000              0.0004940        
  2     43.4188000              0.0041980        
  3     16.5768000              0.0189670        
  4      6.9711100              0.0584080        
  5      3.1334700              0.1376050        
  6      1.4576800              0.2314700        
  7      0.6745380              0.2965300        
  8      0.3051620              0.3052000        
  9      0.1341130              0.2380750        
 10      0.0572700              0.1073860        
D   10
  1    145.4680000             -0.0005050        
  2     43.4188000             -0.0042930        
  3     16.5768000             -0.0194750        
  4      6.9711100             -0.0606310        
  5      3.1334700             -0.1436610        
  6      1.4576800             -0.2292940        
  7      0.6745380             -0.2619730        
  8      0.3051620             -0.0530060        
  9      0.1341130              0.4119990        
 10      0.0572700              0.4831900        
D   10
  1    145.4680000             -0.0006670        
  2     43.4188000             -0.0055930        
  3     16.5768000             -0.0259900        
  4      6.9711100             -0.0791400        
  5      3.1334700             -0.1936220        
  6      1.4576800             -0.2899810        
  7      0.6745380             -0.1702510        
  8      0.3051620              0.6126870        
  9      0.1341130              0.4817940        
 10      0.0572700             -0.6794480        
D   10
  1    145.4680000              0.0008360        
  2     43.4188000              0.0084950        
  3     16.5768000              0.0334810        
  4      6.9711100              0.1270110        
  5      3.1334700              0.2482810        
  6      1.4576800              0.4455630        
  7      0.6745380             -0.5406450        
  8      0.3051620             -0.8783940        
  9      0.1341130              1.4431180        
 10      0.0572700             -0.4690810        
D   1
  1      0.0233540              1.0000000        
D   1
  1      0.0095200              1.0000000        
F   1
  1      1.4167000              1.0000000        
F   1
  1      0.3992000              1.0000000        
F   1
  1      0.1125000              1.0000000        
F   1
  1      0.0312800              1.0000000        
G   1
  1      0.9963000              1.0000000        
G   1
  1      0.2573000              1.0000000        
G   1
  1      0.0723600              1.0000000        
H   1
  1      0.5016000              1.0000000        
H   1
  1      0.1226400              1.0000000        


name: aug-cc-pVQZ
description: VQZ3PD Valence Quadruple Zeta + Polarization + Diffuse
elt: Ti
data:
TITANIUM
S   21
  1 9317034.0000000             1.967884E-06     
  2 1394971.0000000             1.530198E-05     
  3 317453.1000000              8.050403E-05     
  4  89921.0000000              0.0003400302     
  5  29338.1600000              0.001238349      
  6  10592.6600000              0.004028475      
  7   4132.0560000              0.01192508       
  8   1714.2350000              0.03215601       
  9    747.9151000              0.0777862        
 10    340.1991000              0.1612030        
 11    160.2060000              0.2618826        
 12     77.5885100              0.2766541        
 13     38.0448900              0.1442968        
 14     17.3536200              0.06993131       
 15      8.6420620              0.1259449        
 16      4.3044040              0.0902583        
 17      1.9377180              0.01200401       
 18      0.9365940             -0.0003976168     
 19      0.4326240              0.0001425444     
 20      0.1073520             -4.196664E-05     
 21      0.0520340              4.824213E-05     
S   21
  1 9317034.0000000            -1.130007E-06     
  2 1394971.0000000            -8.789416E-06     
  3 317453.1000000             -4.622623E-05     
  4  89921.0000000             -0.0001954047     
  5  29338.1600000             -0.0007117        
  6  10592.6600000             -0.002321755      
  7   4132.0560000             -0.006899511      
  8   1714.2350000             -0.01883765       
  9    747.9151000             -0.04663976       
 10    340.1991000             -0.1020764        
 11    160.2060000             -0.1848693        
 12     77.5885100             -0.2479601        
 13     38.0448900             -0.1634863        
 14     17.3536200              0.1779147        
 15      8.6420620              0.5351738        
 16      4.3044040              0.3752822        
 17      1.9377180              0.05217038       
 18      0.9365940             -0.003863192      
 19      0.4326240              0.0002845374     
 20      0.1073520             -0.0003500414     
 21      0.0520340              0.0003192906     
S   21
  1 9317034.0000000             2.252735E-07     
  2 1394971.0000000             1.753631E-06     
  3 317453.1000000              9.213052E-06     
  4  89921.0000000              3.901242E-05     
  5  29338.1600000              0.0001419184     
  6  10592.6600000              0.0004648635     
  7   4132.0560000              0.001383544      
  8   1714.2350000              0.003827354      
  9    747.9151000              0.009639191      
 10    340.1991000              0.02211719       
 11    160.2060000              0.04314954       
 12     77.5885100              0.06703481       
 13     38.0448900              0.04946424       
 14     17.3536200             -0.08333456       
 15      8.6420620             -0.3384435        
 16      4.3044040             -0.3674069        
 17      1.9377180              0.2247056        
 18      0.9365940              0.6878815        
 19      0.4326240              0.3594435        
 20      0.1073520              0.01933695       
 21      0.0520340             -0.005997819      
S   21
  1 9317034.0000000            -5.318433E-08     
  2 1394971.0000000            -4.139855E-07     
  3 317453.1000000             -2.175153E-06     
  4  89921.0000000             -9.209567E-06     
  5  29338.1600000             -3.350761E-05     
  6  10592.6600000             -0.0001097393     
  7   4132.0560000             -0.0003267006     
  8   1714.2350000             -0.0009036567     
  9    747.9151000             -0.002277257      
 10    340.1991000             -0.005226756      
 11    160.2060000             -0.01021707       
 12     77.5885100             -0.01591468       
 13     38.0448900             -0.01182814       
 14     17.3536200              0.02011999       
 15      8.6420620              0.08526584       
 16      4.3044040              0.09693489       
 17      1.9377180             -0.07082672       
 18      0.9365940             -0.2359740        
 19      0.4326240             -0.2629613        
 20      0.1073520              0.3011214        
 21      0.0520340              0.6125074        
S   21
  1 9317034.0000000            -9.711872E-08     
  2 1394971.0000000            -7.73397E-07      
  3 317453.1000000             -3.931052E-06     
  4  89921.0000000             -1.738323E-05     
  5  29338.1600000             -5.986536E-05     
  6  10592.6600000             -0.0002095853     
  7   4132.0560000             -0.0005756482     
  8   1714.2350000             -0.001751595      
  9    747.9151000             -0.00393512       
 10    340.1991000             -0.0103849        
 11    160.2060000             -0.0169110        
 12     77.5885100             -0.03410989       
 13     38.0448900             -0.01220437       
 14     17.3536200              0.01397535       
 15      8.6420620              0.2176212        
 16      4.3044040              0.09532708       
 17      1.9377180              0.01782524       
 18      0.9365940             -1.0163420        
 19      0.4326240              0.3107026        
 20      0.1073520              1.9917860        
 21      0.0520340             -1.1429550        
S   21
  1 9317034.0000000            -1.533644E-07     
  2 1394971.0000000            -1.234295E-06     
  3 317453.1000000             -6.177188E-06     
  4  89921.0000000             -2.787253E-05     
  5  29338.1600000             -9.355199E-05     
  6  10592.6600000             -0.0003378352     
  7   4132.0560000             -0.0008935475     
  8   1714.2350000             -0.002842353      
  9    747.9151000             -0.006052332      
 10    340.1991000             -0.0170469        
 11    160.2060000             -0.02549806       
 12     77.5885100             -0.05791149       
 13     38.0448900             -0.01271791       
 14     17.3536200              0.006260762      
 15      8.6420620              0.4080306        
 16      4.3044040              0.1284258        
 17      1.9377180             -0.1231286        
 18      0.9365940             -2.2673310        
 19      0.4326240              2.8075070        
 20      0.1073520             -0.3028009        
 21      0.0520340             -2.0712270        
S   21
  1 9317034.0000000            -1.764526E-07     
  2 1394971.0000000            -1.314401E-06     
  3 317453.1000000             -7.355464E-06     
  4  89921.0000000             -2.863762E-05     
  5  29338.1600000             -0.0001156551     
  6  10592.6600000             -0.0003330732     
  7   4132.0560000             -0.001155156      
  8   1714.2350000             -0.002659832      
  9    747.9151000             -0.008332036      
 10    340.1991000             -0.01462611       
 11    160.2060000             -0.0403089        
 12     77.5885100             -0.03745842       
 13     38.0448900             -0.07375959       
 14     17.3536200              0.1443268        
 15      8.6420620              0.2119031        
 16      4.3044040              0.7474187        
 17      1.9377180             -2.0310800        
 18      0.9365940              0.1922693        
 19      0.4326240              2.2877680        
 20      0.1073520             -5.1681350        
 21      0.0520340              6.4603230        
S   1
  1      0.0240380              1.0000000        
S   1
  1      0.0111000              1.0000000        
P   17
  1  25537.3300000              0.0000120        
  2   6042.2430000              0.0001040        
  3   1962.6530000              0.0006070        
  4    751.7338000              0.0027510        
  5    319.8833000              0.0102660        
  6    146.4300000              0.0321800        
  7     70.7486100              0.0844860        
  8     35.5908800              0.1783320        
  9     18.3689300              0.2885740        
 10      9.6586550              0.3287580        
 11      5.1367300              0.2115410        
 12      2.6988720              0.0555190        
 13      1.3897030              0.0020200        
 14      0.7031630             -0.0014290        
 15      0.3441230             -0.0009410        
 16      0.1413610             -0.0000530        
 17      0.0608630             -0.0000170        
P   17
  1  25537.3300000             -0.0000040        
  2   6042.2430000             -0.0000350        
  3   1962.6530000             -0.0002030        
  4    751.7338000             -0.0009250        
  5    319.8833000             -0.0034700        
  6    146.4300000             -0.0110200        
  7     70.7486100             -0.0295770        
  8     35.5908800             -0.0645740        
  9     18.3689300             -0.1084580        
 10      9.6586550             -0.1319100        
 11      5.1367300             -0.0530890        
 12      2.6988720              0.1781250        
 13      1.3897030              0.3957010        
 14      0.7031630              0.3927280        
 15      0.3441230              0.1744770        
 16      0.1413610              0.0189460        
 17      0.0608630             -0.0003280        
P   17
  1  25537.3300000              0.0000010        
  2   6042.2430000              0.0000080        
  3   1962.6530000              0.0000490        
  4    751.7338000              0.0002210        
  5    319.8833000              0.0008360        
  6    146.4300000              0.0026410        
  7     70.7486100              0.0071510        
  8     35.5908800              0.0155300        
  9     18.3689300              0.0264790        
 10      9.6586550              0.0319800        
 11      5.1367300              0.0125610        
 12      2.6988720             -0.0529940        
 13      1.3897030             -0.1130390        
 14      0.7031630             -0.1436980        
 15      0.3441230             -0.0103360        
 16      0.1413610              0.3547360        
 17      0.0608630              0.5481010        
P   17
  1  25537.3300000              0.0000010        
  2   6042.2430000              0.0000100        
  3   1962.6530000              0.0000610        
  4    751.7338000              0.0002750        
  5    319.8833000              0.0010340        
  6    146.4300000              0.0032830        
  7     70.7486100              0.0088290        
  8     35.5908800              0.0193080        
  9     18.3689300              0.0326120        
 10      9.6586550              0.0399770        
 11      5.1367300              0.0152990        
 12      2.6988720             -0.0626200        
 13      1.3897030             -0.1382880        
 14      0.7031630             -0.1763480        
 15      0.3441230             -0.0554040        
 16      0.1413610              0.5592910        
 17      0.0608630              0.5331150        
P   17
  1  25537.3300000              0.0000020        
  2   6042.2430000              0.0000200        
  3   1962.6530000              0.0001260        
  4    751.7338000              0.0005260        
