# all_value

name: aug-cc-pVDZ
description: VDZ2PD Valence Double Zeta + Polarization + Diffuse
elt: Fe
data:
IRON
S   19
  1      4.316265E+06           8.048803E-06     
  2      6.463424E+05           6.258306E-05     
  3      1.470897E+05           3.290239E-04     
  4      4.166152E+04           1.387355E-03     
  5      1.359077E+04           5.023256E-03     
  6      4.905750E+03           1.610140E-02     
  7      1.912746E+03           4.590034E-02     
  8      7.926043E+02           1.136154E-01     
  9      3.448065E+02           2.283869E-01     
 10      1.558999E+02           3.221159E-01     
 11      7.223091E+01           2.383661E-01     
 12      3.272506E+01           7.404667E-02     
 13      1.566762E+01           9.214197E-02     
 14      7.503483E+00           9.339790E-02     
 15      3.312223E+00           1.573965E-02     
 16      1.558471E+00          -4.186682E-04     
 17      6.839140E-01           5.376318E-05     
 18      1.467570E-01          -3.816654E-05     
 19      7.058300E-02           4.319603E-05     
S   19
  1      4.316265E+06          -4.155954E-06     
  2      6.463424E+05          -3.231401E-05     
  3      1.470897E+05          -1.699525E-04     
  4      4.166152E+04          -7.171369E-04     
  5      1.359077E+04          -2.603625E-03     
  6      4.905750E+03          -8.399109E-03     
  7      1.912746E+03          -2.434109E-02     
  8      7.926043E+02          -6.251948E-02     
  9      3.448065E+02          -1.365929E-01     
 10      1.558999E+02          -2.312707E-01     
 11      7.223091E+01          -2.383734E-01     
 12      3.272506E+01           3.123837E-02     
 13      1.566762E+01           5.086818E-01     
 14      7.503483E+00           4.987695E-01     
 15      3.312223E+00           9.033552E-02     
 16      1.558471E+00          -6.005337E-03     
 17      6.839140E-01           2.312454E-04     
 18      1.467570E-01          -5.643680E-04     
 19      7.058300E-02           4.992260E-04     
S   19
  1      4.316265E+06           9.532178E-07     
  2      6.463424E+05           7.414605E-06     
  3      1.470897E+05           3.898393E-05     
  4      4.166152E+04           1.647152E-04     
  5      1.359077E+04           5.985980E-04     
  6      4.905750E+03           1.942390E-03     
  7      1.912746E+03           5.687237E-03     
  8      7.926043E+02           1.501329E-02     
  9      3.448065E+02           3.452455E-02     
 10      1.558999E+02           6.495820E-02     
 11      7.223091E+01           7.716194E-02     
 12      3.272506E+01          -1.873411E-02     
 13      1.566762E+01          -3.009185E-01     
 14      7.503483E+00          -4.554661E-01     
 15      3.312223E+00           1.286463E-01     
 16      1.558471E+00           7.183316E-01     
 17      6.839140E-01           4.051743E-01     
 18      1.467570E-01           2.168227E-02     
 19      7.058300E-02          -8.343566E-03     
S   19
  1      4.316265E+06          -2.063008E-07     
  2      6.463424E+05          -1.604169E-06     
  3      1.470897E+05          -8.438437E-06     
  4      4.166152E+04          -3.563151E-05     
  5      1.359077E+04          -1.295998E-04     
  6      4.905750E+03          -4.201534E-04     
  7      1.912746E+03          -1.231954E-03     
  8      7.926043E+02          -3.248922E-03     
  9      3.448065E+02          -7.493717E-03     
 10      1.558999E+02          -1.410102E-02     
 11      7.223091E+01          -1.691600E-02     
 12      3.272506E+01           4.218996E-03     
 13      1.566762E+01           6.833810E-02     
 14      7.503483E+00           1.098201E-01     
 15      3.312223E+00          -4.009005E-02     
 16      1.558471E+00          -2.174739E-01     
 17      6.839140E-01          -2.465135E-01     
 18      1.467570E-01           2.731435E-01     
 19      7.058300E-02           5.748321E-01     
S   19
  1      4.316265E+06          -4.009367E-07     
  2      6.463424E+05          -3.189255E-06     
  3      1.470897E+05          -1.623079E-05     
  4      4.166152E+04          -7.157920E-05     
  5      1.359077E+04          -2.463958E-04     
  6      4.905750E+03          -8.544907E-04     
  7      1.912746E+03          -2.307593E-03     
  8      7.926043E+02          -6.728292E-03     
  9      3.448065E+02          -1.366165E-02     
 10      1.558999E+02          -3.062240E-02     
 11      7.223091E+01          -2.631137E-02     
 12      3.272506E+01          -9.760183E-03     
 13      1.566762E+01           1.801906E-01     
 14      7.503483E+00           1.529634E-01     
 15      3.312223E+00           5.505413E-02     
 16      1.558471E+00          -9.551364E-01     
 17      6.839140E-01           2.586813E-01     
 18      1.467570E-01           1.834049E+00     
 19      7.058300E-02          -9.333240E-01     
S   1
  1      3.144900E-02           1.0000000        
S   1
  1      1.401000E-02           1.0000000        
P   15
  1      1.774569E+04           4.100000E-05     
  2      4.200721E+03           3.690000E-04     
  3      1.364429E+03           2.129000E-03     
  4      5.220806E+02           9.369000E-03     
  5      2.214595E+02           3.309700E-02     
  6      1.009096E+02           9.443100E-02     
  7      4.840115E+01           2.080770E-01     
  8      2.398536E+01           3.323330E-01     
  9      1.218250E+01           3.329870E-01     
 10      6.242298E+00           1.568430E-01     
 11      3.110944E+00           2.154900E-02     
 12      1.509958E+00          -2.095000E-03     
 13      7.108450E-01          -1.739000E-03     
 14      2.731900E-01          -3.000000E-04     
 15      1.042330E-01           2.900000E-05     
P   15
  1      1.774569E+04          -1.500000E-05     
  2      4.200721E+03          -1.300000E-04     
  3      1.364429E+03          -7.510000E-04     
  4      5.220806E+02          -3.329000E-03     
  5      2.214595E+02          -1.191200E-02     
  6      1.009096E+02          -3.493300E-02     
  7      4.840115E+01          -7.998900E-02     
  8      2.398536E+01          -1.346360E-01     
  9      1.218250E+01          -1.385980E-01     
 10      6.242298E+00           3.027800E-02     
 11      3.110944E+00           3.332160E-01     
 12      1.509958E+00           4.561530E-01     
 13      7.108450E-01           2.850510E-01     
 14      2.731900E-01           4.614400E-02     
 15      1.042330E-01          -3.249000E-03     
P   15
  1      1.774569E+04           3.000000E-06     
  2      4.200721E+03           2.900000E-05     
  3      1.364429E+03           1.650000E-04     
  4      5.220806E+02           7.340000E-04     
  5      2.214595E+02           2.626000E-03     
  6      1.009096E+02           7.725000E-03     
  7      4.840115E+01           1.773300E-02     
  8      2.398536E+01           3.005500E-02     
  9      1.218250E+01           3.109400E-02     
 10      6.242298E+00          -1.004800E-02     
 11      3.110944E+00          -8.830600E-02     
 12      1.509958E+00          -1.298240E-01     
 13      7.108450E-01          -7.693700E-02     
 14      2.731900E-01           2.126610E-01     
 15      1.042330E-01           5.730610E-01     
P   15
  1      1.774569E+04           5.000000E-06     
  2      4.200721E+03           4.200000E-05     
  3      1.364429E+03           2.410000E-04     
  4      5.220806E+02           1.085000E-03     
  5      2.214595E+02           3.831000E-03     
  6      1.009096E+02           1.142300E-02     
  7      4.840115E+01           2.579200E-02     
  8      2.398536E+01           4.481800E-02     
  9      1.218250E+01           4.459800E-02     
 10      6.242298E+00          -1.117700E-02     
 11      3.110944E+00          -1.381340E-01     
 12      1.509958E+00          -1.882850E-01     
 13      7.108450E-01          -1.073990E-01     
 14      2.731900E-01           4.448630E-01     
 15      1.042330E-01           6.402390E-01     
P   1
  1      3.829100E-02           1.0000000        
P   1
  1      1.407000E-02           1.0000000        
D   7
  1      1.133440E+02           3.530000E-03     
  2      3.364140E+01           2.578400E-02     
  3      1.233100E+01           9.911900E-02     
  4      4.994780E+00           2.390730E-01     
  5      2.072800E+00           3.571990E-01     
  6      8.307530E-01           3.621880E-01     
  7      3.091780E-01           2.364610E-01     
D   7
  1      1.133440E+02          -3.890000E-03     
  2      3.364140E+01          -2.844200E-02     
  3      1.233100E+01          -1.124290E-01     
  4      4.994780E+00          -2.742570E-01     
  5      2.072800E+00          -3.155460E-01     
  6      8.307530E-01           5.710900E-02     
  7      3.091780E-01           5.636040E-01     
D   1
  1      1.001300E-01           1.0000000        
D   1
  1      3.243000E-02           1.0000000        
F   2
  1      3.224300E+00           4.222490E-01     
  2      7.758000E-01           7.714680E-01     
F   1
  1      2.749000E-01           1.0000000        


name: aug-cc-pVDZ
description: VDZ2PD Valence Double Zeta + Polarization + Diffuse
elt: Co
data:
COBALT
S   19
  1      4.675675E+06           7.979026E-06     
  2      7.001615E+05           6.204071E-05     
  3      1.593373E+05           3.261735E-04     
  4      4.513046E+04           1.375360E-03     
  5      1.472238E+04           4.979997E-03     
  6      5.314222E+03           1.596434E-02     
  7      2.072018E+03           4.552086E-02     
  8      8.586188E+02           1.127385E-01     
  9      3.735497E+02           2.268262E-01     
 10      1.689229E+02           3.203074E-01     
 11      7.829639E+01           2.374021E-01     
 12      3.552123E+01           7.477686E-02     
 13      1.704144E+01           9.581872E-02     
 14      8.173000E+00           9.649911E-02     
 15      3.610318E+00           1.623362E-02     
 16      1.697047E+00          -4.535497E-04     
 17      7.435320E-01           5.113519E-05     
 18      1.583440E-01          -4.174508E-05     
 19      7.503600E-02           4.027577E-05     
S   19
  1      4.675675E+06          -4.200240E-06     
  2      7.001615E+05          -3.265831E-05     
  3      1.593373E+05          -1.717644E-04     
  4      4.513046E+04          -7.247853E-04     
  5      1.472238E+04          -2.631462E-03     
  6      5.314222E+03          -8.489272E-03     
  7      2.072018E+03          -2.460619E-02     
  8      8.586188E+02          -6.322059E-02     
  9      3.735497E+02          -1.381957E-01     
 10      1.689229E+02          -2.340680E-01     
 11      7.829639E+01          -2.415002E-01     
 12      3.552123E+01           3.035312E-02     
 13      1.704144E+01           5.101341E-01     
 14      8.173000E+00           4.974939E-01     
 15      3.610318E+00           8.970746E-02     
 16      1.697047E+00          -5.941034E-03     
 17      7.435320E-01           2.175362E-04     
 18      1.583440E-01          -5.480155E-04     
 19      7.503600E-02           4.525804E-04     
S   19
  1      4.675675E+06           9.592692E-07     
  2      7.001615E+05           7.461851E-06     
  3      1.593373E+05           3.923137E-05     
  4      4.513046E+04           1.657706E-04     
  5      1.472238E+04           6.024335E-04     
  6      5.314222E+03           1.955217E-03     
  7      2.072018E+03           5.726326E-03     
  8      8.586188E+02           1.512984E-02     
  9      3.735497E+02           3.483973E-02     
 10      1.689229E+02           6.570351E-02     
 11      7.829639E+01           7.831503E-02     
 12      3.552123E+01          -1.877037E-02     
 13      1.704144E+01          -3.062663E-01     
 14      8.173000E+00          -4.566429E-01     
 15      3.610318E+00           1.378169E-01     
 16      1.697047E+00           7.193676E-01     
 17      7.435320E-01           3.992579E-01     
 18      1.583440E-01           2.079933E-02     
 19      7.503600E-02          -7.820663E-03     
S   19
  1      4.675675E+06          -2.028840E-07     
  2      7.001615E+05          -1.577580E-06     
  3      1.593373E+05          -8.298813E-06     
  4      4.513046E+04          -3.504154E-05     
  5      1.472238E+04          -1.274655E-04     
  6      5.314222E+03          -4.132695E-04     
  7      2.072018E+03          -1.212261E-03     
  8      8.586188E+02          -3.199318E-03     
  9      3.735497E+02          -7.390972E-03     
 10      1.689229E+02          -1.393649E-02     
 11      7.829639E+01          -1.678575E-02     
 12      3.552123E+01           4.149856E-03     
 13      1.704144E+01           6.797646E-02     
 14      8.173000E+00           1.075807E-01     
 15      3.610318E+00          -4.166022E-02     
 16      1.697047E+00          -2.128044E-01     
 17      7.435320E-01          -2.381360E-01     
 18      1.583440E-01           2.650788E-01     
 19      7.503600E-02           5.722774E-01     
S   19
  1      4.675675E+06          -3.863053E-07     
  2      7.001615E+05          -3.068788E-06     
  3      1.593373E+05          -1.564826E-05     
  4      4.513046E+04          -6.883588E-05     
  5      1.472238E+04          -2.377367E-04     
  6      5.314222E+03          -8.213173E-04     
  7      2.072018E+03          -2.229630E-03     
  8      8.586188E+02          -6.467841E-03     
  9      3.735497E+02          -1.325463E-02     
 10      1.689229E+02          -2.946686E-02     
 11      7.829639E+01          -2.599066E-02     
 12      3.552123E+01          -8.499807E-03     
 13      1.704144E+01           1.727316E-01     
 14      8.173000E+00           1.512189E-01     
 15      3.610318E+00           3.554509E-02     
 16      1.697047E+00          -8.829353E-01     
 17      7.435320E-01           2.143530E-01     
 18      1.583440E-01           1.711865E+00     
 19      7.503600E-02          -7.140037E-01     
S   1
  1      3.309100E-02           1.0000000        
S   1
  1      1.459000E-02           1.0000000        
P   15
  1      1.926778E+04           4.100000E-05     
  2      4.560986E+03           3.690000E-04     
  3      1.481436E+03           2.128000E-03     
  4      5.668671E+02           9.372000E-03     
  5      2.404910E+02           3.315500E-02     
  6      1.096105E+02           9.475200E-02     
  7      5.259491E+01           2.090930E-01     
  8      2.608361E+01           3.337220E-01     
  9      1.326143E+01           3.322080E-01     
 10      6.799778E+00           1.546130E-01     
 11      3.393414E+00           2.090200E-02     
 12      1.648766E+00          -2.024000E-03     
 13      7.762820E-01          -1.697000E-03     
 14      2.980030E-01          -2.800000E-04     
 15      1.136180E-01           2.600000E-05     
P   15
  1      1.926778E+04          -1.500000E-05     
  2      4.560986E+03          -1.310000E-04     
  3      1.481436E+03          -7.580000E-04     
  4      5.668671E+02          -3.363000E-03     
  5      2.404910E+02          -1.205400E-02     
  6      1.096105E+02          -3.542400E-02     
  7      5.259491E+01          -8.128700E-02     
  8      2.608361E+01          -1.369080E-01     
  9      1.326143E+01          -1.390190E-01     
 10      6.799778E+00           3.546800E-02     
 11      3.393414E+00           3.384980E-01     
 12      1.648766E+00           4.544330E-01     
 13      7.762820E-01           2.797930E-01     
 14      2.980030E-01           4.477600E-02     
 15      1.136180E-01          -3.151000E-03     
P   15
  1      1.926778E+04          -3.000000E-06     
  2      4.560986E+03          -2.900000E-05     
  3      1.481436E+03          -1.670000E-04     
  4      5.668671E+02          -7.420000E-04     
  5      2.404910E+02          -2.662000E-03     
  6      1.096105E+02          -7.841000E-03     
  7      5.259491E+01          -1.805100E-02     
  8      2.608361E+01          -3.058000E-02     
  9      1.326143E+01          -3.131200E-02     
 10      6.799778E+00           1.131100E-02     
 11      3.393414E+00           8.999000E-02     
 12      1.648766E+00           1.307330E-01     
 13      7.762820E-01           7.180800E-02     
 14      2.980030E-01          -2.216580E-01     
 15      1.136180E-01          -5.710250E-01     
P   15
  1      1.926778E+04           5.000000E-06     
  2      4.560986E+03           4.500000E-05     
  3      1.481436E+03           2.550000E-04     
  4      5.668671E+02           1.144000E-03     
  5      2.404910E+02           4.061000E-03     
  6      1.096105E+02           1.209500E-02     
  7      5.259491E+01           2.747600E-02     
  8      2.608361E+01           4.755700E-02     
  9      1.326143E+01           4.730200E-02     
 10      6.799778E+00          -1.441800E-02     
 11      3.393414E+00          -1.500620E-01     
 12      1.648766E+00          -1.990920E-01     
 13      7.762820E-01          -7.978300E-02     
 14      2.980030E-01           4.590350E-01     
 15      1.136180E-01           6.174950E-01     
P   1
  1      4.162400E-02           1.0000000        
P   1
  1      1.525000E-02           1.0000000        
D   7
  1      1.262640E+02           3.510000E-03     
  2      3.752260E+01           2.588400E-02     
  3      1.380210E+01           1.000580E-01     
  4      5.609270E+00           2.405470E-01     
  5      2.333690E+00           3.568430E-01     
  6      9.364150E-01           3.595790E-01     
  7      3.482370E-01           2.366290E-01     
D   7
  1      1.262640E+02          -4.067000E-03     
  2      3.752260E+01          -3.005300E-02     
  3      1.380210E+01          -1.196200E-01     
  4      5.609270E+00          -2.915130E-01     
  5      2.333690E+00          -3.180480E-01     
  6      9.364150E-01           9.169800E-02     
  7      3.482370E-01           5.608230E-01     
D   1
  1      1.123530E-01           1.0000000        
D   1
  1      3.625000E-02           1.0000000        
F   2
  1      3.772400E+00           4.239660E-01     
  2      9.170000E-01           7.684290E-01     
F   1
  1      3.271500E-01           1.0000000        


name: aug-cc-pVDZ
description: VDZ2PD Valence Double Zeta + Polarization + Diffuse
elt: Ni
data:
NICKEL
S   19
  1      5.045991E+06           8.208996E-06     
  2      7.556142E+05           6.382884E-05     
  3      1.719568E+05           3.355800E-04     
  4      4.870479E+04           1.415075E-03     
  5      1.588841E+04           5.124444E-03     
  6      5.735123E+03           1.643256E-02     
  7      2.236137E+03           4.689398E-02     
  8      9.266468E+02           1.163534E-01     
  9      4.031743E+02           2.350511E-01     
 10      1.823476E+02           3.350184E-01     
 11      8.454885E+01           2.534779E-01     
 12      3.839634E+01           7.300901E-02     
 13      1.845859E+01           6.184244E-02     
 14      8.863548E+00           6.302956E-02     
 15      3.916227E+00           1.008063E-02     
 16      1.838870E+00          -2.244528E-04     
 17      8.043620E-01          -5.932767E-05     
 18      1.697970E-01          -1.158562E-05     
 19      7.930600E-02           8.115109E-06     
S   19
  1      5.045991E+06          -3.657849E-06     
  2      7.556142E+05          -2.844094E-05     
  3      1.719568E+05          -1.495928E-04     
  4      4.870479E+04          -6.313009E-04     
  5      1.588841E+04          -2.293052E-03     
  6      5.735123E+03          -7.405123E-03     
  7      2.236137E+03          -2.152032E-02     
  8      9.266468E+02          -5.560974E-02     
  9      4.031743E+02          -1.230176E-01     
 10      1.823476E+02          -2.130104E-01     
 11      8.454885E+01          -2.265837E-01     
 12      3.839634E+01           3.546796E-02     
 13      1.845859E+01           5.181697E-01     
 14      8.863548E+00           5.025630E-01     
 15      3.916227E+00           8.955674E-02     
 16      1.838870E+00          -7.031311E-03     
 17      8.043620E-01          -4.339167E-04     
 18      1.697970E-01          -5.831711E-04     
 19      7.930600E-02           4.228788E-04     
S   19
  1      5.045991E+06           9.594149E-07     
  2      7.556142E+05           7.462614E-06     
  3      1.719568E+05           3.923843E-05     
  4      4.870479E+04           1.657868E-04     
  5      1.588841E+04           6.025905E-04     
  6      5.735123E+03           1.955662E-03     
  7      2.236137E+03           5.730391E-03     
  8      9.266468E+02           1.514756E-02     
  9      4.031743E+02           3.493499E-02     
 10      1.823476E+02           6.598072E-02     
 11      8.454885E+01           7.893083E-02     
 12      3.839634E+01          -1.906249E-02     
 13      1.845859E+01          -3.095921E-01     
 14      8.863548E+00          -4.558610E-01     
 15      3.916227E+00           1.482931E-01     
 16      1.838870E+00           7.134039E-01     
 17      8.043620E-01           3.976063E-01     
 18      1.697970E-01           2.295523E-02     
 19      7.930600E-02          -9.151758E-03     
S   19
  1      5.045991E+06          -2.013753E-07     
  2      7.556142E+05          -1.565832E-06     
  3      1.719568E+05          -8.237182E-06     
  4      4.870479E+04          -3.478105E-05     
  5      1.588841E+04          -1.265265E-04     
  6      5.735123E+03          -4.102589E-04     
  7      2.236137E+03          -1.203834E-03     
  8      9.266468E+02          -3.179062E-03     
  9      4.031743E+02          -7.353828E-03     
 10      1.823476E+02          -1.389022E-02     
 11      8.454885E+01          -1.677875E-02     
 12      3.839634E+01           4.163378E-03     
 13      1.845859E+01           6.814703E-02     
 14      8.863548E+00           1.061029E-01     
 15      3.916227E+00          -4.339980E-02     
 16      1.838870E+00          -2.094950E-01     
 17      8.043620E-01          -2.310271E-01     
 18      1.697970E-01           2.590532E-01     
 19      7.930600E-02           5.691426E-01     
S   19
  1      5.045991E+06          -3.924245E-07     
  2      7.556142E+05          -3.113909E-06     
  3      1.719568E+05          -1.590447E-05     
  4      4.870479E+04          -6.981394E-05     
  5      1.588841E+04          -2.417848E-04     
  6      5.735123E+03          -8.326195E-04     
  7      2.236137E+03          -2.270294E-03     
  8      9.266468E+02          -6.557427E-03     
  9      4.031743E+02          -1.354288E-02     
 10      1.823476E+02          -2.989768E-02     
 11      8.454885E+01          -2.693106E-02     
 12      3.839634E+01          -7.827693E-03     
 13      1.845859E+01           1.741667E-01     
 14      8.863548E+00           1.595468E-01     
 15      3.916227E+00           1.995550E-02     
 16      1.838870E+00          -8.897000E-01     
 17      8.043620E-01           2.486892E-01     
 18      1.697970E-01           1.613012E+00     
 19      7.930600E-02          -5.990277E-01     
S   1
  1      3.467700E-02           1.0000000        
S   1
  1      1.516000E-02           1.0000000        
P   15
  1      2.102792E+04           4.100000E-05     
  2      4.977560E+03           3.630000E-04     
  3      1.616740E+03           2.097000E-03     
  4      6.186718E+02           9.250000E-03     
  5      2.625183E+02           3.279600E-02     
  6      1.196907E+02           9.400400E-02     
  7      5.746585E+01           2.082800E-01     
  8      2.852829E+01           3.336540E-01     
  9      1.452148E+01           3.329040E-01     
 10      7.453850E+00           1.553720E-01     
 11      3.723553E+00           2.085900E-02     
 12      1.809813E+00          -2.440000E-03     
 13      8.513360E-01          -1.998000E-03     
 14      3.248140E-01          -3.380000E-04     
 15      1.195220E-01           3.500000E-05     
P   15
  1      2.102792E+04          -1.500000E-05     
  2      4.977560E+03          -1.290000E-04     
  3      1.616740E+03          -7.490000E-04     
  4      6.186718E+02          -3.328000E-03     
  5      2.625183E+02          -1.194700E-02     
  6      1.196907E+02          -3.524200E-02     
  7      5.746585E+01          -8.120400E-02     
  8      2.852829E+01          -1.374930E-01     
  9      1.452148E+01          -1.392260E-01     
 10      7.453850E+00           3.601600E-02     
 11      3.723553E+00           3.391280E-01     
 12      1.809813E+00           4.504720E-01     
 13      8.513360E-01           2.817830E-01     
 14      3.248140E-01           4.789800E-02     
 15      1.195220E-01          -2.987000E-03     
P   15
  1      2.102792E+04           3.000000E-06     
  2      4.977560E+03           2.600000E-05     
  3      1.616740E+03           1.520000E-04     
  4      6.186718E+02           6.780000E-04     
  5      2.625183E+02           2.427000E-03     
  6      1.196907E+02           7.201000E-03     
  7      5.746585E+01           1.657800E-02     
  8      2.852829E+01           2.839200E-02     
  9      1.452148E+01           2.859900E-02     
 10      7.453850E+00          -1.013200E-02     
 11      3.723553E+00          -8.291200E-02     
 12      1.809813E+00          -1.159980E-01     
 13      8.513360E-01          -7.279500E-02     
 14      3.248140E-01           1.956400E-01     
 15      1.195220E-01           5.670990E-01     
P   15
  1      2.102792E+04           6.000000E-06     
  2      4.977560E+03           5.300000E-05     
  3      1.616740E+03           3.050000E-04     
  4      6.186718E+02           1.364000E-03     
  5      2.625183E+02           4.876000E-03     
  6      1.196907E+02           1.450300E-02     
  7      5.746585E+01           3.329600E-02     
  8      2.852829E+01           5.748200E-02     
  9      1.452148E+01           5.870200E-02     
 10      7.453850E+00          -1.990400E-02     
 11      3.723553E+00          -1.946950E-01     
 12      1.809813E+00          -2.396130E-01     
 13      8.513360E-01          -2.232000E-03     
 14      3.248140E-01           5.214350E-01     
 15      1.195220E-01           5.455400E-01     
P   1
  1      4.236600E-02           1.0000000        
P   1
  1      1.502000E-02           1.0000000        
D   7
  1      1.402527E+02           3.376000E-03     
  2      4.172610E+01           2.514100E-02     
  3      1.539810E+01           9.774600E-02     
  4      6.277100E+00           2.347090E-01     
  5      2.618500E+00           3.469450E-01     
  6      1.052600E+00           3.510680E-01     
  7      3.916000E-01           2.502550E-01     
D   7
  1      1.402527E+02          -3.495000E-03     
  2      4.172610E+01          -2.601500E-02     
  3      1.539810E+01          -1.038760E-01     
  4      6.277100E+00          -2.520700E-01     
  5      2.618500E+00          -2.945800E-01     
  6      1.052600E+00           1.152000E-03     
  7      3.916000E-01           4.385890E-01     
D   1
  1      1.262000E-01           1.0000000        
D   1
  1      4.067000E-02           1.0000000        
F   2
  1      4.345500E+00           4.174290E-01     
  2      1.068000E+00           7.714830E-01     
F   1
  1      4.083000E-01           1.0000000        


name: aug-cc-pVDZ
description: VDZ2PD Valence Double Zeta + Polarization + Diffuse
elt: Cu
data:
COPPER
S   19
  1      5.430321E+06           7.801026E-06     
  2      8.131665E+05           6.065666E-05     
  3      1.850544E+05           3.188964E-04     
  4      5.241466E+04           1.344687E-03     
  5      1.709868E+04           4.869050E-03     
  6      6.171994E+03           1.561013E-02     
  7      2.406481E+03           4.452077E-02     
  8      9.972584E+02           1.103111E-01     
  9      4.339289E+02           2.220342E-01     
 10      1.962869E+02           3.133739E-01     
 11      9.104280E+01           2.315121E-01     
 12      4.138425E+01           7.640920E-02     
 13      1.993278E+01           1.103818E-01     
 14      9.581891E+00           1.094372E-01     
 15      4.234516E+00           1.836311E-02     
 16      1.985814E+00          -6.043084E-04     
 17      8.670830E-01           5.092245E-05     
 18      1.813390E-01          -5.540730E-05     
 19      8.365700E-02           3.969482E-05     
S   19
  1      5.430321E+06          -4.404706E-06     
  2      8.131665E+05          -3.424801E-05     
  3      1.850544E+05          -1.801238E-04     
  4      5.241466E+04          -7.600455E-04     
  5      1.709868E+04          -2.759348E-03     
  6      6.171994E+03          -8.900970E-03     
  7      2.406481E+03          -2.579378E-02     
  8      9.972584E+02          -6.623861E-02     
  9      4.339289E+02          -1.445927E-01     
 10      1.962869E+02          -2.440110E-01     
 11      9.104280E+01          -2.504837E-01     
 12      4.138425E+01           2.852577E-02     
 13      1.993278E+01           5.115874E-01     
 14      9.581891E+00           4.928061E-01     
 15      4.234516E+00           8.788437E-02     
 16      1.985814E+00          -5.820281E-03     
 17      8.670830E-01           2.013508E-04     
 18      1.813390E-01          -5.182553E-04     
 19      8.365700E-02           3.731503E-04     
S   19
  1      5.430321E+06           9.704682E-07     
  2      8.131665E+05           7.549245E-06     
  3      1.850544E+05           3.968892E-05     
  4      5.241466E+04           1.677200E-04     
  5      1.709868E+04           6.095101E-04     
  6      6.171994E+03           1.978846E-03     
  7      2.406481E+03           5.798049E-03     
  8      9.972584E+02           1.534158E-02     
  9      4.339289E+02           3.540484E-02     
 10      1.962869E+02           6.702098E-02     
 11      9.104280E+01           8.026945E-02     
 12      4.138425E+01          -1.927231E-02     
 13      1.993278E+01          -3.160129E-01     
 14      9.581891E+00          -4.573162E-01     
 15      4.234516E+00           1.550841E-01     
 16      1.985814E+00           7.202872E-01     
 17      8.670830E-01           3.885122E-01     
 18      1.813390E-01           1.924326E-02     
 19      8.365700E-02          -7.103807E-03     
S   19
  1      5.430321E+06          -1.959354E-07     
  2      8.131665E+05          -1.523472E-06     
  3      1.850544E+05          -8.014808E-06     
  4      5.241466E+04          -3.383992E-05     
  5      1.709868E+04          -1.231191E-04     
  6      6.171994E+03          -3.992085E-04     
  7      2.406481E+03          -1.171900E-03     
  8      9.972584E+02          -3.096141E-03     
  9      4.339289E+02          -7.171993E-03     
 10      1.962869E+02          -1.356621E-02     
 11      9.104280E+01          -1.643989E-02     
 12      4.138425E+01           4.107628E-03     
 13      1.993278E+01           6.693964E-02     
 14      9.581891E+00           1.028221E-01     
 15      4.234516E+00          -4.422945E-02     
 16      1.985814E+00          -2.031191E-01     
 17      8.670830E-01          -2.230022E-01     
 18      1.813390E-01           2.517975E-01     
 19      8.365700E-02           5.650091E-01     
S   19
  1      5.430321E+06          -3.532229E-07     
  2      8.131665E+05          -2.798812E-06     
  3      1.850544E+05          -1.432517E-05     
  4      5.241466E+04          -6.270946E-05     
  5      1.709868E+04          -2.179490E-04     
  6      6.171994E+03          -7.474316E-04     
  7      2.406481E+03          -2.049271E-03     
  8      9.972584E+02          -5.885203E-03     
  9      4.339289E+02          -1.226885E-02     
 10      1.962869E+02          -2.683147E-02     
 11      9.104280E+01          -2.479261E-02     
 12      4.138425E+01          -5.984746E-03     
 13      1.993278E+01           1.557124E-01     
 14      9.581891E+00           1.436683E-01     
 15      4.234516E+00           8.374103E-03     
 16      1.985814E+00          -7.460711E-01     
 17      8.670830E-01           1.244367E-01     
 18      1.813390E-01           1.510110E+00     
 19      8.365700E-02          -3.477122E-01     
S   1
  1      3.626700E-02           1.0000000        
S   1
  1      1.572000E-02           1.0000000        
P   15
  1      2.276057E+04           4.000000E-05     
  2      5.387679E+03           3.610000E-04     
  3      1.749945E+03           2.083000E-03     
  4      6.696653E+02           9.197000E-03     
  5      2.841948E+02           3.266000E-02     
  6      1.296077E+02           9.379500E-02     
  7      6.225415E+01           2.082740E-01     
  8      3.092964E+01           3.339930E-01     
  9      1.575827E+01           3.324930E-01     
 10      8.094211E+00           1.547280E-01     
 11      4.046921E+00           2.127100E-02     
 12      1.967869E+00          -1.690000E-03     
 13      9.252950E-01          -1.516000E-03     
 14      3.529920E-01          -2.420000E-04     
 15      1.273070E-01           2.300000E-05     
P   15
  1      2.276057E+04          -1.500000E-05     
  2      5.387679E+03          -1.310000E-04     
  3      1.749945E+03          -7.550000E-04     
  4      6.696653E+02          -3.359000E-03     
  5      2.841948E+02          -1.208100E-02     
  6      1.296077E+02          -3.570300E-02     
  7      6.225415E+01          -8.250200E-02     
  8      3.092964E+01          -1.398900E-01     
  9      1.575827E+01          -1.407290E-01     
 10      8.094211E+00           3.876600E-02     
 11      4.046921E+00           3.426950E-01     
 12      1.967869E+00           4.523100E-01     
 13      9.252950E-01           2.770540E-01     
 14      3.529920E-01           4.388500E-02     
 15      1.273070E-01          -2.802000E-03     
P   15
  1      2.276057E+04           3.000000E-06     
  2      5.387679E+03           2.500000E-05     
  3      1.749945E+03           1.470000E-04     
  4      6.696653E+02           6.560000E-04     
  5      2.841948E+02           2.351000E-03     
  6      1.296077E+02           7.004000E-03     
  7      6.225415E+01           1.613100E-02     
  8      3.092964E+01           2.777000E-02     
  9      1.575827E+01           2.756700E-02     
 10      8.094211E+00          -1.011500E-02     
 11      4.046921E+00          -8.100900E-02     
 12      1.967869E+00          -1.104090E-01     
 13      9.252950E-01          -7.173200E-02     
 14      3.529920E-01           1.879300E-01     
 15      1.273070E-01           5.646290E-01     
P   15
  1      2.276057E+04           5.000000E-06     
  2      5.387679E+03           4.900000E-05     
  3      1.749945E+03           2.780000E-04     
  4      6.696653E+02           1.253000E-03     
  5      2.841948E+02           4.447000E-03     
  6      1.296077E+02           1.337000E-02     
  7      6.225415E+01           3.046900E-02     
  8      3.092964E+01           5.344700E-02     
  9      1.575827E+01           5.263900E-02     
 10      8.094211E+00          -1.688100E-02     
 11      4.046921E+00          -1.794480E-01     
 12      1.967869E+00          -2.095880E-01     
 13      9.252950E-01          -3.963300E-02     
 14      3.529920E-01           5.021300E-01     
 15      1.273070E-01           5.811110E-01     
P   1
  1      4.435600E-02           1.0000000        
P   1
  1      1.545000E-02           1.0000000        
D   7
  1      1.738970E+02           2.700000E-03     
  2      5.188690E+01           2.090900E-02     
  3      1.934190E+01           8.440800E-02     
  4      7.975720E+00           2.139990E-01     
  5      3.398230E+00           3.359800E-01     
  6      1.409320E+00           3.573010E-01     
  7      5.488580E-01           2.645780E-01     
D   7
  1      1.738970E+02          -3.363000E-03     
  2      5.188690E+01          -2.607900E-02     
  3      1.934190E+01          -1.082310E-01     
  4      7.975720E+00          -2.822170E-01     
  5      3.398230E+00          -3.471900E-01     
  6      1.409320E+00           2.671100E-02     
  7      5.488580E-01           4.920470E-01     
D   1
  1      1.901990E-01           1.0000000        
D   1
  1      6.591000E-02           1.0000000        
F   2
  1      5.028600E+00           4.242800E-01     
  2      1.259400E+00           7.630250E-01     
F   1
  1      4.617200E-01           1.0000000        