  5    319.8833000              0.0021510        
  6    146.4300000              0.0062570        
  7     70.7486100              0.0184550        
  8     35.5908800              0.0362470        
  9     18.3689300              0.0709200        
 10      9.6586550              0.0718270        
 11      5.1367300              0.0592010        
 12      2.6988720             -0.1842720        
 13      1.3897030             -0.3296530        
 14      0.7031630             -0.5457640        
 15      0.3441230              1.1454310        
 16      0.1413610              0.5526250        
 17      0.0608630             -0.9642600        
P   17
  1  25537.3300000             -0.0000030        
  2   6042.2430000             -0.0000280        
  3   1962.6530000             -0.0001340        
  4    751.7338000             -0.0007360        
  5    319.8833000             -0.0022930        
  6    146.4300000             -0.0087520        
  7     70.7486100             -0.0192260        
  8     35.5908800             -0.0525890        
  9     18.3689300             -0.0658940        
 10      9.6586550             -0.1481120        
 11      5.1367300             -0.0241240        
 12      2.6988720              0.1769790        
 13      1.3897030              1.1584280        
 14      0.7031630             -0.9634580        
 15      0.3441230             -1.3245080        
 16      0.1413610              2.2913730        
 17      0.0608630             -1.1129320        
P   1
  1      0.0259070              1.0000000        
P   1
  1      0.0110300              1.0000000        
D   10
  1    196.9490000              0.0003820        
  2     58.8372000              0.0033680        
  3     22.5654000              0.0162420        
  4      9.5756600              0.0523770        
  5      4.3185900              0.1299280        
  6      2.0232700              0.2312330        
  7      0.9467780              0.3035610        
  8      0.4338760              0.3092680        
  9      0.1922740              0.2316440        
 10      0.0815020              0.1015400        
D   10
  1    196.9490000             -0.0003880        
  2     58.8372000             -0.0034280        
  3     22.5654000             -0.0165980        
  4      9.5756600             -0.0541720        
  5      4.3185900             -0.1366600        
  6      2.0232700             -0.2294490        
  7      0.9467780             -0.2549950        
  8      0.4338760             -0.0476610        
  9      0.1922740              0.3948800        
 10      0.0815020              0.4964530        
D   10
  1    196.9490000             -0.0006220        
  2     58.8372000             -0.0054930        
  3     22.5654000             -0.0269680        
  4      9.5756600             -0.0895330        
  5      4.3185900             -0.2283740        
  6      2.0232700             -0.3312580        
  7      0.9467780             -0.1063490        
  8      0.4338760              0.6310360        
  9      0.1922740              0.3966210        
 10      0.0815020             -0.6180090        
D   10
  1    196.9490000             -0.0006960        
  2     58.8372000             -0.0070890        
  3     22.5654000             -0.0310130        
  4      9.5756600             -0.1200550        
  5      4.3185900             -0.2789100        
  6      2.0232700             -0.3789610        
  7      0.9467780              0.5737430        
  8      0.4338760              0.7279500        
  9      0.1922740             -1.2976560        
 10      0.0815020              0.3203760        
D   1
  1      0.0322850              1.0000000        
D   1
  1      0.0127900              1.0000000        
F   1
  1      2.2626000              1.0000000        
F   1
  1      0.6418000              1.0000000        
F   1
  1      0.1821000              1.0000000        
F   1
  1      0.0554100              1.0000000        
G   1
  1      1.5732000              1.0000000        
G   1
  1      0.4002000              1.0000000        
G   1
  1      0.1256600              1.0000000        
H   1
  1      0.8721000              1.0000000        
H   1
  1      0.2724200              1.0000000        


name: aug-cc-pVQZ
description: VQZ3PD Valence Quadruple Zeta + Polarization + Diffuse
elt: V
data:
VANADIUM
S   21
  1 10251780.0000000            1.966291E-06     
  2 1534920.0000000             1.528967E-05     
  3 349300.9000000              8.043932E-05     
  4  98942.0500000              0.0003397617     
  5  32281.3600000              0.001237405      
  6  11655.2700000              0.00402574       
  7   4546.5480000              0.01191912       
  8   1886.1850000              0.03215431       
  9    822.9417000              0.07785452       
 10    374.3439000              0.1616367        
 11    176.3069000              0.2634194        
 12     85.4066100              0.2799986        
 13     41.9043500              0.1473474        
 14     19.1552500              0.06826405       
 15      9.5716170              0.1194436        
 16      4.7800860              0.08507582       
 17      2.1618600              0.01125814       
 18      1.0427110             -0.0003353521     
 19      0.4802820              0.0001070571     
 20      0.1176380             -2.979622E-05     
 21      0.0561740              4.672816E-05     
S   21
  1 10251780.0000000           -1.100923E-06     
  2 1534920.0000000            -8.56325E-06      
  3 349300.9000000             -4.503678E-05     
  4  98942.0500000             -0.0001903808     
  5  32281.3600000             -0.0006934284     
  6  11655.2700000             -0.002262429      
  7   4546.5480000             -0.006724991      
  8   1886.1850000             -0.01837325       
  9    822.9417000             -0.0455526        
 10    374.3439000             -0.09996969       
 11    176.3069000             -0.1819111        
 12     85.4066100             -0.2458744        
 13     41.9043500             -0.1638089        
 14     19.1552500              0.1795843        
 15      9.5716170              0.5389547        
 16      4.7800860              0.3749098        
 17      2.1618600              0.05200269       
 18      1.0427110             -0.003775873      
 19      0.4802820              0.0001686888     
 20      0.1176380             -0.0003063802     
 21      0.0561740              0.0003238096     
S   21
  1 10251780.0000000            2.278854E-07     
  2 1534920.0000000             1.773942E-06     
  3 349300.9000000              9.319992E-06     
  4  98942.0500000              3.946449E-05     
  5  32281.3600000              0.000143572      
  6  11655.2700000              0.0004702911     
  7   4546.5480000              0.001399998      
  8   1886.1850000              0.003874111      
  9    822.9417000              0.009765942      
 10    374.3439000              0.02244179       
 11    176.3069000              0.04390091       
 12     85.4066100              0.06843462       
 13     41.9043500              0.0509650        
 14     19.1552500             -0.0853594        
 15      9.5716170             -0.3474804        
 16      4.7800860             -0.3672368        
 17      2.1618600              0.2385408        
 18      1.0427110              0.6888178        
 19      0.4802820              0.3509919        
 20      0.1176380              0.01826144       
 21      0.0561740             -0.005541134      
S   21
  1 10251780.0000000           -5.275948E-08     
  2 1534920.0000000            -4.107129E-07     
  3 349300.9000000             -2.157711E-06     
  4  98942.0500000             -9.13722E-06      
  5  32281.3600000             -3.323885E-05     
  6  11655.2700000             -0.0001088925     
  7   4546.5480000             -0.0003241407     
  8   1886.1850000             -0.0008972319     
  9    822.9417000             -0.002262105      
 10    374.3439000             -0.005203068      
 11    176.3069000             -0.01019123       
 12     85.4066100             -0.0159482        
 13     41.9043500             -0.01193588       
 14     19.1552500              0.02018344       
 15      9.5716170              0.08610071       
 16      4.7800860              0.09487917       
 17      2.1618600             -0.07309753       
 18      1.0427110             -0.2349632        
 19      0.4802820             -0.2500297        
 20      0.1176380              0.3026096        
 21      0.0561740              0.6061635        
S   21
  1 10251780.0000000           -1.003479E-07     
  2 1534920.0000000            -7.997061E-07     
  3 349300.9000000             -4.060397E-06     
  4  98942.0500000             -1.79807E-05      
  5  32281.3600000             -6.18137E-05      
  6  11655.2700000             -0.0002168915     
  7   4546.5480000             -0.0005942417     
  8   1886.1850000             -0.001814506      
  9    822.9417000             -0.004064807      
 10    374.3439000             -0.01079223       
 11    176.3069000             -0.01752264       
 12     85.4066100             -0.03573873       
 13     41.9043500             -0.01263079       
 14     19.1552500              0.01393494       
 15      9.5716170              0.2305046        
 16      4.7800860              0.0936574        
 17      2.1618600              0.00782896       
 18      1.0427110             -1.0538540        
 19      0.4802820              0.3865591        
 20      0.1176380              1.9257830        
 21      0.0561740             -1.1464290        
S   21
  1 10251780.0000000           -1.592148E-07     
  2 1534920.0000000            -1.278305E-06     
  3 349300.9000000             -6.420097E-06     
  4  98942.0500000             -2.883633E-05     
  5  32281.3600000             -9.73589E-05      
  6  11655.2700000             -0.0003491402     
  7   4546.5480000             -0.0009316194     
  8   1886.1850000             -0.002934959      
  9    822.9417000             -0.006333703      
 10    374.3439000             -0.01760698       
 11    176.3069000             -0.02696848       
 12     85.4066100             -0.05982079       
 13     41.9043500             -0.01545613       
 14     19.1552500              0.01103001       
 15      9.5716170              0.4234006        
 16      4.7800860              0.1454088        
 17      2.1618600             -0.2197140        
 18      1.0427110             -2.1943290        
 19      0.4802820              2.8574410        
 20      0.1176380             -0.5832475        
 21      0.0561740             -1.6928450        
S   21
  1 10251780.0000000           -1.885199E-07     
  2 1534920.0000000            -1.39455E-06      
  3 349300.9000000             -7.881519E-06     
  4  98942.0500000             -3.027981E-05     
  5  32281.3600000             -0.000124316      
  6  11655.2700000             -0.0003507231     
  7   4546.5480000             -0.00124644       
  8   1886.1850000             -0.00278742       
  9    822.9417000             -0.009045618      
 10    374.3439000             -0.01522967       
 11    176.3069000             -0.04437496       
 12     85.4066100             -0.03793507       
 13     41.9043500             -0.08564216       
 14     19.1552500              0.1715635        
 15      9.5716170              0.2192374        
 16      4.7800860              0.8190393        
 17      2.1618600             -2.4396980        
 18      1.0427110              0.9048685        
 19      0.4802820              1.7069230        
 20      0.1176380             -4.6758140        
 21      0.0561740              6.0487340        
S   1
  1      0.0256610              1.0000000        
S   1
  1      0.0117200              1.0000000        
P   17
  1  28563.3200000              0.0000110        
  2   6757.1910000              0.0001010        
  3   2194.6520000              0.0005920        
  4    840.5257000              0.0026900        
  5    357.6666000              0.0100630        
  6    163.7534000              0.0316540        
  7     79.1446600              0.0834780        
  8     39.8385800              0.1772260        
  9     20.5853600              0.2883980        
 10     10.8430700              0.3294320        
 11      5.7779690              0.2121300        
 12      3.0431700              0.0558820        
 13      1.5702390              0.0020970        
 14      0.7949750             -0.0014710        
 15      0.3889800             -0.0009480        
 16      0.1573270             -0.0000550        
 17      0.0665660             -0.0000130        
P   17
  1  28563.3200000             -0.0000040        
  2   6757.1910000             -0.0000340        
  3   2194.6520000             -0.0002020        
  4    840.5257000             -0.0009200        
  5    357.6666000             -0.0034590        
  6    163.7534000             -0.0110250        
  7     79.1446600             -0.0297320        
  8     39.8385800             -0.0653490        
  9     20.5853600             -0.1105270        
 10     10.8430700             -0.1345370        
 11      5.7779690             -0.0524370        
 12      3.0431700              0.1822160        
 13      1.5702390              0.3980180        
 14      0.7949750              0.3891530        
 15      0.3889800              0.1727170        
 16      0.1573270              0.0187460        
 17      0.0665660             -0.0005940        
P   17
  1  28563.3200000              0.0000010        
  2   6757.1910000              0.0000080        
  3   2194.6520000              0.0000490        
  4    840.5257000              0.0002210        
  5    357.6666000              0.0008380        
  6    163.7534000              0.0026560        