name: aug-cc-pVDZ
description: VDZ2PD Valence Double Zeta + Polarization + Diffuse
elt: Zn
data:
ZINC
S   19
  1      5.820021E+06           8.549241E-06     
  2      8.715234E+05           6.647410E-05     
  3      1.983350E+05           3.494962E-04     
  4      5.617631E+04           1.473832E-03     
  5      1.832582E+04           5.338330E-03     
  6      6.614955E+03           1.712708E-02     
  7      2.579199E+03           4.894085E-02     
  8      1.068849E+03           1.217934E-01     
  9      4.651045E+02           2.476589E-01     
 10      2.104130E+02           3.582431E-01     
 11      9.761629E+01           2.798174E-01     
 12      4.438020E+01           6.857491E-02     
 13      2.142308E+01          -1.311092E-03     
 14      1.030891E+01           1.914001E-03     
 15      4.553645E+00          -8.759220E-04     
 16      2.132821E+00           3.740096E-04     
 17      9.296970E-01          -1.401399E-04     
 18      1.921470E-01           4.757132E-05     
 19      8.759500E-02          -3.642711E-05     
S   19
  1      5.820021E+06          -2.640069E-06     
  2      8.715234E+05          -2.052720E-05     
  3      1.983350E+05          -1.079859E-04     
  4      5.617631E+04          -4.558577E-04     
  5      1.832582E+04          -1.657758E-03     
  6      6.614955E+03          -5.368492E-03     
  7      2.579199E+03          -1.571249E-02     
  8      1.068849E+03          -4.122558E-02     
  9      4.651045E+02          -9.406459E-02     
 10      2.104130E+02          -1.719954E-01     
 11      9.761629E+01          -1.958523E-01     
 12      4.438020E+01           4.532907E-02     
 13      2.142308E+01           5.244442E-01     
 14      1.030891E+01           5.006142E-01     
 15      4.553645E+00           8.945527E-02     
 16      2.132821E+00          -2.146262E-03     
 17      9.296970E-01           2.112113E-03     
 18      1.921470E-01          -4.133980E-04     
 19      8.759500E-02           3.209752E-04     
S   19
  1      5.820021E+06           9.967103E-07     
  2      8.715234E+05           7.754163E-06     
  3      1.983350E+05           4.076019E-05     
  4      5.617631E+04           1.722811E-04     
  5      1.832582E+04           6.259370E-04     
  6      6.614955E+03           2.032855E-03     
  7      2.579199E+03           5.954646E-03     
  8      1.068849E+03           1.576640E-02     
  9      4.651045E+02           3.637638E-02     
 10      2.104130E+02           6.892343E-02     
 11      9.761629E+01           8.238093E-02     
 12      4.438020E+01          -2.011360E-02     
 13      2.142308E+01          -3.252526E-01     
 14      1.030891E+01          -4.602899E-01     
 15      4.553645E+00           1.635546E-01     
 16      2.132821E+00           7.297118E-01     
 17      9.296970E-01           3.769751E-01     
 18      1.921470E-01           1.433224E-02     
 19      8.759500E-02          -6.671210E-03     
S   19
  1      5.820021E+06           1.995818E-07     
  2      8.715234E+05           1.552973E-06     
  3      1.983350E+05           8.161259E-06     
  4      5.617631E+04           3.450747E-05     
  5      1.832582E+04           1.253275E-04     
  6      6.614955E+03           4.072990E-04     
  7      2.579199E+03           1.192734E-03     
  8      1.068849E+03           3.163140E-03     
  9      4.651045E+02           7.303942E-03     
 10      2.104130E+02           1.391279E-02     
 11      9.761629E+01           1.670620E-02     
 12      4.438020E+01          -4.035586E-03     
 13      2.142308E+01          -6.968861E-02     
 14      1.030891E+01          -1.030105E-01     
 15      4.553645E+00           4.471442E-02     
 16      2.132821E+00           2.150027E-01     
 17      9.296970E-01           2.220163E-01     
 18      1.921470E-01          -3.114776E-01     
 19      8.759500E-02          -5.693429E-01     
S   19
  1      5.820021E+06          -5.435910E-07     
  2      8.715234E+05          -4.336894E-06     
  3      1.983350E+05          -2.197572E-05     
  4      5.617631E+04          -9.747392E-05     
  5      1.832582E+04          -3.331615E-04     
  6      6.614955E+03          -1.166192E-03     
  7      2.579199E+03          -3.119308E-03     
  8      1.068849E+03          -9.239504E-03     
  9      4.651045E+02          -1.855471E-02     
 10      2.104130E+02          -4.281189E-02     
 11      9.761629E+01          -3.571095E-02     
 12      4.438020E+01          -1.638350E-02     
 13      2.142308E+01           2.644664E-01     
 14      1.030891E+01           2.086588E-01     
 15      4.553645E+00          -1.774382E-02     
 16      2.132821E+00          -1.353873E+00     
 17      9.296970E-01           8.182926E-01     
 18      1.921470E-01           1.695036E+00     
 19      8.759500E-02          -1.388656E+00     
S   1
  1      3.770200E-02           1.0000000        
S   1
  1      1.623000E-02           1.0000000        
P   15
  1      2.441198E+04           4.100000E-05     
  2      5.778518E+03           3.610000E-04     
  3      1.876862E+03           2.088000E-03     
  4      7.182361E+02           9.221000E-03     
  5      3.048327E+02           3.277300E-02     
  6      1.390453E+02           9.417900E-02     
  7      6.680417E+01           2.091320E-01     
  8      3.320699E+01           3.345690E-01     
  9      1.692816E+01           3.303590E-01     
 10      8.696229E+00           1.523470E-01     
 11      4.350510E+00           2.298400E-02     
 12      2.116523E+00           1.607000E-03     
 13      9.953870E-01           4.680000E-04     
 14      3.781120E-01           6.600000E-05     
 15      1.345790E-01          -2.000000E-06     
P   15
  1      2.441198E+04          -1.500000E-05     
  2      5.778518E+03          -1.350000E-04     
  3      1.876862E+03          -7.820000E-04     
  4      7.182361E+02          -3.478000E-03     
  5      3.048327E+02          -1.252000E-02     
  6      1.390453E+02          -3.701600E-02     
  7      6.680417E+01          -8.555900E-02     
  8      3.320699E+01          -1.447180E-01     
  9      1.692816E+01          -1.434420E-01     
 10      8.696229E+00           4.359500E-02     
 11      4.350510E+00           3.488880E-01     
 12      2.116523E+00           4.538650E-01     
 13      9.953870E-01           2.685940E-01     
 14      3.781120E-01           3.886800E-02     
 15      1.345790E-01          -2.492000E-03     
P   15
  1      2.441198E+04           3.000000E-06     
  2      5.778518E+03           2.500000E-05     
  3      1.876862E+03           1.440000E-04     
  4      7.182361E+02           6.450000E-04     
  5      3.048327E+02           2.311000E-03     
  6      1.390453E+02           6.898000E-03     
  7      6.680417E+01           1.588200E-02     
  8      3.320699E+01           2.735000E-02     
  9      1.692816E+01           2.662100E-02     
 10      8.696229E+00          -1.085800E-02     
 11      4.350510E+00          -7.985300E-02     
 12      2.116523E+00          -1.061270E-01     
 13      9.953870E-01          -6.888300E-02     
 14      3.781120E-01           1.843850E-01     
 15      1.345790E-01           5.617880E-01     
P   15
  1      2.441198E+04           5.000000E-06     
  2      5.778518E+03           4.200000E-05     
  3      1.876862E+03           2.380000E-04     
  4      7.182361E+02           1.088000E-03     
  5      3.048327E+02           3.821000E-03     
  6      1.390453E+02           1.164400E-02     
  7      6.680417E+01           2.616700E-02     
  8      3.320699E+01           4.675000E-02     
  9      1.692816E+01           4.330900E-02     
 10      8.696229E+00          -1.342900E-02     
 11      4.350510E+00          -1.538970E-01     
 12      2.116523E+00          -1.674130E-01     
 13      9.953870E-01          -8.499500E-02     
 14      3.781120E-01           4.508130E-01     
 15      1.345790E-01           6.408690E-01     
P   1
  1      4.628200E-02           1.0000000        
P   1
  1      1.592000E-02           1.0000000        
D   7
  1      2.056177E+02           2.342000E-03     
  2      6.144981E+01           1.860600E-02     
  3      2.305689E+01           7.710200E-02     
  4      9.577739E+00           2.020260E-01     
  5      4.133734E+00           3.294540E-01     
  6      1.747518E+00           3.609760E-01     
  7      6.995600E-01           2.716570E-01     
D   7
  1      2.056177E+02           3.279000E-03     
  2      6.144981E+01           2.617600E-02     
  3      2.305689E+01           1.113670E-01     
  4      9.577739E+00           3.045810E-01     
  5      4.133734E+00           3.862990E-01     
  6      1.747518E+00          -5.837500E-02     
  7      6.995600E-01          -5.388760E-01     
D   1
  1      2.516080E-01           1.0000000        
D   1
  1      9.049000E-02           1.0000000        
F   2
  1      5.734400E+00           4.311320E-01     
  2      1.461500E+00           7.546420E-01     
F   1
  1      5.486100E-01           1.0000000        


name: aug-cc-pVDZ
description: VDZ2PD Valence Double Zeta + Polarization + Diffuse
elt: Ga
data:
GALLIUM
S   13
  1 485130.0000000              0.0002068        
  2  72719.0000000              0.0016047        
  3  16552.0000000              0.0083402        
  4   4687.8000000              0.0340248        
  5   1529.1000000              0.1111699        
  6    551.8100000              0.2753930        
  7    215.1800000              0.4212628        
  8     88.1740000              0.2738906        
  9     27.1540000              0.0283720        
 10     11.5030000             -0.0062931        
 11      3.3018000              0.0020606        
 12      1.3314000             -0.0009269        
 13      0.1931600              0.0002273        
S   13
  1 485130.0000000             -0.0000643        
  2  72719.0000000             -0.0004954        
  3  16552.0000000             -0.0026208        
  4   4687.8000000             -0.0106839        
  5   1529.1000000             -0.0374123        
  6    551.8100000             -0.1009636        
  7    215.1800000             -0.2145141        
  8     88.1740000             -0.1752297        
  9     27.1540000              0.4831599        
 10     11.5030000              0.6323677        
 11      3.3018000              0.0684942        
 12      1.3314000             -0.0118712        
 13      0.1931600              0.0026652        
S   13
  1 485130.0000000              0.0000245        
  2  72719.0000000              0.0001895        
  3  16552.0000000              0.0009964        
  4   4687.8000000              0.0041082        
  5   1529.1000000              0.0142938        
  6    551.8100000              0.0398034        
  7    215.1800000              0.0855940        
  8     88.1740000              0.0796305        
  9     27.1540000             -0.2939107        
 10     11.5030000             -0.5263914        
 11      3.3018000              0.5864249        
 12      1.3314000              0.6726347        
 13      0.1931600              0.0276123        
S   13
  1 485130.0000000             -0.0000057        
  2  72719.0000000             -0.0000440        
  3  16552.0000000             -0.0002305        
  4   4687.8000000             -0.0009544        
  5   1529.1000000             -0.0033055        
  6    551.8100000             -0.0092888        
  7    215.1800000             -0.0198644        
  8     88.1740000             -0.0190888        
  9     27.1540000              0.0732356        
 10     11.5030000              0.1341526        
 11      3.3018000             -0.1831929        
 12      1.3314000             -0.3571308        
 13      0.1931600              0.6246013        
S   1
  1      0.0708950              1.0000000        
S   1
  1      0.0243480              1.0000000        
P   10
  1   3248.6000000              0.0015260        
  2    769.9700000              0.0127486        
  3    248.2000000              0.0633742        
  4     93.3640000              0.2065775        
  5     38.2510000              0.4092963        
  6     16.4220000              0.3919183        
  7      6.7918000              0.1029441        
  8      2.8336000             -0.0007203        
  9      1.1062000              0.0020950        
 10      0.2225000             -0.0003290        
P   10
  1   3248.6000000             -0.0005803        
  2    769.9700000             -0.0048647        
  3    248.2000000             -0.0248394        
  4     93.3640000             -0.0841759        
  5     38.2510000             -0.1800885        
  6     16.4220000             -0.1585555        
  7      6.7918000              0.2355376        
  8      2.8336000              0.5820587        
  9      1.1062000              0.3366619        
 10      0.2225000              0.0171912        
P   10
  1   3248.6000000              0.0000950        
  2    769.9700000              0.0007832        
  3    248.2000000              0.0040855        
  4     93.3640000              0.0135987        
  5     38.2510000              0.0302695        
  6     16.4220000              0.0241790        
  7      6.7918000             -0.0423777        
  8      2.8336000             -0.1265661        
  9      1.1062000             -0.0499444        
 10      0.2225000              0.4494199        
P   1
  1      0.0617720              1.0000000        
P   1
  1      0.0151640              1.0000000        
D   5
  1     65.3370000              0.0273825        
  2     18.4970000              0.1510805        
  3      6.3150000              0.3749217        
  4      2.1635000              0.4750799        
  5      0.6667500              0.2982750        
D   1
  1      0.1884000              1.0000000        
D   1
  1      0.0537000              1.0000000        