  7     79.1446600              0.0072330        
  8     39.8385800              0.0158080        
  9     20.5853600              0.0271720        
 10     10.8430700              0.0328010        
 11      5.7779690              0.0123380        
 12      3.0431700             -0.0554180        
 13      1.5702390             -0.1156040        
 14      0.7949750             -0.1390920        
 15      0.3889800              0.0006820        
 16      0.1573270              0.3520090        
 17      0.0665660              0.5422050        
P   17
  1  28563.3200000              0.0000010        
  2   6757.1910000              0.0000100        
  3   2194.6520000              0.0000600        
  4    840.5257000              0.0002750        
  5    357.6666000              0.0010330        
  6    163.7534000              0.0032960        
  7     79.1446600              0.0088960        
  8     39.8385800              0.0196130        
  9     20.5853600              0.0333180        
 10     10.8430700              0.0410090        
 11      5.7779690              0.0149590        
 12      3.0431700             -0.0642560        
 13      1.5702390             -0.1418170        
 14      0.7949750             -0.1739660        
 15      0.3889800             -0.0411320        
 16      0.1573270              0.5639950        
 17      0.0665660              0.5238960        
P   17
  1  28563.3200000              0.0000020        
  2   6757.1910000              0.0000200        
  3   2194.6520000              0.0001290        
  4    840.5257000              0.0005360        
  5    357.6666000              0.0022030        
  6    163.7534000              0.0064280        
  7     79.1446600              0.0190710        
  8     39.8385800              0.0377120        
  9     20.5853600              0.0742670        
 10     10.8430700              0.0752600        
 11      5.7779690              0.0609980        
 12      3.0431700             -0.2009760        
 13      1.5702390             -0.3453430        
 14      0.7949750             -0.5018350        
 15      0.3889800              1.1436310        
 16      0.1573270              0.5044870        
 17      0.0665660             -0.9441030        
P   17
  1  28563.3200000             -0.0000030        
  2   6757.1910000             -0.0000290        
  3   2194.6520000             -0.0001410        
  4    840.5257000             -0.0007730        
  5    357.6666000             -0.0024220        
  6    163.7534000             -0.0092670        
  7     79.1446600             -0.0205550        
  8     39.8385800             -0.0564850        
  9     20.5853600             -0.0714930        
 10     10.8430700             -0.1577910        
 11      5.7779690             -0.0215520        
 12      3.0431700              0.2379500        
 13      1.5702390              1.1318370        
 14      0.7949750             -1.0891800        
 15      0.3889800             -1.1257730        
 16      0.1573270              2.1681890        
 17      0.0665660             -1.1102630        
P   1
  1      0.0278610              1.0000000        
P   1
  1      0.0116600              1.0000000        
D   10
  1    238.0090000              0.0003500        
  2     71.1896000              0.0031300        
  3     27.3946000              0.0154780        
  4     11.7173000              0.0508290        
  5      5.3248000              0.1275480        
  6      2.5169800              0.2304470        
  7      1.1907500              0.3040580        
  8      0.5518090              0.3083660        
  9      0.2469260              0.2290220        
 10      0.1051000              0.1013600        
D   10
  1    238.0090000             -0.0003700        
  2     71.1896000             -0.0033170        
  3     27.3946000             -0.0164740        
  4     11.7173000             -0.0548390        
  5      5.3248000             -0.1408390        
  6      2.5169800             -0.2395530        
  7      1.1907500             -0.2519100        
  8      0.5518090             -0.0261060        
  9      0.2469260              0.3877700        
 10      0.1051000              0.4867240        
D   10
  1    238.0090000             -0.0005750        
  2     71.1896000             -0.0051570        
  3     27.3946000             -0.0259290        
  4     11.7173000             -0.0880590        
  5      5.3248000             -0.2311790        
  6      2.5169800             -0.3383520        
  7      1.1907500             -0.0850300        
  8      0.5518090              0.6267990        
  9      0.2469260              0.3834730        
 10      0.1051000             -0.6102620        
D   10
  1    238.0090000              0.0007340        
  2     71.1896000              0.0072580        
  3     27.3946000              0.0339580        
  4     11.7173000              0.1298550        
  5      5.3248000              0.3316480        
  6      2.5169800              0.3569830        
  7      1.1907500             -0.6934390        
  8      0.5518090             -0.5768500        
  9      0.2469260              1.2280290        
 10      0.1051000             -0.3167410        
D   1
  1      0.0413930              1.0000000        
D   1
  1      0.0163000              1.0000000        
F   1
  1      3.0648000              1.0000000        
F   1
  1      0.8840000              1.0000000        
F   1
  1      0.2550000              1.0000000        
F   1
  1      0.0818500              1.0000000        
G   1
  1      2.1538000              1.0000000        
G   1
  1      0.5645000              1.0000000        
G   1
  1      0.1933900              1.0000000        
H   1
  1      1.3165000              1.0000000        
H   1
  1      0.4711900              1.0000000        


name: aug-cc-pVQZ
description: VQZ3PD Valence Quadruple Zeta + Polarization + Diffuse
elt: Cr
data:
CHROMIUM
S   21
  1 11016640.0000000            2.002522E-06     
  2 1649423.0000000             1.557145E-05     
  3 375358.9000000              8.192146E-05     
  4 106323.6000000              0.0003460132     
  5  34689.7600000              0.001260141      
  6  12524.8300000              0.004099273      
  7   4885.7520000              0.01213424       
  8   2026.9180000              0.03271636       
  9    884.3645000              0.07912296       
 10    402.3170000              0.1638397        
 11    189.5271000              0.2655107        
 12     91.8609500              0.2789671        
 13     45.1247600              0.1444466        
 14     20.6251200              0.06941606       
 15     10.3197300              0.1195153        
 16      5.1577230              0.08084582       
 17      2.3126280              0.009975024      
 18      1.1030790             -0.000286577      
 19      0.4980420              0.0001176051     
 20      0.1182470             -2.164013E-05     
 21      0.0573560              5.032702E-05     
S   21
  1 11016640.0000000           -1.118844E-06     
  2 1649423.0000000            -8.70279E-06      
  3 375358.9000000             -4.576974E-05     
  4 106323.6000000             -0.0001934803     
  5  34689.7600000             -0.0007046922     
  6  12524.8300000             -0.002299139      
  7   4885.7520000             -0.006833193      
  8   2026.9180000             -0.01866493       
  9    884.3645000             -0.04624835       
 10    402.3170000             -0.1013820        
 11    189.5271000             -0.1839390        
 12     91.8609500             -0.2469356        
 13     45.1247600             -0.1597390        
 14     20.6251200              0.1940936        
 15     10.3197300              0.5461479        
 16      5.1577230              0.3610571        
 17      2.3126280              0.04658647       
 18      1.1030790             -0.003493969      
 19      0.4980420              0.0002600074     
 20      0.1182470             -0.00024401       
 21      0.0573560              0.0003266435     
S   21
  1 11016640.0000000            2.358227E-07     
  2 1649423.0000000             1.83614E-06      
  3 375358.9000000              9.643686E-06     
  4 106323.6000000              4.085166E-05     
  5  34689.7600000              0.0001485404     
  6  12524.8300000              0.0004868639     
  7   4885.7520000              0.001448156      
  8   2026.9180000              0.004010503      
  9    884.3645000              0.01009579       
 10    402.3170000              0.02321493       
 11    189.5271000              0.04524056       
 12     91.8609500              0.07025001       
 13     45.1247600              0.05032135       
 14     20.6251200             -0.09350992       
 15     10.3197300             -0.3650249        
 16      5.1577230             -0.3530889        
 17      2.3126280              0.2829720        
 18      1.1030790              0.7001955        
 19      0.4980420              0.3067473        
 20      0.1182470              0.01083139       
 21      0.0573560             -0.001458427      
S   21
  1 11016640.0000000           -5.343793E-08     
  2 1649423.0000000            -4.166295E-07     
  3 375358.9000000             -2.183977E-06     
  4 106323.6000000             -9.275174E-06     
  5  34689.7600000             -3.361788E-05     
  6  12524.8300000             -0.0001106225     
  7   4885.7520000             -0.0003275214     
  8   2026.9180000             -0.0009122671     
  9    884.3645000             -0.002281936      
 10    402.3170000             -0.005294506      
 11    189.5271000             -0.01022548       
 12     91.8609500             -0.01618464       
 13     45.1247600             -0.01124211       
 14     20.6251200              0.02096236       
 15     10.3197300              0.09050667       
 16      5.1577230              0.08642079       
 17      2.3126280             -0.0785363        
 18      1.1030790             -0.2526007        
 19      0.4980420             -0.2133579        
 20      0.1182470              0.3577908        
 21      0.0573560              0.5691145        
S   21
  1 11016640.0000000           -1.038573E-07     
  2 1649423.0000000            -8.291687E-07     
  3 375358.9000000             -4.198902E-06     
  4 106323.6000000             -1.865777E-05     
  5  34689.7600000             -6.386131E-05     
  6  12524.8300000             -0.0002252576     
  7   4885.7520000             -0.0006131653     
  8   2026.9180000             -0.001886356      
  9    884.3645000             -0.004185316      
 10    402.3170000             -0.01123172       
 11    189.5271000             -0.01791544       
 12     91.8609500             -0.03714198       
 13     45.1247600             -0.01126485       
 14     20.6251200              0.01522975       
 15     10.3197300              0.2458640        
 16      5.1577230              0.07882802       
 17      2.3126280             -0.01862956       
 18      1.1030790             -1.0962620        
 19      0.4980420              0.5510966        
 20      0.1182470              1.8947270        
 21      0.0573560             -1.3157730        
S   21
  1 11016640.0000000           -1.671645E-07     
  2 1649423.0000000            -1.331951E-06     
  3 375358.9000000             -6.764614E-06     
  4 106323.6000000             -2.994507E-05     
  5  34689.7600000             -0.000102993      
  6  12524.8300000             -0.0003611865     
  7   4885.7520000             -0.0009903414     
  8   2026.9180000             -0.003022002      
  9    884.3645000             -0.006778242      
 10    402.3170000             -0.01798719       
 11    189.5271000             -0.02926094       
 12     91.8609500             -0.05950832       
 13     45.1247600             -0.02030054       
 14     20.6251200              0.02995049       
 15     10.3197300              0.4202560        
 16      5.1577230              0.1844826        
 17      2.3126280             -0.4526654        
 18      1.1030790             -1.8921570        
 19      0.4980420              2.8485940        
 20      0.1182470             -1.1247750        
 21      0.0573560             -0.9810669        
S   21
  1 11016640.0000000           -2.018526E-07     
  2 1649423.0000000            -1.476099E-06     
  3 375358.9000000             -8.479016E-06     
  4 106323.6000000             -3.186673E-05     
  5  34689.7600000             -0.0001344019     
  6  12524.8300000             -0.0003665342     
  7   4885.7520000             -0.001355222      
  8   2026.9180000             -0.002884635      
  9    884.3645000             -0.009908511      
 10    402.3170000             -0.01547488       
 11    189.5271000             -0.04925232       
 12     91.8609500             -0.03533906       
 13     45.1247600             -0.09963499       
 14     20.6251200              0.2140183        
 15     10.3197300              0.2137561        
 16      5.1577230              0.8609798        
 17      2.3126280             -2.9258430        
 18      1.1030790              1.9665580        
 19      0.4980420              0.7515651        
 20      0.1182470             -4.1073970        
 21      0.0573560              5.7017810        
S   1
  1      0.0257600              1.0000000        
S   1
  1      0.0115700              1.0000000        
P   17
  1  31539.8900000              0.0000110        
  2   7460.2340000              0.0001000        
  3   2422.6220000              0.0005870        
  4    927.7547000              0.0026670        
  5    394.8041000              0.0099910        
  6    180.8027000              0.0314930        
  7     87.4239300              0.0832660        
  8     44.0342700              0.1773280        