name: aug-cc-pVDZ
description: VDZ2PD Valence Double Zeta + Polarization + Diffuse
elt: Ge
data:
GERMANIUM
S   13
  1 521800.0000000              0.0002045        
  2  78214.0000000              0.0015868        
  3  17803.0000000              0.0082480        
  4   5041.9000000              0.0336649        
  5   1644.5000000              0.1101249        
  6    593.4300000              0.2735607        
  7    231.3600000              0.4210670        
  8     94.7620000              0.2766791        
  9     29.2740000              0.0292180        
 10     12.4500000             -0.0065903        
 11      3.6463000              0.0022430        
 12      1.5025000             -0.0010382        
 13      0.2450300              0.0002695        
S   13
  1 521800.0000000             -0.0000638        
  2  78214.0000000             -0.0004916        
  3  17803.0000000             -0.0026002        
  4   5041.9000000             -0.0106080        
  5   1644.5000000             -0.0371602        
  6    593.4300000             -0.1005790        
  7    231.3600000             -0.2143977        
  8     94.7620000             -0.1782617        
  9     29.2740000              0.4777404        
 10     12.4500000              0.6355983        
 11      3.6463000              0.0722174        
 12      1.5025000             -0.0127265        
 13      0.2450300              0.0029608        
S   13
  1 521800.0000000              0.0000246        
  2  78214.0000000              0.0001900        
  3  17803.0000000              0.0009993        
  4   5041.9000000              0.0041200        
  5   1644.5000000              0.0143557        
  6    593.4300000              0.0400375        
  7    231.3600000              0.0865794        
  8     94.7620000              0.0815861        
  9     29.2740000             -0.2934770        
 10     12.4500000             -0.5367983        
 11      3.6463000              0.5637985        
 12      1.5025000              0.6947182        
 13      0.2450300              0.0315730        
S   13
  1 521800.0000000             -0.0000063        
  2  78214.0000000             -0.0000486        
  3  17803.0000000             -0.0002553        
  4   5041.9000000             -0.0010560        
  5   1644.5000000             -0.0036674        
  6    593.4300000             -0.0103053        
  7    231.3600000             -0.0222200        
  8     94.7620000             -0.0215275        
  9     29.2740000              0.0806752        
 10     12.4500000              0.1524958        
 11      3.6463000             -0.1980528        
 12      1.5025000             -0.4073954        
 13      0.2450300              0.6477288        
S   1
  1      0.0915940              1.0000000        
S   1
  1      0.0339610              1.0000000        
P   10
  1   3568.1000000              0.0014591        
  2    845.7200000              0.0122176        
  3    272.7400000              0.0610490        
  4    102.6800000              0.2008039        
  5     42.1480000              0.4038942        
  6     18.1490000              0.3970027        
  7      7.5934000              0.1105481        
  8      3.1964000              0.0000768        
  9      1.2743000              0.0021263        
 10      0.2825800             -0.0003744        
P   10
  1   3568.1000000             -0.0005630        
  2    845.7200000             -0.0047354        
  3    272.7400000             -0.0242643        
  4    102.6800000             -0.0830900        
  5     42.1480000             -0.1800247        
  6     18.1490000             -0.1663295        
  7      7.5934000              0.2193717        
  8      3.1964000              0.5820239        
  9      1.2743000              0.3477720        
 10      0.2825800              0.0192455        
P   10
  1   3568.1000000              0.0001115        
  2    845.7200000              0.0009212        
  3    272.7400000              0.0048273        
  4    102.6800000              0.0162272        
  5     42.1480000              0.0366354        
  6     18.1490000              0.0307867        
  7      7.5934000             -0.0480643        
  8      3.1964000             -0.1559804        
  9      1.2743000             -0.0632370        
 10      0.2825800              0.5040819        
P   1
  1      0.0840900              1.0000000        
P   1
  1      0.0239450              1.0000000        
D   5
  1     74.7620000              0.0257684        
  2     21.3020000              0.1454421        
  3      7.3436000              0.3713721        
  4      2.5651000              0.4800002        
  5      0.8197000              0.2896800        
D   1
  1      0.2470000              1.0000000        
D   1
  1      0.0771000              1.0000000        


name: aug-cc-pVDZ
description: VDZ2PD Valence Double Zeta + Polarization + Diffuse
elt: As
data:
ARSENIC
S   13
  1 559583.7900000              0.0002024        
  2  83879.3300000              0.0015709        
  3  19092.6680000              0.0081662        
  4   5407.3925000              0.0333399        
  5   1763.7559000              0.1091726        
  6    636.4567200              0.2718853        
  7    248.0884300              0.4208509        
  8    101.5785100              0.2792257        
  9     31.4755130              0.0300301        
 10     13.4372820             -0.0068804        
 11      4.0086900              0.0024240        
 12      1.6849290             -0.0011491        
 13      0.3000190              0.0003095        
S   13
  1 559583.7900000             -0.0000634        
  2  83879.3300000             -0.0004883        
  3  19092.6680000             -0.0025821        
  4   5407.3925000             -0.0105402        
  5   1763.7559000             -0.0369325        
  6    636.4567200             -0.1002355        
  7    248.0884300             -0.2142948        
  8    101.5785100             -0.1810526        
  9     31.4755130              0.4725410        
 10     13.4372820              0.6386194        
 11      4.0086900              0.0758107        
 12      1.6849290             -0.0135278        
 13      0.3000190              0.0031970        
S   13
  1 559583.7900000              0.0000246        
  2  83879.3300000              0.0001907        
  3  19092.6680000              0.0010031        
  4   5407.3925000              0.0041353        
  5   1763.7559000              0.0144259        
  6    636.4567200              0.0402962        
  7    248.0884300              0.0875670        
  8    101.5785100              0.0835178        
  9     31.4755130             -0.2932935        
 10     13.4372820             -0.5470520        
 11      4.0086900              0.5438738        
 12      1.6849290              0.7143591        
 13      0.3000190              0.0353443        
S   13
  1 559583.7900000             -0.0000068        
  2  83879.3300000             -0.0000525        
  3  19092.6680000             -0.0002756        
  4   5407.3925000             -0.0011389        
  5   1763.7559000             -0.0039646        
  6    636.4567200             -0.0111423        
  7    248.0884300             -0.0241991        
  8    101.5785100             -0.0236339        
  9     31.4755130              0.0866317        
 10     13.4372820              0.1685839        
 11      4.0086900             -0.2091425        
 12      1.6849290             -0.4500918        
 13      0.3000190              0.6603978        
S   1
  1      0.1135870              1.0000000        
S   1
  1      0.0411520              1.0000000        
P   10
  1   3886.3564000              0.0014097        
  2    921.2020100              0.0118277        
  3    297.1931900              0.0593280        
  4    111.9750800              0.1965115        
  5     46.0346210              0.3997891        
  6     19.8741940              0.4004653        
  7      8.3860880              0.1164196        
  8      3.5587280              0.0006918        
  9      1.4472820              0.0021633        
 10      0.3477790             -0.0004150        
P   10
  1   3886.3564000             -0.0005519        
  2    921.2020100             -0.0046550        
  3    297.1931900             -0.0239176        
  4    111.9750800             -0.0825627        
  5     46.0346210             -0.1806791        
  6     19.8741940             -0.1724848        
  7      8.3860880              0.2086700        
  8      3.5587280              0.5823622        
  9      1.4472820              0.3537465        
 10      0.3477790              0.0206439        
P   10
  1   3886.3564000              0.0001236        
  2    921.2020100              0.0010240        
  3    297.1931900              0.0053805        
  4    111.9750800              0.0182443        
  5     46.0346210              0.0415979        
  6     19.8741940              0.0362998        
  7      8.3860880             -0.0523569        
  8      3.5587280             -0.1791667        
  9      1.4472820             -0.0740477        
 10      0.3477790              0.5358094        
P   1
  1      0.1076990              1.0000000        
P   1
  1      0.0312680              1.0000000        
D   5
  1     84.4242340              0.0245288        
  2     24.1815890              0.1411340        
  3      8.4017770              0.3687579        
  4      2.9805020              0.4840626        
  5      0.9790030              0.2824434        
D   1
  1      0.3098000              1.0000000        
D   1
  1      0.1078000              1.0000000        


name: aug-cc-pVDZ
description: VDZ2PD Valence Double Zeta + Polarization + Diffuse
elt: Se
data:
SELENIUM
S   13
  1 598990.0000000              0.0002004        
  2  89783.0000000              0.0015554        
  3  20435.0000000              0.0080872        
  4   5786.9000000              0.0330344        
  5   1887.3000000              0.1082924        
  6    680.9700000              0.2703361        
  7    265.3900000              0.4206236        
  8    108.6300000              0.2815922        
  9     33.7600000              0.0308110        
 10     14.4650000             -0.0071617        
 11      4.3890000              0.0026022        
 12      1.8783000             -0.0012583        
 13      0.3585900              0.0003465        
S   13
  1 598990.0000000             -0.0000629        
  2  89783.0000000             -0.0004850        
  3  20435.0000000             -0.0025644        
  4   5786.9000000             -0.0104761        
  5   1887.3000000             -0.0367223        
  6    680.9700000             -0.0999225        
  7    265.3900000             -0.2141973        
  8    108.6300000             -0.1836593        
  9     33.7600000              0.4675454        
 10     14.4650000              0.6414740        
 11      4.3890000              0.0792569        
 12      1.8783000             -0.0142697        
 13      0.3585900              0.0033792        
S   13
  1 598990.0000000              0.0000247        
  2  89783.0000000              0.0001913        
  3  20435.0000000              0.0010068        
  4   5786.9000000              0.0041514        
  5   1887.3000000              0.0144991        
  6    680.9700000              0.0405658        
  7    265.3900000              0.0885364        
  8    108.6300000              0.0854212        
  9     33.7600000             -0.2932581        
 10     14.4650000             -0.5570727        
 11      4.3890000              0.5261436        
 12      1.8783000              0.7320371        
 13      0.3585900              0.0388246        
S   13
  1 598990.0000000             -0.0000072        
  2  89783.0000000             -0.0000559        
  3  20435.0000000             -0.0002938        
  4   5786.9000000             -0.0012136        
  5   1887.3000000             -0.0042340        
  6    680.9700000             -0.0119035        
  7    265.3900000             -0.0260206        
  8    108.6300000             -0.0256148        
  9     33.7600000              0.0919427        
 10     14.4650000              0.1838700        
 11      4.3890000             -0.2188461        
 12      1.8783000             -0.4896524        
 13      0.3585900              0.6775818        
S   1
  1      0.1364900              1.0000000        
S   1
  1      0.0487470              1.0000000        
P   10
  1   4135.6000000              0.0014127        
  2    980.3400000              0.0118588        
  3    316.3500000              0.0595153        
  4    119.2500000              0.1972201        
  5     49.0680000              0.4007439        
  6     21.2120000              0.3994740        
  7      8.9462000              0.1153364        
  8      3.8236000              0.0002219        
  9      1.5883000              0.0022838        
 10      0.4096900             -0.0004756        
P   10
  1   4135.6000000             -0.0005610        
  2    980.3400000             -0.0047340        
  3    316.3500000             -0.0243504        
  4    119.2500000             -0.0841071        
  5     49.0680000             -0.1841384        
  6     21.2120000             -0.1735004        
  7      8.9462000              0.2167263        
  8      3.8236000              0.5850099        
  9      1.5883000              0.3416816        
 10      0.4096900              0.0199125        
P   10
  1   4135.6000000              0.0001366        
  2    980.3400000              0.0011308        
  3    316.3500000              0.0059581        
  4    119.2500000              0.0201866        
  5     49.0680000              0.0461939        
  6     21.2120000              0.0394050        
  7      8.9462000             -0.0592846        
  8      3.8236000             -0.2014663        
  9      1.5883000             -0.0687821        
 10      0.4096900              0.5595944        
P   1
  1      0.1245900              1.0000000        
P   1
  1      0.0354920              1.0000000        
D   5
  1     94.4720000              0.0234982        
  2     27.1800000              0.1375183        
  3      9.5068000              0.3664824        
  4      3.4168000              0.4874717        
  5      1.1479000              0.2765769        
D   1
  1      0.3682000              1.0000000        
D   1
  1      0.1283000              1.0000000        


name: aug-cc-pVDZ
description: VDZ2PD Valence Double Zeta + Polarization + Diffuse
elt: Br
data:
BROMINE
S   13
  1 640100.0000000              0.0001984        
  2  95938.0000000              0.0015400        
  3  21833.0000000              0.0080096        
  4   6181.9000000              0.0327341        
  5   2015.7000000              0.1074480        
  6    727.1000000              0.2688946        
  7    283.2800000              0.4204411        
  8    115.9100000              0.2838041        
  9     36.1240000              0.0315455        
 10     15.5320000             -0.0074268        
 11      4.7857000              0.0027728        
 12      2.0817000             -0.0013635        
 13      0.4202800              0.0003812        
S   13
  1 640100.0000000             -0.0000625        
  2  95938.0000000             -0.0004816        
  3  21833.0000000             -0.0025466        
  4   6181.9000000             -0.0104112        
  5   2015.7000000             -0.0365179        
  6    727.1000000             -0.0996295        
  7    283.2800000             -0.2141310        
  8    115.9100000             -0.1860911        
  9     36.1240000              0.4628261        
 10     15.5320000              0.6441141        
 11      4.7857000              0.0825502        
 12      2.0817000             -0.0149694        
 13      0.4202800              0.0035288        
S   13
  1 640100.0000000              0.0000248        
  2  95938.0000000              0.0001919        
  3  21833.0000000              0.0010100        
  4   6181.9000000              0.0041659        
  5   2015.7000000              0.0145683        
  6    727.1000000              0.0408345        
  7    283.2800000              0.0894859        
  8    115.9100000              0.0872786        
  9     36.1240000             -0.2933644        
 10     15.5320000             -0.5667109        
 11      4.7857000              0.5105658        
 12      2.0817000              0.7477214        
 13      0.4202800              0.0421512        
S   13
  1 640100.0000000             -0.0000076        
  2  95938.0000000             -0.0000588        
  3  21833.0000000             -0.0003092        
  4   6181.9000000             -0.0012766        
  5   2015.7000000             -0.0044634        
  6    727.1000000             -0.0125575        
  7    283.2800000             -0.0276145        
  8    115.9100000             -0.0273945        
  9     36.1240000              0.0964094        
 10     15.5320000              0.1976871        
 11      4.7857000             -0.2266693        
 12      2.0817000             -0.5241165        
 13      0.4202800              0.6889865        
S   1
  1      0.1606900              1.0000000        
S   1
  1      0.0569460              1.0000000        
P   10
  1   4340.8000000              0.0014448        
  2   1028.9000000              0.0121288        
  3    332.0200000              0.0608077        
  4    125.1600000              0.2009358        
  5     51.5110000              0.4047419        
  6     22.2810000              0.3957151        
  7      9.3417000              0.1102213        
  8      4.0132000             -0.0009090        
  9      1.7002000              0.0024832        
 10      0.4719400             -0.0005744        
P   10
  1   4340.8000000             -0.0005819        
  2   1028.9000000             -0.0049065        
  3    332.0200000             -0.0252514        
  4    125.1600000             -0.0869445        
  5     51.5110000             -0.1893422        
  6     22.2810000             -0.1710882        
  7      9.3417000              0.2368755        
  8      4.0132000              0.5898400        
  9      1.7002000              0.3171944        
 10      0.4719400              0.0179833        
P   10
  1   4340.8000000              0.0001518        
  2   1028.9000000              0.0012563        
  3    332.0200000              0.0066224        
  4    125.1600000              0.0223816        
  5     51.5110000              0.0509717        
  6     22.2810000              0.0414009        
  7      9.3417000             -0.0703970        
  8      4.0132000             -0.2232540        
  9      1.7002000             -0.0564179        
 10      0.4719400              0.5808079        
P   1
  1      0.1442100              1.0000000        
P   1
  1      0.0410490              1.0000000        
D   5
  1    104.8300000              0.0226583        
  2     30.2720000              0.1345895        
  3     10.6490000              0.3647181        
  4      3.8696000              0.4904196        
  5      1.3239000              0.2713885        
D   1
  1      0.4098000              1.0000000        
D   1
  1      0.1719000              1.0000000        


name: aug-cc-pVDZ
description: VDZ2PD Valence Double Zeta + Polarization + Diffuse
elt: Kr
data:
KRYPTON
S   13
  1 681358.8200000              0.0001969        
  2 102126.4800000              0.0015286        
  3  23243.7100000              0.0079500        
  4   6582.0073000              0.0324938        
  5   2146.4286000              0.1067240        
  6    774.3378200              0.2675701        
  7    301.6702000              0.4201851        
  8    123.4118400              0.2858015        
  9     38.5675510              0.0322461        
 10     16.6373790             -0.0076828        
 11      5.1987950              0.0029393        
 12      2.2948140             -0.0014662        
 13      0.4852110              0.0004144        
S   13
  1 681358.8200000             -0.0000622        
  2 102126.4800000             -0.0004794        
  3  23243.7100000             -0.0025341        
  4   6582.0073000             -0.0103636        
  5   2146.4286000             -0.0363516        
  6    774.3378200             -0.0993737        
  7    301.6702000             -0.2140610        
  8    123.4118400             -0.1883192        
  9     38.5675510              0.4583816        
 10     16.6373790              0.6465664        
 11      5.1987950              0.0856579        
 12      2.2948140             -0.0156123        
 13      0.4852110              0.0036490        
S   13
  1 681358.8200000              0.0000249        
  2 102126.4800000              0.0001928        
  3  23243.7100000              0.0010149        
  4   6582.0073000              0.0041857        
  5   2146.4286000              0.0146459        
  6    774.3378200              0.0411070        
  7    301.6702000              0.0903955        
  8    123.4118400              0.0890623        
  9     38.5675510             -0.2935718        
 10     16.6373790             -0.5759698        
 11      5.1987950              0.4968578        
 12      2.2948140              0.7616895        
 13      0.4852110              0.0453267        
S   13
  1 681358.8200000             -0.0000079        
  2 102126.4800000             -0.0000614        
  3  23243.7100000             -0.0003230        
  4   6582.0073000             -0.0013330        
  5   2146.4286000             -0.0046672        
  6    774.3378200             -0.0131352        
  7    301.6702000             -0.0290342        
  8    123.4118400             -0.0290173        
  9     38.5675510              0.1002664        
 10     16.6373790              0.2103818        
 11      5.1987950             -0.2332471        
 12      2.2948140             -0.5546497        
 13      0.4852110              0.6969522        
S   1
  1      0.1862700              1.0000000        
S   1
  1      0.0651450              1.0000000        
P   10
  1   4474.2699000              0.0015195        
  2   1060.5790000              0.0127424        
  3    342.2081200              0.0636465        
  4    128.9984200              0.2085635        
  5     53.0872220              0.4122423        
  6     22.9594250              0.3878103        
  7      9.5073000              0.1003820        
  8      4.0830550             -0.0025078        
  9      1.7504460              0.0027139        
 10      0.5291900             -0.0006977        
P   10
  1   4474.2699000             -0.0006208        
  2   1060.5790000             -0.0052212        
  3    342.2081200             -0.0268463        
  4    128.9984200             -0.0915823        
  5     53.0872220             -0.1968164        
  6     22.9594250             -0.1634750        
  7      9.5073000              0.2738204        
  8      4.0830550              0.5981592        
  9      1.7504460              0.2750453        
 10      0.5291900              0.0127706        
P   10
  1   4474.2699000              0.0001701        
  2   1060.5790000              0.0014064        
  3    342.2081200              0.0073963        
  4    128.9984200              0.0248254        
  5     53.0872220              0.0557155        
  6     22.9594250              0.0412132        
  7      9.5073000             -0.0876057        
  8      4.0830550             -0.2440586        
  9      1.7504460             -0.0295007        
 10      0.5291900              0.6012295        
P   1
  1      0.1643690              1.0000000        
P   1
  1      0.0466060              1.0000000        
D   5
  1    115.5253200              0.0219557        
  2     33.4652460              0.1321620        
  3     11.8304590              0.3633484        
  4      4.3397710              0.4929582        
  5      1.5075240              0.2667560        
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-DK
description: V5ZPD All-electron Douglas-Kroll Valence Quintuple Zeta + Polarization
elt: H
data:
HYDROGEN
S   3
  1     13.0100000              0.0196977        
  2      1.9620000              0.1379911        
  3      0.4446000              0.4781418        
S   1
  1      0.1220000              1.0000000        
S   1
  1      0.0297400              1.0000000        
P   1
  1      0.7270000              1.0000000        
P   1
  1      0.1410000              1.0000000        


name: aug-cc-pVDZ-DK
description: V5ZPD All-electron Douglas-Kroll Valence Quintuple Zeta + Polarization
elt: He
data:
HELIUM
S   3
  1     38.3600000              0.0238545        
  2      5.7700000              0.1549249        
  3      1.2400000              0.4699567        
S   1
  1      0.2976000              1.0000000        
S   1
  1      0.0725500              1.0000000        
P   1
  1      1.2750000              1.0000000        
P   1
  1      0.2473000              1.0000000        


name: aug-cc-pVDZ-DK
description: V5ZPD All-electron Douglas-Kroll Valence Quintuple Zeta + Polarization
elt: Li
data:
LITHIUM
S   8
  1   1469.0000000              0.0008088        
  2    220.5000000              0.0059351        
  3     50.2600000              0.0297426        
  4     14.2400000              0.1092518        
  5      4.5810000              0.2828208        
  6      1.5800000              0.4530721        
  7      0.5640000              0.2747044        
  8      0.0734500              0.0097522        
S   8
  1   1469.0000000             -0.0001265        
  2    220.5000000             -0.0009296        
  3     50.2600000             -0.0047009        
  4     14.2400000             -0.0176977        
  5      4.5810000             -0.0489110        
  6      1.5800000             -0.0960241        
  7      0.5640000             -0.1363226        
  8      0.0734500              0.5752286        
S   1
  1      0.0280500              1.0000000        
S   1
  1      0.0086400              1.0000000        
P   3
  1      1.5340000              0.0227857        
  2      0.2749000              0.1391025        
  3      0.0736200              0.5003752        
P   1
  1      0.0240300              1.0000000        
P   1
  1      0.0057900              1.0000000        
D   1
  1      0.1239000              1.0000000        
D   1
  1      0.0725000              1.0000000        


name: aug-cc-pVDZ-DK
description: V5ZPD All-electron Douglas-Kroll Valence Quintuple Zeta + Polarization
elt: Be
data:
BERYLLIUM
S   8
  1   2940.0000000              0.0007540        
  2    441.2000000              0.0053133        
  3    100.5000000              0.0267325        
  4     28.4300000              0.1001318        
  5      9.1690000              0.2697812        
  6      3.1960000              0.4513833        
  7      1.1590000              0.2949205        
  8      0.1811000              0.0125867        
S   8
  1   2940.0000000             -0.0001366        
  2    441.2000000             -0.0009801        
  3    100.5000000             -0.0048561        
  4     28.4300000             -0.0193487        
  5      9.1690000             -0.0533058        
  6      3.1960000             -0.1207608        
  7      1.1590000             -0.1332909        
  8      0.1811000              0.5309727        
S   1
  1      0.0589000              1.0000000        
S   1
  1      0.0187700              1.0000000        
P   3
  1      3.6190000              0.0291050        
  2      0.7110000              0.1694665        
  3      0.1951000              0.5129691        
P   1
  1      0.0601800              1.0000000        
P   1
  1      0.0085000              1.0000000        
D   1
  1      0.2380000              1.0000000        
D   1
  1      0.0740000              1.0000000        


name: aug-cc-pVDZ-DK
description: V5ZPD All-electron Douglas-Kroll Valence Quintuple Zeta + Polarization
elt: B
data:
BORON
S   8
  1   4570.0000000              0.0008100        
  2    685.9000000              0.0054774        
  3    156.5000000              0.0273355        
  4     44.4700000              0.1016067        
  5     14.4800000              0.2721905        
  6      5.1310000              0.4482545        
  7      1.8980000              0.2898816        
  8      0.3329000              0.0143047        
S   8
  1   4570.0000000             -0.0001625        
  2    685.9000000             -0.0011233        
  3    156.5000000             -0.0054882        
  4     44.4700000             -0.0219811        
  5     14.4800000             -0.0598059        
  6      5.1310000             -0.1388011        
  7      1.8980000             -0.1312193        
  8      0.3329000              0.5399343        
S   1
  1      0.1043000              1.0000000        
S   1
  1      0.0310500              1.0000000        
P   3
  1      6.0010000              0.0355071        
  2      1.2410000              0.1980586        
  3      0.3364000              0.5051304        
P   1
  1      0.0953800              1.0000000        
P   1
  1      0.0237800              1.0000000        
D   1
  1      0.3430000              1.0000000        
D   1
  1      0.0904000              1.0000000        


name: aug-cc-pVDZ-DK
description: V5ZPD All-electron Douglas-Kroll Valence Quintuple Zeta + Polarization
elt: C
data:
CARBON
S   8
  1   6665.0000000              0.0008517        
  2   1000.0000000              0.0055121        
  3    228.0000000              0.0273690        
  4     64.7100000              0.1020568        
  5     21.0600000              0.2749479        
  6      7.4950000              0.4483409        
  7      2.7970000              0.2847131        
  8      0.5215000              0.0151750        
S   8
  1   6665.0000000             -0.0001803        
  2   1000.0000000             -0.0011949        
  3    228.0000000             -0.0057943        
  4     64.7100000             -0.0234166        
  5     21.0600000             -0.0640500        
  6      7.4950000             -0.1500919        
  7      2.7970000             -0.1268376        
  8      0.5215000              0.5451602        
S   1
  1      0.1596000              1.0000000        
S   1
  1      0.0469000              1.0000000        
P   3
  1      9.4390000              0.0381635        
  2      2.0020000              0.2094925        
  3      0.5456000              0.5084477        
P   1
  1      0.1517000              1.0000000        
P   1
  1      0.0404100              1.0000000        
D   1
  1      0.5500000              1.0000000        
D   1
  1      0.1510000              1.0000000        


name: aug-cc-pVDZ-DK
description: V5ZPD All-electron Douglas-Kroll Valence Quintuple Zeta + Polarization
elt: N
data:
NITROGEN
S   8
  1   9046.0000000              0.0009106        
  2   1357.0000000              0.0056444        
  3    309.3000000              0.0278072        
  4     87.7300000              0.1036805        
  5     28.5600000              0.2790142        
  6     10.2100000              0.4482216        
  7      3.8380000              0.2777373        
  8      0.7466000              0.0153993        
S   8
  1   9046.0000000             -0.0001995        
  2   1357.0000000             -0.0012669        
  3    309.3000000             -0.0060906        
  4     87.7300000             -0.0246970        
  5     28.5600000             -0.0676028        
  6     10.2100000             -0.1582335        
  7      3.8380000             -0.1212060        
  8      0.7466000              0.5498871        
S   1
  1      0.2248000              1.0000000        
S   1
  1      0.0612400              1.0000000        
P   3
  1     13.5500000              0.0400103        
  2      2.9170000              0.2172132        
  3      0.7973000              0.5101907        
P   1
  1      0.2185000              1.0000000        
P   1
  1      0.0561100              1.0000000        
D   1
  1      0.8170000              1.0000000        
D   1
  1      0.2300000              1.0000000        


name: aug-cc-pVDZ-DK
description: V5ZPD All-electron Douglas-Kroll Valence Quintuple Zeta + Polarization
elt: O
data:
OXYGEN
S   8
  1  11720.0000000              0.0009775        
  2   1759.0000000              0.0058106        
  3    400.8000000              0.0283649        
  4    113.7000000              0.1054311        
  5     37.0300000              0.2834470        
  6     13.2700000              0.4482844        
  7      5.0250000              0.2702944        
  8      1.0130000              0.0154031        
S   8
  1  11720.0000000             -0.0002206        
  2   1759.0000000             -0.0013435        
  3    400.8000000             -0.0064010        
  4    113.7000000             -0.0259275        
  5     37.0300000             -0.0711286        
  6     13.2700000             -0.1656153        
  7      5.0250000             -0.1160807        
  8      1.0130000              0.5585241        
S   1
  1      0.3023000              1.0000000        
S   1
  1      0.0789600              1.0000000        
P   3
  1     17.7000000              0.0431553        
  2      3.8540000              0.2289863        
  3      1.0460000              0.5086083        
P   1
  1      0.2753000              1.0000000        
P   1
  1      0.0685600              1.0000000        
D   1
  1      1.1850000              1.0000000        
D   1
  1      0.3320000              1.0000000        


name: aug-cc-pVDZ-DK
description: V5ZPD All-electron Douglas-Kroll Valence Quintuple Zeta + Polarization
elt: F
data:
FLUORINE
S   8
  1  14710.0000000              0.0010485        
  2   2207.0000000              0.0059913        
  3    502.8000000              0.0289399        
  4    142.6000000              0.1072562        
  5     46.4700000              0.2873039        
  6     16.7000000              0.4480684        
  7      6.3560000              0.2639263        
  8      1.3160000              0.0152658        
S   8
  1  14710.0000000             -0.0002416        
  2   2207.0000000             -0.0014140        
  3    502.8000000             -0.0066702        
  4    142.6000000             -0.0269705        
  5     46.4700000             -0.0739670        
  6     16.7000000             -0.1710341        
  7      6.3560000             -0.1111695        
  8      1.3160000              0.5643084        
S   1
  1      0.3897000              1.0000000        
S   1
  1      0.0986300              1.0000000        
P   3
  1     22.6700000              0.0450688        
  2      4.9770000              0.2358286        
  3      1.3470000              0.5083765        
P   1
  1      0.3471000              1.0000000        
P   1
  1      0.0850200              1.0000000        
D   1
  1      1.6400000              1.0000000        
D   1
  1      0.4640000              1.0000000        


name: aug-cc-pVDZ-DK
description: V5ZPD All-electron Douglas-Kroll Valence Quintuple Zeta + Polarization
elt: Ne
data:
NEON
S   8
  1  17880.0000000              0.0011307        
  2   2683.0000000              0.0062267        
  3    611.5000000              0.0297204        
  4    173.5000000              0.1095553        
  5     56.6400000              0.2915077        
  6     20.4200000              0.4475884        
  7      7.8100000              0.2570002        
  8      1.6530000              0.0149818        
S   8
  1  17880.0000000             -0.0002646        
  2   2683.0000000             -0.0014920        
  3    611.5000000             -0.0069592        
  4    173.5000000             -0.0280213        
  5     56.6400000             -0.0765658        
  6     20.4200000             -0.1755371        
  7      7.8100000             -0.1055539        
  8      1.6530000              0.5688922        
S   1
  1      0.4869000              1.0000000        
S   1
  1      0.1230000              1.0000000        
P   3
  1     28.3900000              0.0463396        
  2      6.2700000              0.2403369        
  3      1.6950000              0.5085722        
P   1
  1      0.4317000              1.0000000        
P   1
  1      0.1064000              1.0000000        
D   1
  1      2.2020000              1.0000000        
D   1
  1      0.6310000              1.0000000        


name: aug-cc-pVDZ-DK
description: V5ZPD All-electron Douglas-Kroll Valence Quintuple Zeta + Polarization
elt: Na
data:
SODIUM
S   11
  1  31700.0000000              0.0008311        
  2   4755.0000000              0.0041340        
  3   1082.0000000              0.0191397        
  4    306.4000000              0.0728293        
  5     99.5300000              0.2133784        
  6     35.4200000              0.4159265        
  7     13.3000000              0.3715352        
  8      4.3920000              0.0621051        
  9      1.6760000             -0.0061919        
 10      0.5889000              0.0024142        
 11      0.0564000             -0.0004383        
S   11
  1  31700.0000000             -0.0002038        
  2   4755.0000000             -0.0010156        
  3   1082.0000000             -0.0047499        
  4    306.4000000             -0.0185222        
  5     99.5300000             -0.0585794        
  6     35.4200000             -0.1380784        
  7     13.3000000             -0.1930778        
  8      4.3920000              0.0879880        
  9      1.6760000              0.6050688        
 10      0.5889000              0.4394039        
 11      0.0564000              0.0128079        
S   11
  1  31700.0000000              0.0000309        
  2   4755.0000000              0.0001529        
  3   1082.0000000              0.0007238        
  4    306.4000000              0.0027815        
  5     99.5300000              0.0090308        
  6     35.4200000              0.0208612        
  7     13.3000000              0.0317768        
  8      4.3920000             -0.0194200        
  9      1.6760000             -0.1031810        
 10      0.5889000             -0.1979506        
 11      0.0564000              0.6591622        
S   1
  1      0.0230700              1.0000000        
S   1
  1      0.0072500              1.0000000        
P   7
  1    138.1000000              0.0059396        
  2     32.2400000              0.0418154        
  3      9.9850000              0.1631422        
  4      3.4840000              0.3593556        
  5      1.2310000              0.4497397        
  6      0.4177000              0.2275315        
  7      0.0651300              0.0081254        
P   7
  1    138.1000000             -0.0005957        
  2     32.2400000             -0.0040976        
  3      9.9850000             -0.0168211        
  4      3.4840000             -0.0353193        
  5      1.2310000             -0.0521735        
  6      0.4177000             -0.0168239        
  7      0.0651300              0.4346322        
P   1
  1      0.0205300              1.0000000        
P   1
  1      0.0063300              1.0000000        
D   1
  1      0.0973000              1.0000000        
D   1
  1      0.0468000              1.0000000        