  9     22.7770400              0.2892300        
 10     12.0154700              0.3296730        
 11      6.4117510              0.2108870        
 12      3.3811360              0.0551740        
 13      1.7470540              0.0022300        
 14      0.8850040             -0.0012840        
 15      0.4330280             -0.0008540        
 16      0.1734150             -0.0000460        
 17      0.0726080             -0.0000120        
P   17
  1  31539.8900000             -0.0000040        
  2   7460.2340000             -0.0000350        
  3   2422.6220000             -0.0002030        
  4    927.7547000             -0.0009260        
  5    394.8041000             -0.0034870        
  6    180.8027000             -0.0111410        
  7     87.4239300             -0.0301280        
  8     44.0342700             -0.0664840        
  9     22.7770400             -0.1128540        
 10     12.0154700             -0.1367850        
 11      6.4117510             -0.0500570        
 12      3.3811360              0.1884690        
 13      1.7470540              0.4004550        
 14      0.8850040              0.3843320        
 15      0.4330280              0.1695200        
 16      0.1734150              0.0182570        
 17      0.0726080             -0.0007430        
P   17
  1  31539.8900000              0.0000010        
  2   7460.2340000              0.0000080        
  3   2422.6220000              0.0000480        
  4    927.7547000              0.0002180        
  5    394.8041000              0.0008270        
  6    180.8027000              0.0026260        
  7     87.4239300              0.0071720        
  8     44.0342700              0.0157380        
  9     22.7770400              0.0271540        
 10     12.0154700              0.0326310        
 11      6.4117510              0.0114930        
 12      3.3811360             -0.0560770        
 13      1.7470540             -0.1142520        
 14      0.8850040             -0.1337370        
 15      0.4330280              0.0034730        
 16      0.1734150              0.3451660        
 17      0.0726080              0.5418440        
P   17
  1  31539.8900000              0.0000010        
  2   7460.2340000              0.0000100        
  3   2422.6220000              0.0000610        
  4    927.7547000              0.0002770        
  5    394.8041000              0.0010410        
  6    180.8027000              0.0033380        
  7     87.4239300              0.0090130        
  8     44.0342700              0.0200130        
  9     22.7770400              0.0340000        
 10     12.0154700              0.0419930        
 11      6.4117510              0.0138040        
 12      3.3811360             -0.0662750        
 13      1.7470540             -0.1461070        
 14      0.8850040             -0.1694750        
 15      0.4330280             -0.0285870        
 16      0.1734150              0.5663070        
 17      0.0726080              0.5156880        
P   17
  1  31539.8900000              0.0000030        
  2   7460.2340000              0.0000210        
  3   2422.6220000              0.0001340        
  4    927.7547000              0.0005590        
  5    394.8041000              0.0022970        
  6    180.8027000              0.0067270        
  7     87.4239300              0.0199900        
  8     44.0342700              0.0397890        
  9     22.7770400              0.0784260        
 10     12.0154700              0.0798820        
 11      6.4117510              0.0609720        
 12      3.3811360             -0.2226880        
 13      1.7470540             -0.3668130        
 14      0.8850040             -0.4471090        
 15      0.4330280              1.1518010        
 16      0.1734150              0.4413050        
 17      0.0726080             -0.9140660        
P   17
  1  31539.8900000             -0.0000030        
  2   7460.2340000             -0.0000310        
  3   2422.6220000             -0.0001500        
  4    927.7547000             -0.0008150        
  5    394.8041000             -0.0025830        
  6    180.8027000             -0.0098130        
  7     87.4239300             -0.0221160        
  8     44.0342700             -0.0602960        
  9     22.7770400             -0.0781870        
 10     12.0154700             -0.1674430        
 11      6.4117510             -0.0135230        
 12      3.3811360              0.3066960        
 13      1.7470540              1.0907830        
 14      0.8850040             -1.2345450        
 15      0.4330280             -0.9015550        
 16      0.1734150              2.0482660        
 17      0.0726080             -1.1039840        
P   1
  1      0.0299150              1.0000000        
P   1
  1      0.0123300              1.0000000        
D   10
  1    268.0400000              0.0003600        
  2     80.2223000              0.0032360        
  3     30.8950000              0.0161530        
  4     13.2481000              0.0534180        
  5      6.0407700              0.1335240        
  6      2.8615900              0.2386370        
  7      1.3554500              0.3094550        
  8      0.6282480              0.3056910        
  9      0.2806230              0.2182890        
 10      0.1186680              0.0896930        
D   10
  1    268.0400000             -0.0004070        
  2     80.2223000             -0.0036770        
  3     30.8950000             -0.0184220        
  4     13.2481000             -0.0620500        
  5      6.0407700             -0.1589460        
  6      2.8615900             -0.2629000        
  7      1.3554500             -0.2438830        
  8      0.6282480              0.0377400        
  9      0.2806230              0.4270640        
 10      0.1186680              0.4428120        
D   10
  1    268.0400000             -0.0005820        
  2     80.2223000             -0.0052760        
  3     30.8950000             -0.0267230        
  4     13.2481000             -0.0920120        
  5      6.0407700             -0.2423410        
  6      2.8615900             -0.3383560        
  7      1.3554500             -0.0138860        
  8      0.6282480              0.6731700        
  9      0.2806230              0.2610890        
 10      0.1186680             -0.6613960        
D   10
  1    268.0400000              0.0008280        
  2     80.2223000              0.0080720        
  3     30.8950000              0.0389600        
  4     13.2481000              0.1497060        
  5      6.0407700              0.3879330        
  6      2.8615900              0.2970340        
  7      1.3554500             -0.8758060        
  8      0.6282480             -0.2958520        
  9      0.2806230              1.2044240        
 10      0.1186680             -0.5298930        
D   1
  1      0.0459310              1.0000000        
D   1
  1      0.0177800              1.0000000        
F   1
  1      3.7611000              1.0000000        
F   1
  1      1.0928000              1.0000000        
F   1
  1      0.3175000              1.0000000        
F   1
  1      0.1037300              1.0000000        
G   1
  1      2.6143000              1.0000000        
G   1
  1      0.6951000              1.0000000        
G   1
  1      0.2454500              1.0000000        
H   1
  1      1.6775000              1.0000000        
H   1
  1      0.6329200              1.0000000        


name: aug-cc-pVQZ
description: VQZ3PD Valence Quadruple Zeta + Polarization + Diffuse
elt: Mn
data:
MANGANESE
S   21
  1 12210500.0000000            2.018537E-06     
  2 1828157.0000000             1.569638E-05     
  3 416030.3000000              8.257853E-05     
  4 117843.6000000              0.0003488107     
  5  38448.1400000              0.001270414      
  6  13881.7100000              0.004133905      
  7   5415.0020000              0.01224366       
  8   2246.4600000              0.0330604        
  9    980.1463000              0.08019877       
 10    445.8952000              0.1671550        
 11    210.0558000              0.2743977        
 12    101.8046000              0.2963690        
 13     50.0112600              0.1592852        
 14     22.9393900              0.05681818       
 15     11.5226400              0.0827899        
 16      5.7763380              0.05840628       
 17      2.6259590              0.007343047      
 18      1.2603220             -0.0002934793     
 19      0.5771300             -4.562245E-05     
 20      0.1365820             -9.934988E-06     
 21      0.0635350              2.391143E-05     
S   21
  1 12210500.0000000           -9.633574E-07     
  2 1828157.0000000            -7.493672E-06     
  3 416030.3000000             -3.941004E-05     
  4 117843.6000000             -0.0001666155     
  5  38448.1400000             -0.0006069041     
  6  13881.7100000             -0.001981108      
  7   5415.0020000             -0.005893486      
  8   2246.4600000             -0.01613849       
  9    980.1463000             -0.04018929       
 10    445.8952000             -0.08903423       
 11    210.0558000             -0.1646993        
 12    101.8046000             -0.2288840        
 13     50.0112600             -0.1560684        
 14     22.9393900              0.1882585        
 15     11.5226400              0.5512725        
 16      5.7763380              0.3755111        
 17      2.6259590              0.05061607       
 18      1.2603220             -0.004926193      
 19      0.5771300             -0.0006126838     
 20      0.1365820             -0.0002821975     
 21      0.0635350              0.0003009192     
S   21
  1 12210500.0000000            2.316977E-07     
  2 1828157.0000000             1.803633E-06     
  3 416030.3000000              9.476176E-06     
  4 117843.6000000              4.012553E-05     
  5  38448.1400000              0.000145987      
  6  13881.7100000              0.0004782368     
  7   5415.0020000              0.001424063      
  8   2246.4600000              0.003942807      
  9    980.1463000              0.009952411      
 10    445.8952000              0.0229242        
 11    210.0558000              0.04501638       
 12    101.8046000              0.07048742       
 13     50.0112600              0.05291064       
 14     22.9393900             -0.08983951       
 15     11.5226400             -0.3626155        
 16      5.7763380             -0.3621266        
 17      2.6259590              0.2656979        
 18      1.2603220              0.6892091        
 19      0.5771300              0.3337072        
 20      0.1365820              0.01594677       
 21      0.0635350             -0.004614546      
S   21
  1 12210500.0000000           -5.127786E-08     
  2 1828157.0000000            -3.991995E-07     
  3 416030.3000000             -2.097137E-06     
  4 117843.6000000             -8.881375E-06     
  5  38448.1400000             -3.230705E-05     
  6  13881.7100000             -0.0001058611     
  7   5415.0020000             -0.0003151614     
  8   2246.4600000             -0.0008730066     
  9    980.1463000             -0.002203528      
 10    445.8952000             -0.005081761      
 11    210.0558000             -0.009988834      
 12    101.8046000             -0.01570961       
 13     50.0112600             -0.01183955       
 14     22.9393900              0.02031039       
 15     11.5226400              0.08593055       
 16      5.7763380              0.08897427       
 17      2.6259590             -0.07678891       
 18      1.2603220             -0.2261750        
 19      0.5771300             -0.2271869        
 20      0.1365820              0.3003127        
 21      0.0635350              0.5953419        
S   21
  1 12210500.0000000           -1.017421E-07     
  2 1828157.0000000            -8.110718E-07     
  3 416030.3000000             -4.116344E-06     
  4 117843.6000000             -1.823899E-05     
  5  38448.1400000             -6.265924E-05     
  6  13881.7100000             -0.0002200741     
  7   5415.0020000             -0.0006024678     
  8   2246.4600000             -0.0018430        
  9    980.1463000             -0.004127938      
 10    445.8952000             -0.01100471       
 11    210.0558000             -0.0179012        
 12    101.8046000             -0.03676227       
 13     50.0112600             -0.01301427       
 14     22.9393900              0.01478153       
 15     11.5226400              0.2391713        
 16      5.7763380              0.08964957       
 17      2.6259590             -0.01299627       
 18      1.2603220             -1.0513300        
 19      0.5771300              0.4478536        
 20      0.1365820              1.8048060        
 21      0.0635350             -1.0710260        
S   21
  1 12210500.0000000           -1.64232E-07      
  2 1828157.0000000            -1.314241E-06     
  3 416030.3000000             -6.63284E-06      
  4 117843.6000000             -2.96042E-05      
  5  38448.1400000             -0.0001007673     
  6  13881.7100000             -0.0003579039     
  7   5415.0020000             -0.0009666897     
  8   2246.4600000             -0.003005179      
  9    980.1463000             -0.006605816      
 10    445.8952000             -0.0180382        
 11    210.0558000             -0.02853084       
 12    101.8046000             -0.06124413       
 13     50.0112600             -0.01893791       
 14     22.9393900              0.01888653       
 15     11.5226400              0.4329357        
 16      5.7763380              0.1661622        
 17      2.6259590             -0.3401427        
 18      1.2603220             -2.0393200        
 19      0.5771300              2.7946610        
 20      0.1365820             -0.7303582        