name: aug-cc-pVDZ-DK
description: V5ZPD All-electron Douglas-Kroll Valence Quintuple Zeta + Polarization
elt: Mg
data:
MAGNESIUM
S   11
  1  47390.0000000              0.0007178        
  2   7108.0000000              0.0033145        
  3   1618.0000000              0.0147967        
  4    458.4000000              0.0564860        
  5    149.3000000              0.1710009        
  6     53.5900000              0.3648575        
  7     20.7000000              0.4052922        
  8      8.3840000              0.1341815        
  9      2.5420000              0.0048781        
 10      0.8787000              0.0002821        
 11      0.1077000              0.0000277        
S   11
  1  47390.0000000             -0.0001825        
  2   7108.0000000             -0.0008391        
  3   1618.0000000             -0.0038204        
  4    458.4000000             -0.0146306        
  5    149.3000000             -0.0482828        
  6     53.5900000             -0.1154055        
  7     20.7000000             -0.2004640        
  8      8.3840000             -0.0317073        
  9      2.5420000              0.5725837        
 10      0.8787000              0.5391743        
 11      0.1077000              0.0214564        
S   11
  1  47390.0000000              0.0000352        
  2   7108.0000000              0.0001616        
  3   1618.0000000              0.0007401        
  4    458.4000000              0.0028164        
  5    149.3000000              0.0094299        
  6     53.5900000              0.0224423        
  7     20.7000000              0.0410435        
  8      8.3840000              0.0050180        
  9      2.5420000             -0.1350467        
 10      0.8787000             -0.2547294        
 11      0.1077000              0.6092437        
S   1
  1      0.0399900              1.0000000        
S   1
  1      0.0148800              1.0000000        
P   7
  1    179.9000000              0.0055546        
  2     42.1400000              0.0395455        
  3     13.1300000              0.1578179        
  4      4.6280000              0.3585344        
  5      1.6700000              0.4569075        
  6      0.5857000              0.2158495        
  7      0.1311000              0.0067001        
P   7
  1    179.9000000             -0.0008908        
  2     42.1400000             -0.0061865        
  3     13.1300000             -0.0261337        
  4      4.6280000             -0.0568221        
  5      1.6700000             -0.0871624        
  6      0.5857000             -0.0121730        
  7      0.1311000              0.4982604        
P   1
  1      0.0411200              1.0000000        
P   1
  1      0.0093500              1.0000000        
D   1
  1      0.1870000              1.0000000        
D   1
  1      0.0595000              1.0000000        


name: aug-cc-pVDZ-DK
description: V5ZPD All-electron Douglas-Kroll Valence Quintuple Zeta + Polarization
elt: Al
data:
ALUMINUM
S   11
  1  64150.0000000              0.0006736        
  2   9617.0000000              0.0029457        
  3   2189.0000000              0.0127173        
  4    620.5000000              0.0482122        
  5    202.7000000              0.1479148        
  6     73.1500000              0.3307763        
  7     28.5500000              0.4142651        
  8     11.7700000              0.1878554        
  9      3.3000000              0.0114868        
 10      1.1730000             -0.0012718        
 11      0.1752000              0.0004225        
S   11
  1  64150.0000000             -0.0001763        
  2   9617.0000000             -0.0007667        
  3   2189.0000000             -0.0033824        
  4    620.5000000             -0.0127779        
  5    202.7000000             -0.0426908        
  6     73.1500000             -0.1039923        
  7     28.5500000             -0.1964148        
  8     11.7700000             -0.0801420        
  9      3.3000000              0.5440095        
 10      1.1730000              0.5750364        
 11      0.1752000              0.0282815        
S   11
  1  64150.0000000              0.0000407        
  2   9617.0000000              0.0001769        
  3   2189.0000000              0.0007821        
  4    620.5000000              0.0029518        
  5    202.7000000              0.0099318        
  6     73.1500000              0.0243442        
  7     28.5500000              0.0474816        
  8     11.7700000              0.0197081        
  9      3.3000000             -0.1602974        
 10      1.1730000             -0.3096187        
 11      0.1752000              0.6239180        
S   1
  1      0.0647300              1.0000000        
S   1
  1      0.0231000              1.0000000        
P   7
  1    258.8000000              0.0042537        
  2     60.8900000              0.0310267        
  3     19.1400000              0.1296450        
  4      6.8810000              0.3209730        
  5      2.5740000              0.4534894        
  6      0.9572000              0.2747866        
  7      0.2099000              0.0191205        
P   7
  1    258.8000000             -0.0007811        
  2     60.8900000             -0.0055179        
  3     19.1400000             -0.0246142        
  4      6.8810000             -0.0581875        
  5      2.5740000             -0.0982407        
  6      0.9572000             -0.0258070        
  7      0.2099000              0.4633873        
P   1
  1      0.0598600              1.0000000        
P   1
  1      0.0153000              1.0000000        
D   1
  1      0.1890000              1.0000000        
D   1
  1      0.0535000              1.0000000        


name: aug-cc-pVDZ-DK
description: V5ZPD All-electron Douglas-Kroll Valence Quintuple Zeta + Polarization
elt: Si
data:
SILICON
S   11
  1  78860.0000000              0.0006815        
  2  11820.0000000              0.0028736        
  3   2692.0000000              0.0120698        
  4    763.4000000              0.0453586        
  5    249.6000000              0.1395458        
  6     90.2800000              0.3173537        
  7     35.2900000              0.4168447        
  8     14.5100000              0.2084412        
  9      4.0530000              0.0143428        
 10      1.4820000             -0.0020126        
 11      0.2517000              0.0006174        
S   11
  1  78860.0000000             -0.0001827        
  2  11820.0000000             -0.0007666        
  3   2692.0000000             -0.0032882        
  4    763.4000000             -0.0123094        
  5    249.6000000             -0.0411277        
  6     90.2800000             -0.1013628        
  7     35.2900000             -0.1967629        
  8     14.5100000             -0.0990262        
  9      4.0530000              0.5309218        
 10      1.4820000              0.5887603        
 11      0.2517000              0.0325794        
S   11
  1  78860.0000000              0.0000468        
  2  11820.0000000              0.0001964        
  3   2692.0000000              0.0008420        
  4    763.4000000              0.0031628        
  5    249.6000000              0.0105819        
  6     90.2800000              0.0264728        
  7     35.2900000              0.0524161        
  8     14.5100000              0.0282323        
  9      4.0530000             -0.1800982        
 10      1.4820000             -0.3441170        
 11      0.2517000              0.6275986        
S   1
  1      0.0924300              1.0000000        
S   1
  1      0.0332000              1.0000000        
P   7
  1    315.9000000              0.0041444        
  2     74.4200000              0.0302971        
  3     23.4800000              0.1278303        
  4      8.4880000              0.3211623        
  5      3.2170000              0.4550327        
  6      1.2290000              0.2681699        
  7      0.2964000              0.0188480        
P   7
  1    315.9000000             -0.0009048        
  2     74.4200000             -0.0063916        
  3     23.4800000             -0.0289531        
  4      8.4880000             -0.0694552        
  5      3.2170000             -0.1193365        
  6      1.2290000             -0.0196342        
  7      0.2964000              0.5098641        
P   1
  1      0.0876800              1.0000000        
P   1
  1      0.0250000              1.0000000        
D   1
  1      0.2750000              1.0000000        
D   1
  1      0.0823000              1.0000000        


name: aug-cc-pVDZ-DK
description: V5ZPD All-electron Douglas-Kroll Valence Quintuple Zeta + Polarization
elt: P
data:
PHOSPHOROUS
S   11
  1  94840.0000000              0.0006956        
  2  14220.0000000              0.0028421        
  3   3236.0000000              0.0116561        
  4    917.1000000              0.0433935        
  5    299.5000000              0.1341765        
  6    108.1000000              0.3095842        
  7     42.1800000              0.4187323        
  8     17.2800000              0.2207409        
  9      4.8580000              0.0162017        
 10      1.8180000             -0.0025086        
 11      0.3372000              0.0007383        
S   11
  1  94840.0000000             -0.0001903        
  2  14220.0000000             -0.0007743        
  3   3236.0000000             -0.0032408        
  4    917.1000000             -0.0120211        
  5    299.5000000             -0.0402672        
  6    108.1000000             -0.1005414        
  7     42.1800000             -0.1983197        
  8     17.2800000             -0.1109545        
  9      4.8580000              0.5231147        
 10      1.8180000              0.5965584        
 11      0.3372000              0.0360259        
S   11
  1  94840.0000000              0.0000523        
  2  14220.0000000              0.0002129        
  3   3236.0000000              0.0008890        
  4    917.1000000              0.0033187        
  5    299.5000000              0.0110884        
  6    108.1000000              0.0282751        
  7     42.1800000              0.0564463        
  8     17.2800000              0.0347289        
  9      4.8580000             -0.1961133        
 10      1.8180000             -0.3685818        
 11      0.3372000              0.6296116        
S   1
  1      0.1232000              1.0000000        
S   1
  1      0.0417000              1.0000000        
P   7
  1    370.5000000              0.0042075        
  2     87.3300000              0.0307497        
  3     27.5900000              0.1303114        
  4     10.0000000              0.3278826        
  5      3.8250000              0.4565077        
  6      1.4940000              0.2525705        
  7      0.3921000              0.0168823        
P   7
  1    370.5000000             -0.0010213        
  2     87.3300000             -0.0072319        
  3     27.5900000             -0.0328950        
  4     10.0000000             -0.0796019        
  5      3.8250000             -0.1348259        
  6      1.4940000             -0.0086235        
  7      0.3921000              0.5375353        
P   1
  1      0.1186000              1.0000000        
P   1
  1      0.0343000              1.0000000        
D   1
  1      0.3730000              1.0000000        
D   1
  1      0.1130000              1.0000000        


name: aug-cc-pVDZ-DK
description: V5ZPD All-electron Douglas-Kroll Valence Quintuple Zeta + Polarization
elt: S
data:
SULFUR
S   11
  1 110800.0000000              0.0007215        
  2  16610.0000000              0.0028720        
  3   3781.0000000              0.0115194        
  4   1071.0000000              0.0424617        
  5    349.8000000              0.1311104        
  6    126.3000000              0.3046040        
  7     49.2600000              0.4193121        
  8     20.1600000              0.2282718        
  9      5.7200000              0.0176436        
 10      2.1820000             -0.0029299        
 11      0.4327000              0.0008367        
S   11
  1 110800.0000000             -0.0002010        
  2  16610.0000000             -0.0007969        
  3   3781.0000000             -0.0032599        
  4   1071.0000000             -0.0119806        
  5    349.8000000             -0.0400080        
  6    126.3000000             -0.1005679        
  7     49.2600000             -0.2001709        
  8     20.1600000             -0.1188477        
  9      5.7200000              0.5185418        
 10      2.1820000              0.6009686        
 11      0.4327000              0.0386850        
S   11
  1 110800.0000000              0.0000583        
  2  16610.0000000              0.0002317        
  3   3781.0000000              0.0009442        
  4   1071.0000000              0.0035003        
  5    349.8000000              0.0116247        
  6    126.3000000              0.0299867        
  7     49.2600000              0.0600636        
  8     20.1600000              0.0399813        
  9      5.7200000             -0.2109019        
 10      2.1820000             -0.3885008        
 11      0.4327000              0.6389962        
S   1
  1      0.1570000              1.0000000        
S   1
  1      0.0507000              1.0000000        
P   7
  1    399.7000000              0.0047937        
  2     94.1900000              0.0347928        
  3     29.7500000              0.1451669        
  4     10.7700000              0.3542203        
  5      4.1190000              0.4584235        
  6      1.6250000              0.2058117        
  7      0.4726000              0.0102234        
P   7
  1    399.7000000             -0.0012442        
  2     94.1900000             -0.0088187        
  3     29.7500000             -0.0393306        
  4     10.7700000             -0.0934934        
  5      4.1190000             -0.1477061        
  6      1.6250000              0.0308319        
  7      0.4726000              0.5613096        
P   1
  1      0.1407000              1.0000000        
P   1
  1      0.0399000              1.0000000        
D   1
  1      0.4790000              1.0000000        
D   1
  1      0.1520000              1.0000000        


name: aug-cc-pVDZ-DK
description: V5ZPD All-electron Douglas-Kroll Valence Quintuple Zeta + Polarization
elt: Cl
data:
CHLORINE
S   11
  1 127900.0000000              0.0007497        
  2  19170.0000000              0.0029170        
  3   4363.0000000              0.0114534        
  4   1236.0000000              0.0417491        
  5    403.6000000              0.1287741        
  6    145.7000000              0.3006785        
  7     56.8100000              0.4195476        
  8     23.2300000              0.2342971        
  9      6.6440000              0.0188435        
 10      2.5750000             -0.0032902        
 11      0.5371000              0.0009137        
S   11
  1 127900.0000000             -0.0002120        
  2  19170.0000000             -0.0008223        
  3   4363.0000000             -0.0032917        
  4   1236.0000000             -0.0119686        
  5    403.6000000             -0.0398788        
  6    145.7000000             -0.1007232        
  7     56.8100000             -0.2019238        
  8     23.2300000             -0.1251436        
  9      6.6440000              0.5156793        
 10      2.5750000              0.6036405        
 11      0.5371000              0.0409998        
S   11
  1 127900.0000000              0.0000641        
  2  19170.0000000              0.0002493        
  3   4363.0000000              0.0009932        
  4   1236.0000000              0.0036490        
  5    403.6000000              0.0120657        
  6    145.7000000              0.0313839        
  7     56.8100000              0.0630662        
  8     23.2300000              0.0444061        
  9      6.6440000             -0.2234945        
 10      2.5750000             -0.4034348        
 11      0.5371000              0.6454547        
S   1
  1      0.1938000              1.0000000        
S   1
  1      0.0608000              1.0000000        
P   7
  1    417.6000000              0.0056562        
  2     98.3300000              0.0406072        
  3     31.0400000              0.1657433        
  4     11.1900000              0.3875622        
  5      4.2490000              0.4561525        
  6      1.6240000              0.1510753        
  7      0.5322000              0.0018524        
P   7
  1    417.6000000             -0.0015435        
  2     98.3300000             -0.0109957        
  3     31.0400000             -0.0473146        
  4     11.1900000             -0.1110564        
  5      4.2490000             -0.1527934        
  6      1.6240000              0.0902488        
  7      0.5322000              0.5790746        
P   1
  1      0.1620000              1.0000000        
P   1
  1      0.0466000              1.0000000        
D   1
  1      0.6000000              1.0000000        
D   1
  1      0.1960000              1.0000000        


name: aug-cc-pVDZ-DK
description: V5ZPD All-electron Douglas-Kroll Valence Quintuple Zeta + Polarization
elt: Ar
data:
ARGON
S   11
  1 145700.0000000              0.0007819        
  2  21840.0000000              0.0029793        
  3   4972.0000000              0.0114728        
  4   1408.0000000              0.0413528        
  5    459.7000000              0.1272786        
  6    165.9000000              0.2980274        
  7     64.6900000              0.4194869        
  8     26.4400000              0.2383968        
  9      7.6280000              0.0196834        
 10      2.9960000             -0.0035396        
 11      0.6504000              0.0009560        
S   11
  1 145700.0000000             -0.0002242        
  2  21840.0000000             -0.0008517        
  3   4972.0000000             -0.0033425        
  4   1408.0000000             -0.0120238        
  5    459.7000000             -0.0399435        
  6    165.9000000             -0.1011846        
  7     64.6900000             -0.2037182        
  8     26.4400000             -0.1297272        
  9      7.6280000              0.5143673        
 10      2.9960000              0.6048173        
 11      0.6504000              0.0429665        
S   11
  1 145700.0000000              0.0000700        
  2  21840.0000000              0.0002668        
  3   4972.0000000              0.0010416        
  4   1408.0000000              0.0037904        
  5    459.7000000              0.0124761        
  6    165.9000000              0.0326374        
  7     64.6900000              0.0656755        
  8     26.4400000              0.0480165        
  9      7.6280000             -0.2347575        
 10      2.9960000             -0.4146406        
 11      0.6504000              0.6501973        
S   1
  1      0.2337000              1.0000000        
S   1
  1      0.0709000              1.0000000        
P   7
  1    453.7000000              0.0061759        
  2    106.8000000              0.0439690        
  3     33.7300000              0.1778638        
  4     12.1300000              0.4070852        
  5      4.5940000              0.4513756        
  6      1.6780000              0.1222191        
  7      0.5909000             -0.0043985        
P   7
  1    453.7000000             -0.0017393        
  2    106.8000000             -0.0124412        
  3     33.7300000             -0.0524542        
  4     12.1300000             -0.1237693        
  5      4.5940000             -0.1509115        
  6      1.6780000              0.1433727        
  7      0.5909000              0.5839918        
P   1
  1      0.1852000              1.0000000        
P   1
  1      0.0533000              1.0000000        
D   1
  1      0.7380000              1.0000000        
D   1
  1      0.2400000              1.0000000        