 21      0.0635350             -1.4080030        
S   21
  1 12210500.0000000           -2.001522E-07     
  2 1828157.0000000            -1.478765E-06     
  3 416030.3000000             -8.372432E-06     
  4 117843.6000000             -3.208892E-05     
  5  38448.1400000             -0.0001321413     
  6  13881.7100000             -0.0003714493     
  7   5415.0020000             -0.001326456      
  8   2246.4600000             -0.002951265      
  9    980.1463000             -0.009655762      
 10    445.8952000             -0.01616919       
 11    210.0558000             -0.04776647       
 12    101.8046000             -0.04049212       
 13     50.0112600             -0.09389925       
 14     22.9393900              0.1920182        
 15     11.5226400              0.2440487        
 16      5.7763380              0.8589060        
 17      2.6259590             -2.7931450        
 18      1.2603220              1.5640690        
 19      0.5771300              1.1184620        
 20      0.1365820             -4.0546640        
 21      0.0635350              5.4620540        
S   1
  1      0.0285210              1.0000000        
S   1
  1      0.0128000              1.0000000        
P   17
  1  35005.1200000              0.0000110        
  2   8279.4620000              0.0000980        
  3   2688.4650000              0.0005720        
  4   1029.4900000              0.0026040        
  5    438.0708000              0.0097790        
  6    200.6153000              0.0309380        
  7     97.0076900              0.0821940        
  8     48.8705200              0.1761490        
  9     25.2928100              0.2891330        
 10     13.3538200              0.3309560        
 11      7.1317860              0.2122180        
 12      3.7643650              0.0552270        
 13      1.9462650              0.0012070        
 14      0.9854550             -0.0023550        
 15      0.4818650             -0.0013200        
 16      0.1892120             -0.0000940        
 17      0.0779800             -0.0000070        
P   17
  1  35005.1200000             -0.0000040        
  2   8279.4620000             -0.0000340        
  3   2688.4650000             -0.0001990        
  4   1029.4900000             -0.0009070        
  5    438.0708000             -0.0034250        
  6    200.6153000             -0.0109850        
  7     97.0076900             -0.0298560        
  8     48.8705200             -0.0663660        
  9     25.2928100             -0.1135040        
 10     13.3538200             -0.1379910        
 11      7.1317860             -0.0493550        
 12      3.7643650              0.1912420        
 13      1.9462650              0.4023550        
 14      0.9854550              0.3821160        
 15      0.4818650              0.1681990        
 16      0.1892120              0.0179050        
 17      0.0779800             -0.0009580        
P   17
  1  35005.1200000             -0.0000010        
  2   8279.4620000             -0.0000080        
  3   2688.4650000             -0.0000460        
  4   1029.4900000             -0.0002080        
  5    438.0708000             -0.0007920        
  6    200.6153000             -0.0025220        
  7     97.0076900             -0.0069280        
  8     48.8705200             -0.0152920        
  9     25.2928100             -0.0266110        
 10     13.3538200             -0.0319780        
 11      7.1317860             -0.0112220        
 12      3.7643650              0.0549880        
 13      1.9462650              0.1104650        
 14      0.9854550              0.1281620        
 15      0.4818650             -0.0029800        
 16      0.1892120             -0.3368240        
 17      0.0779800             -0.5424410        
P   17
  1  35005.1200000              0.0000010        
  2   8279.4620000              0.0000100        
  3   2688.4650000              0.0000610        
  4   1029.4900000              0.0002780        
  5    438.0708000              0.0010520        
  6    200.6153000              0.0033660        
  7     97.0076900              0.0091930        
  8     48.8705200              0.0204040        
  9     25.2928100              0.0352770        
 10     13.3538200              0.0429860        
 11      7.1317860              0.0147830        
 12      3.7643650             -0.0708510        
 13      1.9462650             -0.1488630        
 14      0.9854550             -0.1726610        
 15      0.4818650             -0.0048570        
 16      0.1892120              0.5718810        
 17      0.0779800              0.5013280        
P   17
  1  35005.1200000              0.0000030        
  2   8279.4620000              0.0000210        
  3   2688.4650000              0.0001380        
  4   1029.4900000              0.0005680        
  5    438.0708000              0.0023680        
  6    200.6153000              0.0068870        
  7     97.0076900              0.0208050        
  8     48.8705200              0.0412070        
  9     25.2928100              0.0829490        
 10     13.3538200              0.0823300        
 11      7.1317860              0.0676490        
 12      3.7643650             -0.2505870        
 13      1.9462650             -0.3787840        
 14      0.9854550             -0.3965170        
 15      0.4818650              1.1501120        
 16      0.1892120              0.3830850        
 17      0.0779800             -0.8923280        
P   17
  1  35005.1200000             -0.0000030        
  2   8279.4620000             -0.0000320        
  3   2688.4650000             -0.0001650        
  4   1029.4900000             -0.0008520        
  5    438.0708000             -0.0028640        
  6    200.6153000             -0.0103380        
  7     97.0076900             -0.0249200        
  8     48.8705200             -0.0639080        
  9     25.2928100             -0.0917040        
 10     13.3538200             -0.1688330        
 11      7.1317860             -0.0457170        
 12      3.7643650              0.4475430        
 13      1.9462650              1.0445440        
 14      0.9854550             -1.4857210        
 15      0.4818650             -0.5306040        
 16      0.1892120              1.8217180        
 17      0.0779800             -1.0684500        
P   1
  1      0.0316850              1.0000000        
P   1
  1      0.0128700              1.0000000        
D   10
  1    301.4270000              0.0003610        
  2     90.3288000              0.0032590        
  3     34.8337000              0.0164190        
  4     14.9770000              0.0547600        
  5      6.8498300              0.1367270        
  6      3.2521700              0.2424190        
  7      1.5430900              0.3103760        
  8      0.7156410              0.3021700        
  9      0.3193230              0.2135730        
 10      0.1344280              0.0890940        
D   10
  1    301.4270000             -0.0003670        
  2     90.3288000             -0.0033310        
  3     34.8337000             -0.0168130        
  4     14.9770000             -0.0569290        
  5      6.8498300             -0.1457700        
  6      3.2521700             -0.2466730        
  7      1.5430900             -0.2342270        
  8      0.7156410              0.0233200        
  9      0.3193230              0.3875770        
 10      0.1344280              0.4676950        
D   10
  1    301.4270000             -0.0005810        
  2     90.3288000             -0.0053040        
  3     34.8337000             -0.0270190        
  4     14.9770000             -0.0940670        
  5      6.8498300             -0.2469380        
  6      3.2521700             -0.3420510        
  7      1.5430900             -0.0146210        
  8      0.7156410              0.6120700        
  9      0.3193230              0.3201120        
 10      0.1344280             -0.5609790        
D   10
  1    301.4270000             -0.0007460        
  2     90.3288000             -0.0068580        
  3     34.8337000             -0.0350360        
  4     14.9770000             -0.1265920        
  5      6.8498300             -0.3598640        
  6      3.2521700             -0.3065310        
  7      1.5430900              0.7526320        
  8      0.7156410              0.4176590        
  9      0.3193230             -1.0728320        
 10      0.1344280              0.2000430        
D   1
  1      0.0515700              1.0000000        
D   1
  1      0.0197800              1.0000000        
F   1
  1      4.4646000              1.0000000        
F   1
  1      1.3133000              1.0000000        
F   1
  1      0.3863000              1.0000000        
F   1
  1      0.1282900              1.0000000        
G   1
  1      3.1668000              1.0000000        
G   1
  1      0.8651000              1.0000000        
G   1
  1      0.3184100              1.0000000        
H   1
  1      2.0003000              1.0000000        
H   1
  1      0.7767100              1.0000000        


name: aug-cc-pVQZ
description: VQZ3PD Valence Quadruple Zeta + Polarization + Diffuse
elt: Fe
data:
IRON
S   21
  1      0.1327714E+08          1.976511E-06     
  2 1987888.0000000             1.536912E-05     
  3 452387.1000000              8.085571E-05     
  4 128143.7000000              0.0003415253     
  5  41809.1700000              0.001243883      
  6  15095.3300000              0.004047547      
  7   5888.4380000              0.01198848       
  8   2442.8760000              0.03237358       
  9   1065.8570000              0.07854828       
 10    484.9096000              0.1637396        
 11    228.4585000              0.2687335        
 12    110.7453000              0.2896317        
 13     54.4311600              0.1554235        
 14     25.0109600              0.06284331       
 15     12.5926200              0.09927972       
 16      6.3232020              0.06931444       
 17      2.8833840              0.008885666      
 18      1.3828680             -0.00027762       
 19      0.6322010              1.27159E-06      
 20      0.1492380             -1.537759E-05     
 21      0.0684940              2.552339E-05     
S   21
  1      0.1327714E+08         -1.020185E-06     
  2 1987888.0000000            -7.935347E-06     
  3 452387.1000000             -4.173309E-05     
  4 128143.7000000             -0.0001764249     
  5  41809.1700000             -0.0006426379     
  6  15095.3300000             -0.00209744       
  7   5888.4380000             -0.00623875       
  8   2442.8760000             -0.01707492       
  9   1065.8570000             -0.0424857        
 10    484.9096000             -0.09392294       
 11    228.4585000             -0.1730554        
 12    110.7453000             -0.2386626        
 13     54.4311600             -0.1623971        
 14     25.0109600              0.1869345        
 15     12.5926200              0.5495686        
 16      6.3232020              0.3723118        
 17      2.8833840              0.05057065       
 18      1.3828680             -0.004072645      
 19      0.6322010             -0.0002732199     
 20      0.1492380             -0.0002612296     
 21      0.0684940              0.0002547393     
S   21
  1      0.1327714E+08          2.340322E-07     
  2 1987888.0000000             1.821727E-06     
  3 452387.1000000              9.571315E-06     
  4 128143.7000000              4.052652E-05     
  5  41809.1700000              0.0001474531     
  6  15095.3300000              0.0004830333     
  7   5888.4380000              0.001438609      
  8   2442.8760000              0.003983915      
  9   1065.8570000              0.01006355       
 10    484.9096000              0.0232061        
 11    228.4585000              0.0456678        
 12    110.7453000              0.07169322       
 13     54.4311600              0.05421018       
 14     25.0109600             -0.09163776       
 15     12.5926200             -0.3693219        
 16      6.3232020             -0.3616033        
 17      2.8833840              0.2734191        
 18      1.3828680              0.6889090        
 19      0.6322010              0.3294179        
 20      0.1492380              0.01558687       
 21      0.0684940             -0.004161049      
S   21
  1      0.1327714E+08         -5.062297E-08     
  2 1987888.0000000            -3.940586E-07     
  3 452387.1000000             -2.07034E-06      
  4 128143.7000000             -8.766406E-06     
  5  41809.1700000             -3.189537E-05     
  6  15095.3300000             -0.0001044911     
  7   5888.4380000             -0.0003112113     
  8   2442.8760000             -0.0008620181     
  9   1065.8570000             -0.002178129      
 10    484.9096000             -0.00502697       
 11    228.4585000             -0.009908113      
 12    110.7453000             -0.01561357       
 13     54.4311600             -0.01187731       
 14     25.0109600              0.02031246       
 15     12.5926200              0.08560291       
 16      6.3232020              0.08702717       
 17      2.8833840             -0.07758197       
 18      1.3828680             -0.2214919        
 19      0.6322010             -0.2196263        
 20      0.1492380              0.2869893        
 21      0.0684940              0.5927434        
S   21
  1      0.1327714E+08         -9.957952E-08     
  2 1987888.0000000            -7.925506E-07     
  3 452387.1000000             -4.031635E-06     
  4 128143.7000000             -1.780938E-05     
  5  41809.1700000             -6.14201E-05      
  6  15095.3300000             -0.00021473       
  7   5888.4380000             -0.0005912544     
  8   2442.8760000             -0.001797193      
  9   1065.8570000             -0.004061089      
 10    484.9096000             -0.01073419       
 11    228.4585000             -0.01773464       
 12    110.7453000             -0.03586338       
 13     54.4311600             -0.01374002       
 14     25.0109600              0.01645324       
 15     12.5926200              0.2322749        
 16      6.3232020              0.09256802       
 17      2.8833840             -0.03322957       
 18      1.3828680             -0.9860290        
 19      0.6322010              0.4046445        
 20      0.1492380              1.6888890        
 21      0.0684940             -0.8479093        
S   21
  1      0.1327714E+08         -1.678013E-07     
  2 1987888.0000000            -1.337004E-06     
  3 452387.1000000             -6.790249E-06     
  4 128143.7000000             -3.005871E-05     
  5  41809.1700000             -0.0001033899     
  6  15095.3300000             -0.0003626365     
  7   5888.4380000             -0.0009947359     
  8   2442.8760000             -0.003038134      
  9   1065.8570000             -0.006831095      
 10    484.9096000             -0.01819172       
 11    228.4585000             -0.02987575       
 12    110.7453000             -0.06129076       
 13     54.4311600             -0.02302594       
 14     25.0109600              0.02701671       
 15     12.5926200              0.4229967        
 16      6.3232020              0.2153088        
 17      2.8833840             -0.4343164        
 18      1.3828680             -1.9503480        
 19      0.6322010              2.7202330        
 20      0.1492380             -0.6123241        
 21      0.0684940             -1.4683290        
S   21
  1      0.1327714E+08         -1.97919E-07      
  2 1987888.0000000            -1.454458E-06     
  3 452387.1000000             -8.296892E-06     
  4 128143.7000000             -3.147678E-05     
  5  41809.1700000             -0.0001312505     
  6  15095.3300000             -0.0003631851     
  7   5888.4380000             -0.001321103      
  8   2442.8760000             -0.002874345      
  9   1065.8570000             -0.009655667      
 10    484.9096000             -0.01565078       
 11    228.4585000             -0.0481821        
 12    110.7453000             -0.03801945       
 13     54.4311600             -0.09789664       
 14     25.0109600              0.1990898        
 15     12.5926200              0.2020013        
 16      6.3232020              0.9776064        
 17      2.8833840             -3.0035790        
 18      1.3828680              1.8016620        
 19      0.6322010              0.9747971        
 20      0.1492380             -3.8975570        
 21      0.0684940              5.2279090        
S   1
  1      0.0303810              1.0000000        
S   1
  1      0.0134800              1.0000000        
P   17
  1  38282.0500000              0.0000110        
  2   9061.5560000              0.0000970        
  3   2944.4500000              0.0005660        
  4   1128.1580000              0.0025750        
  5    480.3380000              0.0096760        
  6    220.1368000              0.0306440        
  7    106.5482000              0.0815530        
  8     53.7426200              0.1752450        
  9     27.8631800              0.2884650        
 10     14.7438200              0.3307340        
 11      7.8933510              0.2127700        
 12      4.1794970              0.0562030        
 13      2.1656690              0.0018070        
 14      1.0972400             -0.0019990        
 15      0.5360850             -0.0011550        
 16      0.2023740             -0.0000790        
 17      0.0817420             -0.0000030        
P   17
  1  38282.0500000             -0.0000040        
  2   9061.5560000             -0.0000340        
  3   2944.4500000             -0.0001990        
  4   1128.1580000             -0.0009110        
  5    480.3380000             -0.0034370        
  6    220.1368000             -0.0110420        
  7    106.5482000             -0.0300610        
  8     53.7426200             -0.0670490        
  9     27.8631800             -0.1150700        
 10     14.7438200             -0.1399170        
 11      7.8933510             -0.0494800        
 12      4.1794970              0.1917090        
 13      2.1656690              0.4030120        
 14      1.0972400              0.3807170        
 15      0.5360850              0.1693050        
 16      0.2023740              0.0178720        
 17      0.0817420             -0.0014330        
P   17
  1  38282.0500000              0.0000010        
  2   9061.5560000              0.0000070        
  3   2944.4500000              0.0000440        
  4   1128.1580000              0.0001970        
  5    480.3380000              0.0007510        
  6    220.1368000              0.0023910        
  7    106.5482000              0.0065950        
  8     53.7426200              0.0145700        
  9     27.8631800              0.0255290        
 10     14.7438200              0.0304850        
 11      7.8933510              0.0108530        
 12      4.1794970             -0.0523850        
 13      2.1656690             -0.1032710        
 14      1.0972400             -0.1212410        
 15      0.5360850              0.0008400        
 16      0.2023740              0.3272880        
 17      0.0817420              0.5442260        
P   17
  1  38282.0500000              0.0000010        
  2   9061.5560000              0.0000110        
  3   2944.4500000              0.0000660        
  4   1128.1580000              0.0002950        
  5    480.3380000              0.0011340        
  6    220.1368000              0.0035850        
  7    106.5482000              0.0099500        
  8     53.7426200              0.0218100        
  9     27.8631800              0.0386610        
 10     14.7438200              0.0456280        
 11      7.8933510              0.0179580        
 12      4.1794970             -0.0815930        
 13      2.1656690             -0.1581940        
 14      1.0972400             -0.1890710        
 15      0.5360850              0.0446210        
 16      0.2023740              0.6116920        
 17      0.0817420              0.4461700        
P   17
  1  38282.0500000              0.0000030        
  2   9061.5560000              0.0000220        
  3   2944.4500000              0.0001470        
  4   1128.1580000              0.0005980        
  5    480.3380000              0.0025270        
  6    220.1368000              0.0072600        
  7    106.5482000              0.0223000        
  8     53.7426200              0.0435920        
  9     27.8631800              0.0898240        
 10     14.7438200              0.0863280        
 11      7.8933510              0.0797000        
 12      4.1794970             -0.2943090        
 13      2.1656690             -0.4046430        
 14      1.0972400             -0.3242020        
 15      0.5360850              1.1898370        
 16      0.2023740              0.2280980        
 17      0.0817420             -0.8474340        
P   17
  1  38282.0500000             -0.0000030        
  2   9061.5560000             -0.0000330        
  3   2944.4500000             -0.0001780        
  4   1128.1580000             -0.0008800        
  5    480.3380000             -0.0030750        
  6    220.1368000             -0.0107140        
  7    106.5482000             -0.0269530        
  8     53.7426200             -0.0662790        
  9     27.8631800             -0.1011440        
 10     14.7438200             -0.1704670        
 11      7.8933510             -0.0837750        
 12      4.1794970              0.6056490        
 13      2.1656690              0.9572390        
 14      1.0972400             -1.7348360        
 15      0.5360850             -0.0978650        
 16      0.2023740              1.5748130        
 17      0.0817420             -1.0818170        
P   1
  1      0.0326620              1.0000000        
P   1
  1      0.0130500              1.0000000        
D   10
  1    338.5060000              0.0003560        
  2    101.4920000              0.0032290        
  3     39.1867000              0.0164140        
  4     16.9034000              0.0551330        
  5      7.7629600              0.1375020        
  6      3.6988700              0.2425950        
  7      1.7596300              0.3085230        
  8      0.8166510              0.2998140        
  9      0.3638210              0.2150480        
 10      0.1525410              0.0925770        
D   10
  1    338.5060000             -0.0003910        
  2    101.4920000             -0.0035760        
  3     39.1867000             -0.0181910        
  4     16.9034000             -0.0620900        
  5      7.7629600             -0.1592870        
  6      3.6988700             -0.2697760        
  7      1.7596300             -0.2389970        
  8      0.8166510              0.0619850        
  9      0.3638210              0.4136570        
 10      0.1525410              0.4348780        
D   10
  1    338.5060000             -0.0005650        
  2    101.4920000             -0.0051850        
  3     39.1867000             -0.0266110        
  4     16.9034000             -0.0930790        
  5      7.7629600             -0.2482970        
  6      3.6988700             -0.3498230        
  7      1.7596300              0.0369220        
  8      0.8166510              0.6494720        
  9      0.3638210              0.2342380        
 10      0.1525410             -0.6097450        
D   10
  1    338.5060000             -0.0008160        
  2    101.4920000             -0.0071240        
  3     39.1867000             -0.0385600        
  4     16.9034000             -0.1335670        
  5      7.7629600             -0.4152110        
  6      3.6988700             -0.2793690        
  7      1.7596300              0.9276650        
  8      0.8166510              0.1855890        
  9      0.3638210             -1.0796160        
 10      0.1525410              0.4197090        
D   1
  1      0.0579910              1.0000000        
D   1
  1      0.0220500              1.0000000        
F   1
  1      5.1982000              1.0000000        
F   1
  1      1.5504000              1.0000000        
F   1
  1      0.4624000              1.0000000        
F   1
  1      0.1551400              1.0000000        
G   1
  1      3.7944000              1.0000000        
G   1
  1      1.0668000              1.0000000        
G   1
  1      0.4073800              1.0000000        
H   1
  1      2.3842000              1.0000000        
H   1
  1      0.9587800              1.0000000        


name: aug-cc-pVQZ
description: VQZ3PD Valence Quadruple Zeta + Polarization + Diffuse
elt: Co
data:
COBALT
S   21
  1      0.1437022E+08          1.961579E-06     
  2 2151540.0000000             1.525308E-05     
  3 489625.7000000              8.024671E-05     
  4 138690.3000000              0.0003389582     
  5  45249.8900000              0.001234551      
  6  16337.6200000              0.004017237      
  7   6373.0730000              0.01189936       
  8   2643.9580000              0.03213721       
  9   1153.6140000              0.0779997        
 10    524.8606000              0.1626825        
 11    247.3069000              0.2671849        
 12    119.9063000              0.2881411        
 13     58.9642900              0.1548301        
 14     27.1361600              0.06451896       
 15     13.6891200              0.1030728        
 16      6.8827710              0.07137991       
 17      3.1446470              0.009131332      
 18      1.5062660             -0.0002919679     
 19      0.6872680             -5.581488E-06     
 20      0.1609720             -1.732351E-05     
 21      0.0730170              2.132347E-05     
S   21
  1      0.1437022E+08         -1.032046E-06     
  2 2151540.0000000            -8.027614E-06     
  3 489625.7000000             -4.22193E-05      
  4 138690.3000000             -0.0001784817     
  5  45249.8900000             -0.0006501411     
  6  16337.6200000             -0.002121909      
  7   6373.0730000             -0.006311755      
  8   2643.9580000             -0.01727558       
  9   1153.6140000             -0.04299353       
 10    524.8606000             -0.09507125       
 11    247.3069000             -0.1752212        
 12    119.9063000             -0.2416127        
 13     58.9642900             -0.1645933        
 14     27.1361600              0.1880060        
 15     13.6891200              0.5505157        
 16      6.8827710              0.3701682        
 17      3.1446470              0.05007243       
 18      1.5062660             -0.003975686      
 19      0.6872680             -0.0002896409     
 20      0.1609720             -0.0002552515     
 21      0.0730170              0.0002182807     
S   21
  1      0.1437022E+08          2.357772E-07     
  2 2151540.0000000             1.8353E-06       
  3 489625.7000000              9.642951E-06     
  4 138690.3000000              4.082978E-05     
  5  45249.8900000              0.000148563      
  6  16337.6200000              0.0004866688     
  7   6373.0730000              0.001449618      
  8   2643.9580000              0.004015116      
  9   1153.6140000              0.0101482        
 10    524.8606000              0.02342321       
 11    247.3069000              0.0461722        
 12    119.9063000              0.07262205       
 13     58.9642900              0.0551247        
 14     27.1361600             -0.09356803       
 15     13.6891200             -0.3752066        
 16      6.8827710             -0.3595010        
 17      3.1446470              0.2821187        
 18      1.5062660              0.6882851        
 19      0.6872680              0.3243680        