name: aug-cc-pVDZ-DK
description: V5ZPD All-electron Douglas-Kroll Valence Quintuple Zeta + Polarization
elt: Sc
data:
SCANDIUM
S   19
  1      2.715278E+06           1.060000E-04     
  2      4.065984E+05           3.170000E-04     
  3      9.253004E+04           9.050000E-04     
  4      2.620792E+04           2.464000E-03     
  5      8.549429E+03           6.780000E-03     
  6      3.085975E+03           1.867900E-02     
  7      1.203172E+03           4.941800E-02     
  8      4.984869E+02           1.172100E-01     
  9      2.167360E+02           2.280410E-01     
 10      9.787476E+01           3.098720E-01     
 11      4.520433E+01           2.175500E-01     
 12      2.021187E+01           7.248600E-02     
 13      9.574751E+00           1.159500E-01     
 14      4.540346E+00           1.166380E-01     
 15      1.995687E+00           1.982300E-02     
 16      9.422150E-01          -4.880000E-04     
 17      4.178450E-01           1.830000E-04     
 18      9.576100E-02          -7.000000E-05     
 19      5.135100E-02           6.300000E-05     
S   19
  1      2.715278E+06          -6.100000E-05     
  2      4.065984E+05          -1.820000E-04     
  3      9.253004E+04          -5.200000E-04     
  4      2.620792E+04          -1.417000E-03     
  5      8.549429E+03          -3.912000E-03     
  6      3.085975E+03          -1.085300E-02     
  7      1.203172E+03          -2.915500E-02     
  8      4.984869E+02          -7.160000E-02     
  9      2.167360E+02          -1.504450E-01     
 10      9.787476E+01          -2.435420E-01     
 11      4.520433E+01          -2.334530E-01     
 12      2.021187E+01           4.499700E-02     
 13      9.574751E+00           4.960340E-01     
 14      4.540346E+00           4.848560E-01     
 15      1.995687E+00           8.756700E-02     
 16      9.422150E-01          -5.283000E-03     
 17      4.178450E-01           6.420000E-04     
 18      9.576100E-02          -6.970000E-04     
 19      5.135100E-02           5.790000E-04     
S   19
  1      2.715278E+06           1.200000E-05     
  2      4.065984E+05           3.600000E-05     
  3      9.253004E+04           1.020000E-04     
  4      2.620792E+04           2.800000E-04     
  5      8.549429E+03           7.740000E-04     
  6      3.085975E+03           2.163000E-03     
  7      1.203172E+03           5.883000E-03     
  8      4.984869E+02           1.488700E-02     
  9      2.167360E+02           3.313200E-02     
 10      9.787476E+01           6.028500E-02     
 11      4.520433E+01           6.745900E-02     
 12      2.021187E+01          -2.501500E-02     
 13      9.574751E+00          -2.708040E-01     
 14      4.540346E+00          -4.320030E-01     
 15      1.995687E+00           7.649300E-02     
 16      9.422150E-01           7.030970E-01     
 17      4.178450E-01           4.425890E-01     
 18      9.576100E-02           2.813800E-02     
 19      5.135100E-02          -1.221900E-02     
S   19
  1      2.715278E+06          -3.000000E-06     
  2      4.065984E+05          -9.000000E-06     
  3      9.253004E+04          -2.500000E-05     
  4      2.620792E+04          -6.800000E-05     
  5      8.549429E+03          -1.870000E-04     
  6      3.085975E+03          -5.230000E-04     
  7      1.203172E+03          -1.424000E-03     
  8      4.984869E+02          -3.597000E-03     
  9      2.167360E+02          -8.033000E-03     
 10      9.787476E+01          -1.459800E-02     
 11      4.520433E+01          -1.651400E-02     
 12      2.021187E+01           6.289000E-03     
 13      9.574751E+00           6.826300E-02     
 14      4.540346E+00           1.165590E-01     
 15      1.995687E+00          -2.994900E-02     
 16      9.422150E-01          -2.308390E-01     
 17      4.178450E-01          -3.023230E-01     
 18      9.576100E-02           2.699030E-01     
 19      5.135100E-02           5.919260E-01     
S   19
  1      2.715278E+06          -5.000000E-06     
  2      4.065984E+05          -1.500000E-05     
  3      9.253004E+04          -4.300000E-05     
  4      2.620792E+04          -1.190000E-04     
  5      8.549429E+03          -3.170000E-04     
  6      3.085975E+03          -9.330000E-04     
  7      1.203172E+03          -2.369000E-03     
  8      4.984869E+02          -6.551000E-03     
  9      2.167360E+02          -1.299800E-02     
 10      9.787476E+01          -2.788900E-02     
 11      4.520433E+01          -2.265200E-02     
 12      2.021187E+01          -4.673000E-03     
 13      9.574751E+00           1.586420E-01     
 14      4.540346E+00           1.412640E-01     
 15      1.995687E+00           9.343500E-02     
 16      9.422150E-01          -8.973280E-01     
 17      4.178450E-01           5.970600E-02     
 18      9.576100E-02           2.309726E+00     
 19      5.135100E-02          -1.286221E+00     
S   1
  1      2.387800E-02           1.0000000        
S   1
  1      1.110000E-02           1.0000000        
P   15
  1      1.059219E+04           1.010000E-04     
  2      2.507533E+03           5.310000E-04     
  3      8.144571E+02           2.612000E-03     
  4      3.115195E+02           1.062400E-02     
  5      1.319617E+02           3.597500E-02     
  6      5.998718E+01           9.924200E-02     
  7      2.866250E+01           2.117340E-01     
  8      1.410851E+01           3.300720E-01     
  9      7.103706E+00           3.297560E-01     
 10      3.609200E+00           1.568380E-01     
 11      1.776070E+00           2.180500E-02     
 12      8.547600E-01          -1.797000E-03     
 13      4.022390E-01          -1.435000E-03     
 14      1.546800E-01          -3.000000E-04     
 15      6.488800E-02           3.700000E-05     
P   15
  1      1.059219E+04          -3.300000E-05     
  2      2.507533E+03          -1.740000E-04     
  3      8.144571E+02          -8.600000E-04     
  4      3.115195E+02          -3.515000E-03     
  5      1.319617E+02          -1.205400E-02     
  6      5.998718E+01          -3.406900E-02     
  7      2.866250E+01          -7.521300E-02     
  8      1.410851E+01          -1.224250E-01     
  9      7.103706E+00          -1.293380E-01     
 10      3.609200E+00           1.627400E-02     
 11      1.776070E+00           3.101820E-01     
 12      8.547600E-01           4.626890E-01     
 13      4.022390E-01           3.035190E-01     
 14      1.546800E-01           5.051500E-02     
 15      6.488800E-02          -4.393000E-03     
P   15
  1      1.059219E+04          -8.000000E-06     
  2      2.507533E+03          -4.200000E-05     
  3      8.144571E+02          -2.100000E-04     
  4      3.115195E+02          -8.550000E-04     
  5      1.319617E+02          -2.952000E-03     
  6      5.998718E+01          -8.312000E-03     
  7      2.866250E+01          -1.853100E-02     
  8      1.410851E+01          -3.003300E-02     
  9      7.103706E+00          -3.264100E-02     
 10      3.609200E+00           8.348000E-03     
 11      1.776070E+00           8.799200E-02     
 12      8.547600E-01           1.519130E-01     
 13      4.022390E-01           9.640600E-02     
 14      1.546800E-01          -2.563870E-01     
 15      6.488800E-02          -5.874490E-01     
P   15
  1      1.059219E+04           1.000000E-05     
  2      2.507533E+03           5.200000E-05     
  3      8.144571E+02           2.530000E-04     
  4      3.115195E+02           1.051000E-03     
  5      1.319617E+02           3.555000E-03     
  6      5.998718E+01           1.021800E-02     
  7      2.866250E+01           2.220400E-02     
  8      1.410851E+01           3.728600E-02     
  9      7.103706E+00           3.782400E-02     
 10      3.609200E+00          -4.972000E-03     
 11      1.776070E+00          -1.112850E-01     
 12      8.547600E-01          -1.627100E-01     
 13      4.022390E-01          -1.826910E-01     
 14      1.546800E-01           3.998710E-01     
 15      6.488800E-02           6.854100E-01     
P   1
  1      2.630100E-02           1.0000000        
P   1
  1      1.066000E-02           1.0000000        
D   7
  1      5.065420E+01           4.252000E-03     
  2      1.473250E+01           2.746500E-02     
  3      5.180460E+00           9.922700E-02     
  4      2.019590E+00           2.299670E-01     
  5      7.992190E-01           3.442870E-01     
  6      3.053160E-01           3.736260E-01     
  7      1.104440E-01           2.680210E-01     
D   7
  1      5.065420E+01          -4.396000E-03     
  2      1.473250E+01          -2.826300E-02     
  3      5.180460E+00          -1.047920E-01     
  4      2.019590E+00          -2.343530E-01     
  5      7.992190E-01          -3.255090E-01     
  6      3.053160E-01          -6.999500E-02     
  7      1.104440E-01           5.949220E-01     
D   1
  1      3.706500E-02           1.0000000        
D   1
  1      1.244000E-02           1.0000000        
F   2
  1      7.126000E-01           3.617450E-01     
  2      1.636000E-01           8.218680E-01     
F   1
  1      4.063000E-02           1.0000000        


name: aug-cc-pVDZ-DK
description: V5ZPD All-electron Douglas-Kroll Valence Quintuple Zeta + Polarization
elt: Ti
data:
TITANIUM
S   19
  1      3.014643E+06           1.120000E-04     
  2      4.514329E+05           3.320000E-04     
  3      1.027338E+05           9.400000E-04     
  4      2.909817E+04           2.532000E-03     
  5      9.492330E+03           6.879000E-03     
  6      3.426346E+03           1.874900E-02     
  7      1.335896E+03           4.929400E-02     
  8      5.535026E+02           1.166940E-01     
  9      2.406925E+02           2.273250E-01     
 10      1.087293E+02           3.105540E-01     
 11      5.026457E+01           2.205840E-01     
 12      2.258004E+01           7.324700E-02     
 13      1.071432E+01           1.131540E-01     
 14      5.093546E+00           1.136590E-01     
 15      2.244183E+00           1.931600E-02     
 16      1.059570E+00          -4.650000E-04     
 17      4.688490E-01           1.590000E-04     
 18      1.061430E-01          -5.900000E-05     
 19      5.526200E-02           6.200000E-05     
S   19
  1      3.014643E+06          -6.300000E-05     
  2      4.514329E+05          -1.890000E-04     
  3      1.027338E+05          -5.350000E-04     
  4      2.909817E+04          -1.443000E-03     
  5      9.492330E+03          -3.933000E-03     
  6      3.426346E+03          -1.079600E-02     
  7      1.335896E+03          -2.882900E-02     
  8      5.535026E+02          -7.067400E-02     
  9      2.406925E+02          -1.487780E-01     
 10      1.087293E+02          -2.420600E-01     
 11      5.026457E+01          -2.347210E-01     
 12      2.258004E+01           4.220600E-02     
 13      1.071432E+01           4.983350E-01     
 14      5.093546E+00           4.868870E-01     
 15      2.244183E+00           8.790400E-02     
 16      1.059570E+00          -5.264000E-03     
 17      4.688490E-01           5.520000E-04     
 18      1.061430E-01          -6.280000E-04     
 19      5.526200E-02           5.530000E-04     
S   19
  1      3.014643E+06           1.300000E-05     
  2      4.514329E+05           3.800000E-05     
  3      1.027338E+05           1.090000E-04     
  4      2.909817E+04           2.940000E-04     
  5      9.492330E+03           8.030000E-04     
  6      3.426346E+03           2.220000E-03     
  7      1.335896E+03           5.999000E-03     
  8      5.535026E+02           1.514900E-02     
  9      2.406925E+02           3.373300E-02     
 10      1.087293E+02           6.156300E-02     
 11      5.026457E+01           6.946200E-02     
 12      2.258004E+01          -2.415500E-02     
 13      1.071432E+01          -2.789840E-01     
 14      5.093546E+00          -4.386710E-01     
 15      2.244183E+00           9.090600E-02     
 16      1.059570E+00           7.091310E-01     
 17      4.688490E-01           4.311640E-01     
 18      1.061430E-01           2.589800E-02     
 19      5.526200E-02          -1.100700E-02     
S   19
  1      3.014643E+06          -3.000000E-06     
  2      4.514329E+05          -9.000000E-06     
  3      1.027338E+05          -2.600000E-05     
  4      2.909817E+04          -7.000000E-05     
  5      9.492330E+03          -1.910000E-04     
  6      3.426346E+03          -5.260000E-04     
  7      1.335896E+03          -1.424000E-03     
  8      5.535026E+02          -3.593000E-03     
  9      2.406925E+02          -8.022000E-03     
 10      1.087293E+02          -1.464600E-02     
 11      5.026457E+01          -1.666100E-02     
 12      2.258004E+01           5.889000E-03     
 13      1.071432E+01           6.934700E-02     
 14      5.093546E+00           1.159210E-01     
 15      2.244183E+00          -3.271700E-02     
 16      1.059570E+00          -2.334140E-01     
 17      4.688490E-01          -2.869410E-01     
 18      1.061430E-01           2.839540E-01     
 19      5.526200E-02           5.841130E-01     
S   19
  1      3.014643E+06          -6.000000E-06     
  2      4.514329E+05          -1.700000E-05     
  3      1.027338E+05          -4.800000E-05     
  4      2.909817E+04          -1.310000E-04     
  5      9.492330E+03          -3.460000E-04     
  6      3.426346E+03          -1.009000E-03     
  7      1.335896E+03          -2.532000E-03     
  8      5.535026E+02          -7.042000E-03     
  9      2.406925E+02          -1.382900E-02     
 10      1.087293E+02          -3.022100E-02     
 11      5.026457E+01          -2.398100E-02     
 12      2.258004E+01          -7.185000E-03     
 13      1.071432E+01           1.758840E-01     
 14      5.093546E+00           1.462460E-01     
 15      2.244183E+00           9.718400E-02     
 16      1.059570E+00          -1.001736E+00     
 17      4.688490E-01           1.999570E-01     
 18      1.061430E-01           2.218104E+00     
 19      5.526200E-02          -1.342323E+00     
S   1
  1      2.546500E-02           1.0000000        
S   1
  1      1.173000E-02           1.0000000        
P   15
  1      1.191203E+04           1.040000E-04     
  2      2.819947E+03           5.330000E-04     
  3      9.159479E+02           2.588000E-03     
  4      3.503842E+02           1.047000E-02     
  5      1.484825E+02           3.547100E-02     
  6      6.753944E+01           9.816400E-02     
  7      3.230332E+01           2.106310E-01     
  8      1.592786E+01           3.301970E-01     
  9      8.038035E+00           3.305000E-01     
 10      4.093916E+00           1.571860E-01     
 11      2.022390E+00           2.196700E-02     
 12      9.761020E-01          -1.761000E-03     
 13      4.595950E-01          -1.430000E-03     
 14      1.771950E-01          -2.900000E-04     
 15      7.344200E-02           3.400000E-05     
P   15
  1      1.191203E+04          -3.500000E-05     
  2      2.819947E+03          -1.790000E-04     
  3      9.159479E+02          -8.700000E-04     
  4      3.503842E+02          -3.541000E-03     
  5      1.484825E+02          -1.215000E-02     
  6      6.753944E+01          -3.447100E-02     
  7      3.230332E+01          -7.659400E-02     
  8      1.592786E+01          -1.256220E-01     
  9      8.038035E+00          -1.320480E-01     
 10      4.093916E+00           1.939600E-02     
 11      2.022390E+00           3.164550E-01     
 12      9.761020E-01           4.614890E-01     
 13      4.595950E-01           2.980100E-01     
 14      1.771950E-01           4.951700E-02     
 15      7.344200E-02          -4.108000E-03     
P   15
  1      1.191203E+04           8.000000E-06     
  2      2.819947E+03           4.300000E-05     
  3      9.159479E+02           2.090000E-04     
  4      3.503842E+02           8.480000E-04     
  5      1.484825E+02           2.925000E-03     
  6      6.753944E+01           8.276000E-03     
  7      3.230332E+01           1.855000E-02     
  8      1.592786E+01           3.034000E-02     
  9      8.038035E+00           3.271500E-02     
 10      4.093916E+00          -8.720000E-03     
 11      2.022390E+00          -8.863600E-02     
 12      9.761020E-01          -1.491650E-01     
 13      4.595950E-01          -9.323200E-02     
 14      1.771950E-01           2.507080E-01     
 15      7.344200E-02           5.861800E-01     
P   15
  1      1.191203E+04           1.000000E-05     
  2      2.819947E+03           5.400000E-05     
  3      9.159479E+02           2.610000E-04     
  4      3.503842E+02           1.071000E-03     
  5      1.484825E+02           3.639000E-03     
  6      6.753944E+01           1.046100E-02     
  7      3.230332E+01           2.298500E-02     
  8      1.592786E+01           3.867200E-02     
  9      8.038035E+00           3.949900E-02     
 10      4.093916E+00          -6.899000E-03     
 11      2.022390E+00          -1.146250E-01     
 12      9.761020E-01          -1.708870E-01     
 13      4.595950E-01          -1.652610E-01     
 14      1.771950E-01           4.058580E-01     
 15      7.344200E-02           6.742340E-01     
P   1
  1      2.933400E-02           1.0000000        
P   1
  1      1.172000E-02           1.0000000        
D   7
  1      6.434020E+01           3.883000E-03     
  2      1.884180E+01           2.620400E-02     
  3      6.719830E+00           9.688700E-02     
  4      2.656130E+00           2.316310E-01     
  5      1.073680E+00           3.519720E-01     
  6      4.205570E-01           3.725630E-01     
  7      1.548170E-01           2.505630E-01     
D   7
  1      6.434020E+01          -3.979000E-03     
  2      1.884180E+01          -2.676400E-02     
  3      6.719830E+00          -1.018940E-01     
  4      2.656130E+00          -2.371110E-01     
  5      1.073680E+00          -3.132860E-01     
  6      4.205570E-01          -4.656300E-02     
  7      1.548170E-01           5.840720E-01     
D   1
  1      5.149000E-02           1.0000000        
D   1
  1      1.712000E-02           1.0000000        
F   2
  1      1.227400E+00           3.581580E-01     
  2      2.788000E-01           8.257940E-01     
F   1
  1      8.069000E-02           1.0000000        