 20      0.1609720              0.01501498       
 21      0.0730170             -0.003906005      
S   21
  1      0.1437022E+08         -4.98388E-08      
  2 2151540.0000000            -3.879304E-07     
  3 489625.7000000             -2.038379E-06     
  4 138690.3000000             -8.630129E-06     
  5  45249.8900000             -3.140519E-05     
  6  16337.6200000             -0.0001028682     
  7   6373.0730000             -0.0003064776     
  8   2643.9580000             -0.0008488581     
  9   1153.6140000             -0.002146732      
 10    524.8606000             -0.004957499      
 11    247.3069000             -0.009792183      
 12    119.9063000             -0.01545065       
 13     58.9642900             -0.01181794       
 14     27.1361600              0.02031574       
 15     13.6891200              0.08494754       
 16      6.8827710              0.0845587        
 17      3.1446470             -0.07824438       
 18      1.5062660             -0.2161403        
 19      0.6872680             -0.2120657        
 20      0.1609720              0.2777048        
 21      0.0730170              0.5886342        
S   21
  1      0.1437022E+08         -9.633772E-08     
  2 2151540.0000000            -7.654083E-07     
  3 489625.7000000             -3.90364E-06      
  4 138690.3000000             -1.718665E-05     
  5  45249.8900000             -5.95264E-05      
  6  16337.6200000             -0.0002070482     
  7   6373.0730000             -0.0005737293     
  8   2643.9580000             -0.001731567      
  9   1153.6140000             -0.003950029      
 10    524.8606000             -0.01033969       
 11    247.3069000             -0.01736027       
 12    119.9063000             -0.03449074       
 13     58.9642900             -0.0142204        
 14     27.1361600              0.01816713       
 15     13.6891200              0.2219044        
 16      6.8827710              0.09496945       
 17      3.1446470             -0.0535677        
 18      1.5062660             -0.9071045        
 19      0.6872680              0.3491874        
 20      0.1609720              1.5866890        
 21      0.0730170             -0.6425986        
S   21
  1      0.1437022E+08         -1.73362E-07      
  2 2151540.0000000            -1.376434E-06     
  3 489625.7000000             -7.026909E-06     
  4 138690.3000000             -3.089757E-05     
  5  45249.8900000             -0.0001071929     
  6  16337.6200000             -0.0003721161     
  7   6373.0730000             -0.001033758      
  8   2643.9580000             -0.003111602      
  9   1153.6140000             -0.007127428      
 10    524.8606000             -0.01859372       
 11    247.3069000             -0.03148302       
 12    119.9063000             -0.06222078       
 13     58.9642900             -0.02684359       
 14     27.1361600              0.0349936        
 15     13.6891200              0.4220093        
 16      6.8827710              0.2573147        
 17      3.1446470             -0.5363089        
 18      1.5062660             -1.8561120        
 19      0.6872680              2.6514750        
 20      0.1609720             -0.5228775        
 21      0.0730170             -1.4830860        
S   21
  1      0.1437022E+08         -1.968109E-07     
  2 2151540.0000000            -1.439789E-06     
  3 489625.7000000             -8.265947E-06     
  4 138690.3000000             -3.108989E-05     
  5  45249.8900000             -0.0001310184     
  6  16337.6200000             -0.0003577366     
  7   6373.0730000             -0.001321726      
  8   2643.9580000             -0.00282163       
  9   1153.6140000             -0.009692646      
 10    524.8606000             -0.01528143       
 11    247.3069000             -0.04871094       
 12    119.9063000             -0.03611465       
 13     58.9642900             -0.1014559        
 14     27.1361600              0.2059185        
 15     13.6891200              0.1740209        
 16      6.8827710              1.0618960        
 17      3.1446470             -3.1875120        
 18      1.5062660              2.0527300        
 19      0.6872680              0.7962451        
 20      0.1609720             -3.7309490        
 21      0.0730170              5.0181100        
S   1
  1      0.0320710              1.0000000        
S   1
  1      0.0140900              1.0000000        
P   17
  1  41961.4000000              0.0000110        
  2   9928.3060000              0.0000950        
  3   3224.9710000              0.0005570        
  4   1235.2930000              0.0025380        
  5    525.8469000              0.0095540        
  6    240.9762000              0.0303350        
  7    116.6418000              0.0809840        
  8     58.8483400              0.1746920        
  9     30.5291000              0.2885440        
 10     16.1694300              0.3311360        
 11      8.6642360              0.2128970        
 12      4.5919430              0.0562950        
 13      2.3810480              0.0018950        
 14      1.2062460             -0.0019550        
 15      0.5888220             -0.0011260        
 16      0.2246580             -0.0000740        
 17      0.0904360             -0.0000030        
P   17
  1  41961.4000000             -0.0000040        
  2   9928.3060000             -0.0000340        
  3   3224.9710000             -0.0001980        
  4   1235.2930000             -0.0009060        
  5    525.8469000             -0.0034280        
  6    240.9762000             -0.0110390        
  7    116.6418000             -0.0301570        
  8     58.8483400             -0.0675490        
  9     30.5291000             -0.1164660        
 10     16.1694300             -0.1414410        
 11      8.6642360             -0.0487170        
 12      4.5919430              0.1946550        
 13      2.3810480              0.4041480        
 14      1.2062460              0.3789040        
 15      0.5888220              0.1673060        
 16      0.2246580              0.0177190        
 17      0.0904360             -0.0012520        
P   17
  1  41961.4000000              0.0000010        
  2   9928.3060000              0.0000070        
  3   3224.9710000              0.0000440        
  4   1235.2930000              0.0001990        
  5    525.8469000              0.0007600        
  6    240.9762000              0.0024250        
  7    116.6418000              0.0067060        
  8     58.8483400              0.0148900        
  9     30.5291000              0.0261810        
 10     16.1694300              0.0313100        
 11      8.6642360              0.0108480        
 12      4.5919430             -0.0538620        
 13      2.3810480             -0.1061120        
 14      1.2062460             -0.1217750        
 15      0.5888220              0.0038630        
 16      0.2246580              0.3271980        
 17      0.0904360              0.5419610        
P   17
  1  41961.4000000              0.0000010        
  2   9928.3060000              0.0000110        
  3   3224.9710000              0.0000690        
  4   1235.2930000              0.0003080        
  5    525.8469000              0.0011870        
  6    240.9762000              0.0037600        
  7    116.6418000              0.0104780        
  8     58.8483400              0.0230580        
  9     30.5291000              0.0410950        
 10     16.1694300              0.0485290        
 11      8.6642360              0.0188210        
 12      4.5919430             -0.0889830        
 13      2.3810480             -0.1710610        
 14      1.2062460             -0.1897640        
 15      0.5888220              0.0718740        
 16      0.2246580              0.6049170        
 17      0.0904360              0.4357830        
P   17
  1  41961.4000000              0.0000030        
  2   9928.3060000              0.0000230        
  3   3224.9710000              0.0001500        
  4   1235.2930000              0.0006200        
  5    525.8469000              0.0025920        
  6    240.9762000              0.0075710        
  7    116.6418000              0.0230010        
  8     58.8483400              0.0459430        
  9     30.5291000              0.0929370        
 10     16.1694300              0.0934070        
 11      8.6642360              0.0801520        
 12      4.5919430             -0.3177930        
 13      2.3810480             -0.4378130        
 14      1.2062460             -0.2329460        
 15      0.5888220              1.1648970        
 16      0.2246580              0.1731560        
 17      0.0904360             -0.8160710        
P   17
  1  41961.4000000             -0.0000040        
  2   9928.3060000             -0.0000330        
  3   3224.9710000             -0.0001850        
  4   1235.2930000             -0.0008870        
  5    525.8469000             -0.0032040        
  6    240.9762000             -0.0108490        
  7    116.6418000             -0.0283310        
  8     58.8483400             -0.0673690        
  9     30.5291000             -0.1083230        
 10     16.1694300             -0.1719860        
 11      8.6642360             -0.1084480        
 12      4.5919430              0.7416070        
 13      2.3810480              0.8082640        
 14      1.2062460             -1.7802720        
 15      0.5888220              0.0636530        
 16      0.2246580              1.4742420        
 17      0.0904360             -1.0385490        
P   1
  1      0.0358480              1.0000000        
P   1
  1      0.0142100              1.0000000        
D   10
  1    375.3200000              0.0003560        
  2    112.6040000              0.0032390        
  3     43.5190000              0.0165690        
  4     18.8147000              0.0559830        
  5      8.6649100              0.1394030        
  6      4.1371100              0.2443780        
  7      1.9708000              0.3081070        
  8      0.9150070              0.2972660        
  9      0.4073700              0.2136850        
 10      0.1704440              0.0934140        
D   10
  1    375.3200000             -0.0004110        
  2    112.6040000             -0.0037740        
  3     43.5190000             -0.0193160        
  4     18.8147000             -0.0664370        
  5      8.6649100             -0.1705420        
  6      4.1371100             -0.2854770        
  7      1.9708000             -0.2328840        
  8      0.9150070              0.0944710        
  9      0.4073700              0.4201780        
 10      0.1704440              0.4094740        
D   10
  1    375.3200000             -0.0005450        
  2    112.6040000             -0.0050280        
  3     43.5190000             -0.0259450        
  4     18.8147000             -0.0911040        
  5      8.6649100             -0.2453950        
  6      4.1371100             -0.3481600        
  7      1.9708000              0.0700830        
  8      0.9150070              0.6494450        
  9      0.4073700              0.1939420        
 10      0.1704440             -0.6184680        
D   10
  1    375.3200000             -0.0008270        
  2    112.6040000             -0.0070410        
  3     43.5190000             -0.0392680        
  4     18.8147000             -0.1333410        
  5      8.6649100             -0.4342300        
  6      4.1371100             -0.2565540        
  7      1.9708000              0.9662400        
  8      0.9150070              0.1097980        
  9      0.4073700             -1.0470350        
 10      0.1704440              0.4375990        
D   1
  1      0.0643790              1.0000000        
D   1
  1      0.0243200              1.0000000        
F   1
  1      5.9832000              1.0000000        
F   1
  1      1.8045000              1.0000000        
F   1
  1      0.5442000              1.0000000        
F   1
  1      0.1841600              1.0000000        
G   1
  1      4.4514000              1.0000000        
G   1
  1      1.2700000              1.0000000        
G   1
  1      0.4963100              1.0000000        
H   1
  1      2.7959000              1.0000000        
H   1
  1      1.1579100              1.0000000        


name: aug-cc-pVQZ
description: VQZ3PD Valence Quadruple Zeta + Polarization + Diffuse
elt: Ni
data:
NICKEL
S   21
  1 15503020.0000000            2.085023E-06     
  2 2321071.0000000             1.621425E-05     
  3 528180.2000000              8.530773E-05     
  4 149604.0000000              0.0003603793     
  5  48809.0700000              0.001312632      
  6  17622.3900000              0.004272395      
  7   6874.2010000              0.01265994       
  8   2851.8570000              0.03423065       
  9   1244.3340000              0.08326735       
 10    566.1547000              0.1745758        
 11    266.7873000              0.2898023        
 12    129.3752000              0.3207323        
 13     63.6516100              0.1778265        
 14     29.3330200              0.03633007       
 15     14.8221200              0.02089458       
 16      7.4605130              0.01596954       
 17      3.4135760              0.001730245      
 18      1.6328840              0.0004817365     
 19      0.7435790              0.00012468       
 20      0.1725920              2.340378E-05     
 21      0.0774200             -1.348962E-05     
S   21
  1 15503020.0000000           -7.298155E-07     
  2 2321071.0000000            -5.677768E-06     
  3 528180.2000000             -2.985922E-05     
  4 149604.0000000             -0.0001262784     
  5  48809.0700000             -0.0004600252     
  6  17622.3900000             -0.00150323       
  7   6874.2010000             -0.004479171      
  8   2851.8570000             -0.01232512       
  9   1244.3340000             -0.03097639       
 10    566.1547000             -0.06998651       
 11    266.7873000             -0.1339256        
 12    129.3752000             -0.1966881        
 13     63.6516100             -0.1402258        
 14     29.3330200              0.1960730        
 15     14.8221200              0.5564517        
 16      7.4605130              0.3702167        
 17      3.4135760              0.05396034       
 18      1.6328840              0.004706492      
 19      0.7435790              0.003736115      
 20      0.1725920             -7.46805E-05      
 21      0.0774200              9.575336E-05     
S   21
  1 15503020.0000000            2.453237E-07     
  2 2321071.0000000             1.909637E-06     
  3 528180.2000000              1.003489E-05     
  4 149604.0000000              4.248835E-05     
  5  48809.0700000              0.0001546187     
  6  17622.3900000              0.000506455      
  7   6874.2010000              0.00150884       
  8   2851.8570000              0.004178816      
  9   1244.3340000              0.01056668       
 10    566.1547000              0.0243930        
 11    266.7873000              0.04812101       
 12    129.3752000              0.0756517        
 13     63.6516100              0.05748534       
 14     29.3330200             -0.09783186       
 15     14.8221200             -0.3864536        
 16      7.4605130             -0.3606598        
 17      3.4135760              0.2888650        
 18      1.6328840              0.6830917        
 19      0.7435790              0.3206778        
 20      0.1725920              0.01651471       
 21      0.0774200              0.0003124693     
S   21
  1 15503020.0000000           -5.114261E-08     
  2 2321071.0000000            -3.980779E-07     
  3 528180.2000000             -2.092033E-06     
  4 149604.0000000             -8.856836E-06     
  5  48809.0700000             -3.223602E-05     
  6  17622.3900000             -0.0001055757     
  7   6874.2010000             -0.0003146356     
  8   2851.8570000             -0.0008714113     
  9   1244.3340000             -0.002205415      
 10    566.1547000             -0.005095517      
 11    266.7873000             -0.01008237       
 12    129.3752000             -0.0159207        
 13     63.6516100             -0.01222037       
 14     29.3330200              0.02115869       
 15     14.8221200              0.08747304       
 16      7.4605130              0.08511605       
 17      3.4135760             -0.08115683       
 18      1.6328840             -0.2166359        
 19      0.7435790             -0.2076958        
 20      0.1725920              0.2699296        
 21      0.0774200              0.5842711        
S   21
  1 15503020.0000000           -9.762069E-08     
  2 2321071.0000000            -7.741142E-07     
  3 528180.2000000             -3.959746E-06     
  4 149604.0000000             -1.736914E-05     
  5  48809.0700000             -6.044953E-05     
  6  17622.3900000             -0.0002090555     
  7   6874.2010000             -0.0005834312     
  8   2851.8570000             -0.001746713      
  9   1244.3340000             -0.004026784      
 10    566.1547000             -0.01042362       
 11    266.7873000             -0.01781172       
 12    129.3752000             -0.03466996       
 13     63.6516100             -0.01540945       
 14     29.3330200              0.02086455       
 15     14.8221200              0.2206820        
 16      7.4605130              0.1073966        
 17      3.4135760             -0.08310668       
 18      1.6328840             -0.8942999        
 19      0.7435790              0.3750141        
 20      0.1725920              1.4967530        
 21      0.0774200             -0.5320390        
S   21
  1 15503020.0000000           -1.771733E-07     
  2 2321071.0000000            -1.397615E-06     
  3 528180.2000000             -7.203859E-06     
  4 149604.0000000             -3.128552E-05     
  5  48809.0700000             -0.0001102699     
  6  17622.3900000             -0.0003755735     
  7   6874.2010000             -0.0010679        
  8   2851.8570000             -0.003128427      
  9   1244.3340000             -0.007410272      
 10    566.1547000             -0.01859501       
 11    266.7873000             -0.03322798       
 12    129.3752000             -0.0611844        
 13     63.6516100             -0.03286334       
 14     29.3330200              0.04844202       
 15     14.8221200              0.3989880        
 16      7.4605130              0.3379290        
 17      3.4135760             -0.7016224        
 18      1.6328840             -1.6944340        
 19      0.7435790              2.5826800        
 20      0.1725920             -0.5498758        
 21      0.0774200             -1.3945510        
S   21
  1 15503020.0000000           -1.988311E-07     
  2 2321071.0000000            -1.449716E-06     
  3 528180.2000000             -8.363444E-06     
  4 149604.0000000             -3.125532E-05     
  5  48809.0700000             -0.0001327624     
  6  17622.3900000             -0.0003589662     
  7   6874.2010000             -0.001341488      
  8   2851.8570000             -0.002824018      
  9   1244.3340000             -0.009863607      
 10    566.1547000             -0.01523481       
 11    266.7873000             -0.04984489       
 12    129.3752000             -0.03522354       
 13     63.6516100             -0.1056424        
 14     29.3330200              0.2138034        
 15     14.8221200              0.1517675        
 16      7.4605130              1.1804280        
 17      3.4135760             -3.5264900        
 18      1.6328840              2.5508150        
 19      0.7435790              0.4306461        
 20      0.1725920             -3.4500410        
 21      0.0774200              4.7403420        
S   1
  1      0.0337010              1.0000000        
S   1
  1      0.0146700              1.0000000        
P   16
  1  45066.6200000              0.0000110        
  2  10662.6400000              0.0000960        
  3   3463.4310000              0.0005640        
  4   1326.6240000              0.0025700        
  5    564.7414000              0.0096770        
  6    258.8288000              0.0307420        
  7    125.3115000              0.0820650        
  8     63.2423300              0.1768450        
  9     32.8240600              0.2911620        
 10     17.3969200              0.3308160        
 11      9.3243940              0.2088190        
 12      4.9388390              0.0537390        
 13      2.5620250              0.0017090        
 14      1.2992940             -0.0017980        
 15      0.6346780             -0.0010460        
 16      0.2322620             -0.0000620        
P   17
  1  45066.6200000             -0.0000040        
  2  10662.6400000             -0.0000350        
  3   3463.4310000             -0.0002020        
  4   1326.6240000             -0.0009250        
  5    564.7414000             -0.0034990        
  6    258.8288000             -0.0112800        
  7    125.3115000             -0.0308190        
  8     63.2423300             -0.0690360        
  9     32.8240600             -0.1187330        
 10     17.3969200             -0.1424430        
 11      9.3243940             -0.0431070        
 12      4.9388390              0.2034990        
 13      2.5620250              0.4062280        
 14      1.2992940              0.3709380        
 15      0.6346780              0.1643120        
 16      0.2322620              0.0172650        
 17      0.0915460             -0.0016820        
P   17
  1  45066.6200000              0.0000010        
  2  10662.6400000              0.0000070        
  3   3463.4310000              0.0000410        
  4   1326.6240000              0.0001860        
  5    564.7414000              0.0007120        
  6    258.8288000              0.0022690        
  7    125.3115000              0.0062910        
  8     63.2423300              0.0139340        
  9     32.8240600              0.0245310        
 10     17.3969200              0.0287700        
 11      9.3243940              0.0087810        
 12      4.9388390             -0.0517310        
 13      2.5620250             -0.0959450        
 14      1.2992940             -0.1106750        
 15      0.6346780              0.0027270        
 16      0.2322620              0.3150270        
 17      0.0915460              0.5428100        
P   17
  1  45066.6200000              0.0000020        
  2  10662.6400000              0.0000140        
  3   3463.4310000              0.0000840        
  4   1326.6240000              0.0003710        
  5    564.7414000              0.0014600        
  6    258.8288000              0.0045370        
  7    125.3115000              0.0129220        
  8     63.2423300              0.0277660        
  9     32.8240600              0.0509560        
 10     17.3969200              0.0567450        
 11      9.3243940              0.0241190        
 12      4.9388390             -0.1250870        
 13      2.5620250             -0.2065410        
 14      1.2992940             -0.2149830        
 15      0.6346780              0.2078190        
 16      0.2322620              0.6385420        
 17      0.0915460              0.3262840        
P   17
  1  45066.6200000              0.0000030        
  2  10662.6400000              0.0000240        
  3   3463.4310000              0.0001550        
  4   1326.6240000              0.0006460        
  5    564.7414000              0.0026890        
  6    258.8288000              0.0078990        
  7    125.3115000              0.0239120        
  8     63.2423300              0.0480060        
  9     32.8240600              0.0962130        
 10     17.3969200              0.0975820        
 11      9.3243940              0.0770220        
 12      4.9388390             -0.3601360        
 13      2.5620250             -0.4455890        
 14      1.2992940             -0.1165380        
 15      0.6346780              1.1705030        
 16      0.2322620             -0.0389310        
 17      0.0915460             -0.7688140        
P   17
  1  45066.6200000              0.0000040        
  2  10662.6400000              0.0000360        
  3   3463.4310000              0.0001990        
  4   1326.6240000              0.0009590        
  5    564.7414000              0.0034630        
  6    258.8288000              0.0117560        
  7    125.3115000              0.0306900        
  8     63.2423300              0.0730810        
  9     32.8240600              0.1168270        
 10     17.3969200              0.1911630        
 11      9.3243940              0.1065430        
 12      4.9388390             -0.9499240        
 13      2.5620250             -0.5636050        
 14      1.2992940              1.9346110        
 15      0.6346780             -0.5101770        
 16      0.2322620             -1.1722970        
 17      0.0915460              1.0158980        
P   1
  1      0.0356430              1.0000000        
P   1
  1      0.0138800              1.0000000        
D   10
  1    414.3427000              0.0003500        
  2    124.3926000              0.0032000        
  3     48.1154000              0.0164770        
  4     20.8420000              0.0560010        
  5      9.6221000              0.1392340        
  6      4.6034000              0.2427760        
  7      2.1963000              0.3040690        
  8      1.0206000              0.2933190        
  9      0.4544000              0.2172590        
 10      0.1900000              0.1046990        
D   10
  1    414.3427000             -0.0003620        
  2    124.3926000             -0.0033350        
  3     48.1154000             -0.0171760        
  4     20.8420000             -0.0592450        
  5      9.6221000             -0.1512320        
  6      4.6034000             -0.2544610        
  7      2.1963000             -0.2287180        
  8      1.0206000              0.0206160        
  9      0.4544000              0.3427530        
 10      0.1900000              0.4738710        
D   10
  1    414.3427000             -0.0005290        
  2    124.3926000             -0.0049280        
  3     48.1154000             -0.0253720        
  4     20.8420000             -0.0896540        
  5      9.6221000             -0.2387440        
  6      4.6034000             -0.3597210        
  7      2.1963000              0.0044440        
  8      1.0206000              0.5965470        
  9      0.4544000              0.3313020        
 10      0.1900000             -0.5090090        
D   10
  1    414.3427000             -0.0007870        
  2    124.3926000             -0.0067780        
  3     48.1154000             -0.0377260        
  4     20.8420000             -0.1291250        
  5      9.6221000             -0.4148090        
  6      4.6034000             -0.2839570        
  7      2.1963000              0.8671940        
  8      1.0206000              0.2723270        
  9      0.4544000             -0.9868420        
 10      0.1900000              0.1853600        
D   1
  1      0.0715000              1.0000000        
D   1
  1      0.0269100              1.0000000        
F   1
  1      6.9134000              1.0000000        
F   1
  1      2.1260000              1.0000000        
F   1
  1      0.6538000              1.0000000        
F   1
  1      0.2265000              1.0000000        
G   1
  1      5.3123000              1.0000000        
G   1
  1      1.5457000              1.0000000        
G   1
  1      0.6237000              1.0000000        
H   1
  1      3.3495000              1.0000000        
H   1
  1      1.4486000              1.0000000        