name: aug-cc-pVDZ-DK
description: V5ZPD All-electron Douglas-Kroll Valence Quintuple Zeta + Polarization
elt: V
data:
VANADIUM
S   19
  1      3.321857E+06           1.180000E-04     
  2      4.974356E+05           3.490000E-04     
  3      1.132027E+05           9.820000E-04     
  4      3.206333E+04           2.618000E-03     
  5      1.045962E+04           7.032000E-03     
  6      3.775506E+03           1.896600E-02     
  7      1.472040E+03           4.954400E-02     
  8      6.099331E+02           1.170070E-01     
  9      2.652634E+02           2.280590E-01     
 10      1.198607E+02           3.128050E-01     
 11      5.544891E+01           2.243300E-01     
 12      2.498372E+01           7.358900E-02     
 13      1.188056E+01           1.075150E-01     
 14      5.660311E+00           1.073700E-01     
 15      2.495703E+00           1.804800E-02     
 16      1.177866E+00          -4.330000E-04     
 17      5.200440E-01           1.240000E-04     
 18      1.159650E-01          -4.600000E-05     
 19      5.893800E-02           5.900000E-05     
S   19
  1      3.321857E+06          -6.600000E-05     
  2      4.974356E+05          -1.940000E-04     
  3      1.132027E+05          -5.450000E-04     
  4      3.206333E+04          -1.457000E-03     
  5      1.045962E+04          -3.927000E-03     
  6      3.775506E+03          -1.066800E-02     
  7      1.472040E+03          -2.831600E-02     
  8      6.099331E+02          -6.928800E-02     
  9      2.652634E+02          -1.461110E-01     
 10      1.198607E+02          -2.389450E-01     
 11      5.544891E+01          -2.339170E-01     
 12      2.498372E+01           4.210700E-02     
 13      1.188056E+01           5.024910E-01     
 14      5.660311E+00           4.878150E-01     
 15      2.495703E+00           8.731200E-02     
 16      1.177866E+00          -5.353000E-03     
 17      5.200440E-01           4.350000E-04     
 18      1.159650E-01          -5.700000E-04     
 19      5.893800E-02           5.410000E-04     
S   19
  1      3.321857E+06           1.400000E-05     
  2      4.974356E+05           4.100000E-05     
  3      1.132027E+05           1.150000E-04     
  4      3.206333E+04           3.080000E-04     
  5      1.045962E+04           8.330000E-04     
  6      3.775506E+03           2.278000E-03     
  7      1.472040E+03           6.117000E-03     
  8      6.099331E+02           1.540800E-02     
  9      2.652634E+02           3.430100E-02     
 10      1.198607E+02           6.272200E-02     
 11      5.544891E+01           7.104700E-02     
 12      2.498372E+01          -2.411900E-02     
 13      1.188056E+01          -2.872100E-01     
 14      5.660311E+00          -4.426090E-01     
 15      2.495703E+00           1.068750E-01     
 16      1.177866E+00           7.133290E-01     
 17      5.200440E-01           4.194430E-01     
 18      1.159650E-01           2.383100E-02     
 19      5.893800E-02          -9.883000E-03     
S   19
  1      3.321857E+06          -3.000000E-06     
  2      4.974356E+05          -1.000000E-05     
  3      1.132027E+05          -2.700000E-05     
  4      3.206333E+04          -7.200000E-05     
  5      1.045962E+04          -1.940000E-04     
  6      3.775506E+03          -5.300000E-04     
  7      1.472040E+03          -1.425000E-03     
  8      6.099331E+02          -3.589000E-03     
  9      2.652634E+02          -8.003000E-03     
 10      1.198607E+02          -1.466100E-02     
 11      5.544891E+01          -1.670400E-02     
 12      2.498372E+01           5.706000E-03     
 13      1.188056E+01           7.035600E-02     
 14      5.660311E+00           1.145620E-01     
 15      2.495703E+00          -3.595000E-02     
 16      1.177866E+00          -2.344200E-01     
 17      5.200440E-01          -2.726820E-01     
 18      1.159650E-01           2.965280E-01     
 19      5.893800E-02           5.772100E-01     
S   19
  1      3.321857E+06          -6.000000E-06     
  2      4.974356E+05          -1.800000E-05     
  3      1.132027E+05          -5.100000E-05     
  4      3.206333E+04          -1.410000E-04     
  5      1.045962E+04          -3.660000E-04     
  6      3.775506E+03          -1.061000E-03     
  7      1.472040E+03          -2.635000E-03     
  8      6.099331E+02          -7.343000E-03     
  9      2.652634E+02          -1.432700E-02     
 10      1.198607E+02          -3.164100E-02     
 11      5.544891E+01          -2.475000E-02     
 12      2.498372E+01          -8.638000E-03     
 13      1.188056E+01           1.872210E-01     
 14      5.660311E+00           1.479670E-01     
 15      2.495703E+00           9.330700E-02     
 16      1.177866E+00          -1.056754E+00     
 17      5.200440E-01           2.916520E-01     
 18      1.159650E-01           2.133999E+00     
 19      5.893800E-02          -1.354378E+00     
S   1
  1      2.694600E-02           1.0000000        
S   1
  1      1.232000E-02           1.0000000        
P   15
  1      1.327320E+04           1.080000E-04     
  2      3.142126E+03           5.390000E-04     
  3      1.020588E+03           2.582000E-03     
  4      3.904407E+02           1.039000E-02     
  5      1.655043E+02           3.518900E-02     
  6      7.532006E+01           9.758900E-02     
  7      3.605503E+01           2.102360E-01     
  8      1.780436E+01           3.306940E-01     
  9      9.002929E+00           3.306980E-01     
 10      4.594544E+00           1.567000E-01     
 11      2.276760E+00           2.185700E-02     
 12      1.101178E+00          -1.768000E-03     
 13      5.186380E-01          -1.457000E-03     
 14      2.005740E-01          -2.830000E-04     
 15      8.121700E-02           3.100000E-05     
P   15
  1      1.327320E+04          -3.700000E-05     
  2      3.142126E+03          -1.840000E-04     
  3      1.020588E+03          -8.830000E-04     
  4      3.904407E+02          -3.576000E-03     
  5      1.655043E+02          -1.226400E-02     
  6      7.532006E+01          -3.489100E-02     
  7      3.605503E+01          -7.788900E-02     
  8      1.780436E+01          -1.284150E-01     
  9      9.002929E+00          -1.338960E-01     
 10      4.594544E+00           2.315900E-02     
 11      2.276760E+00           3.220750E-01     
 12      1.101178E+00           4.598860E-01     
 13      5.186380E-01           2.931220E-01     
 14      2.005740E-01           4.844500E-02     
 15      8.121700E-02          -3.703000E-03     
P   15
  1      1.327320E+04           9.000000E-06     
  2      3.142126E+03           4.400000E-05     
  3      1.020588E+03           2.140000E-04     
  4      3.904407E+02           8.620000E-04     
  5      1.655043E+02           2.972000E-03     
  6      7.532006E+01           8.441000E-03     
  7      3.605503E+01           1.899500E-02     
  8      1.780436E+01           3.128900E-02     
  9      9.002929E+00           3.333800E-02     
 10      4.594544E+00          -1.007500E-02     
 11      2.276760E+00          -9.256200E-02     
 12      1.101178E+00          -1.488610E-01     
 13      5.186380E-01          -8.230200E-02     
 14      2.005740E-01           2.504590E-01     
 15      8.121700E-02           5.799250E-01     
P   15
  1      1.327320E+04           1.100000E-05     
  2      3.142126E+03           5.600000E-05     
  3      1.020588E+03           2.660000E-04     
  4      3.904407E+02           1.087000E-03     
  5      1.655043E+02           3.688000E-03     
  6      7.532006E+01           1.064000E-02     
  7      3.605503E+01           2.346800E-02     
  8      1.780436E+01           3.976300E-02     
  9      9.002929E+00           4.018800E-02     
 10      4.594544E+00          -8.099000E-03     
 11      2.276760E+00          -1.183280E-01     
 12      1.101178E+00          -1.730030E-01     
 13      5.186380E-01          -1.539630E-01     
 14      2.005740E-01           4.118200E-01     
 15      8.121700E-02           6.696520E-01     
P   1
  1      3.173300E-02           1.0000000        
P   1
  1      1.240000E-02           1.0000000        
D   7
  1      7.828410E+01           3.587000E-03     
  2      2.301200E+01           2.497400E-02     
  3      8.290160E+00           9.402900E-02     
  4      3.307910E+00           2.290420E-01     
  5      1.355550E+00           3.518030E-01     
  6      5.392580E-01           3.708890E-01     
  7      2.012550E-01           2.485580E-01     
D   7
  1      7.828410E+01          -3.818000E-03     
  2      2.301200E+01          -2.653100E-02     
  3      8.290160E+00          -1.030470E-01     
  4      3.307910E+00          -2.466900E-01     
  5      1.355550E+00          -3.129250E-01     
  6      5.392580E-01          -2.758100E-02     
  7      2.012550E-01           5.660110E-01     
D   1
  1      6.714600E-02           1.0000000        
D   1
  1      2.240000E-02           1.0000000        
F   2
  1      1.748800E+00           3.900680E-01     
  2      4.057000E-01           8.008410E-01     
F   1
  1      1.281300E-01           1.0000000        


name: aug-cc-pVDZ-DK
description: V5ZPD All-electron Douglas-Kroll Valence Quintuple Zeta + Polarization
elt: Cr
data:
CHROMIUM
S   19
  1      6.177194E+06           8.400000E-05     
  2      9.249295E+05           2.410000E-04     
  3      2.104865E+05           6.580000E-04     
  4      5.962005E+04           1.673000E-03     
  5      1.945076E+04           4.248000E-03     
  6      7.022056E+03           1.088900E-02     
  7      2.738763E+03           2.785900E-02     
  8      1.135814E+03           6.788800E-02     
  9      4.950923E+02           1.468020E-01     
 10      2.247487E+02           2.556230E-01     
 11      1.053836E+02           2.984080E-01     
 12      5.019359E+01           1.745600E-01     
 13      2.224957E+01           6.969000E-02     
 14      1.098265E+01           1.141840E-01     
 15      5.383665E+00           8.407000E-02     
 16      2.343685E+00           9.926000E-03     
 17      1.105202E+00          -3.160000E-04     
 18      4.878480E-01           5.900000E-05     
 19      8.959900E-02           1.600000E-05     
S   19
  1      6.177194E+06          -4.600000E-05     
  2      9.249295E+05          -1.340000E-04     
  3      2.104865E+05          -3.640000E-04     
  4      5.962005E+04          -9.270000E-04     
  5      1.945076E+04          -2.361000E-03     
  6      7.022056E+03          -6.076000E-03     
  7      2.738763E+03          -1.572300E-02     
  8      1.135814E+03          -3.907800E-02     
  9      4.950923E+02          -8.871100E-02     
 10      2.247487E+02          -1.701120E-01     
 11      1.053836E+02          -2.472980E-01     
 12      5.019359E+01          -1.863810E-01     
 13      2.224957E+01           1.584390E-01     
 14      1.098265E+01           5.481250E-01     
 15      5.383665E+00           3.885790E-01     
 16      2.343685E+00           4.928100E-02     
 17      1.105202E+00          -4.305000E-03     
 18      4.878480E-01           1.110000E-04     
 19      8.959900E-02          -2.700000E-05     
S   19
  1      6.177194E+06           1.000000E-05     
  2      9.249295E+05           2.900000E-05     
  3      2.104865E+05           7.800000E-05     
  4      5.962005E+04           2.000000E-04     
  5      1.945076E+04           5.110000E-04     
  6      7.022056E+03           1.317000E-03     
  7      2.738763E+03           3.447000E-03     
  8      1.135814E+03           8.668000E-03     
  9      4.950923E+02           2.049500E-02     
 10      2.247487E+02           4.170100E-02     
 11      1.053836E+02           6.930000E-02     
 12      5.019359E+01           5.818900E-02     
 13      2.224957E+01          -7.618100E-02     
 14      1.098265E+01          -3.561380E-01     
 15      5.383665E+00          -3.726510E-01     
 16      2.343685E+00           2.838030E-01     
 17      1.105202E+00           7.149340E-01     
 18      4.878480E-01           2.908760E-01     
 19      8.959900E-02           6.909000E-03     
S   19
  1      6.177194E+06          -2.000000E-06     
  2      9.249295E+05          -7.000000E-06     
  3      2.104865E+05          -1.800000E-05     
  4      5.962005E+04          -4.500000E-05     
  5      1.945076E+04          -1.170000E-04     
  6      7.022056E+03          -2.980000E-04     
  7      2.738763E+03          -7.900000E-04     
  8      1.135814E+03          -1.957000E-03     
  9      4.950923E+02          -4.725000E-03     
 10      2.247487E+02          -9.368000E-03     
 11      1.053836E+02          -1.625000E-02     
 12      5.019359E+01          -1.254900E-02     
 13      2.224957E+01           1.555000E-02     
 14      1.098265E+01           9.169100E-02     
 15      5.383665E+00           8.542600E-02     
 16      2.343685E+00          -6.625000E-02     
 17      1.105202E+00          -2.868520E-01     
 18      4.878480E-01          -1.703030E-01     
 19      8.959900E-02           6.967260E-01     
S   19
  1      6.177194E+06           4.000000E-06     
  2      9.249295E+05           1.300000E-05     
  3      2.104865E+05           3.600000E-05     
  4      5.962005E+04           8.800000E-05     
  5      1.945076E+04           2.390000E-04     
  6      7.022056E+03           5.570000E-04     
  7      2.738763E+03           1.682000E-03     
  8      1.135814E+03           3.490000E-03     
  9      4.950923E+02           1.051200E-02     
 10      2.247487E+02           1.539200E-02     
 11      1.053836E+02           4.027700E-02     
 12      5.019359E+01           7.394000E-03     
 13      2.224957E+01           1.405700E-02     
 14      1.098265E+01          -2.936730E-01     
 15      5.383665E+00           3.010000E-03     
 16      2.343685E+00          -1.758500E-01     
 17      1.105202E+00           1.500646E+00     
 18      4.878480E-01          -1.126940E+00     
 19      8.959900E-02          -1.227088E+00     
S   1
  1      3.342300E-02           1.0000000        
S   1
  1      1.247000E-02           1.0000000        
P   15
  1      1.445420E+04           1.150000E-04     
  2      3.421676E+03           5.600000E-04     
  3      1.111387E+03           2.653000E-03     
  4      4.251918E+02           1.061200E-02     
  5      1.802623E+02           3.586700E-02     
  6      8.206117E+01           9.932400E-02     
  7      3.929726E+01           2.135250E-01     
  8      1.941959E+01           3.339970E-01     
  9      9.828899E+00           3.282920E-01     
 10      5.016810E+00           1.505820E-01     
 11      2.487091E+00           2.000200E-02     
 12      1.198780E+00          -1.563000E-03     
 13      5.586950E-01          -1.291000E-03     
 14      2.093660E-01          -2.120000E-04     
 15      8.472200E-02           2.400000E-05     
P   15
  1      1.445420E+04          -4.000000E-05     
  2      3.421676E+03          -1.940000E-04     
  3      1.111387E+03          -9.220000E-04     
  4      4.251918E+02          -3.711000E-03     
  5      1.802623E+02          -1.270600E-02     
  6      8.206117E+01          -3.612100E-02     
  7      3.929726E+01          -8.054000E-02     
  8      1.941959E+01          -1.323120E-01     
  9      9.828899E+00          -1.340350E-01     
 10      5.016810E+00           3.470700E-02     
 11      2.487091E+00           3.356300E-01     
 12      1.198780E+00           4.612780E-01     
 13      5.586950E-01           2.785730E-01     
 14      2.093660E-01           4.122100E-02     
 15      8.472200E-02          -3.800000E-03     
P   15
  1      1.445420E+04           9.000000E-06     
  2      3.421676E+03           4.600000E-05     
  3      1.111387E+03           2.190000E-04     
  4      4.251918E+02           8.780000E-04     
  5      1.802623E+02           3.030000E-03     
  6      8.206117E+01           8.568000E-03     
  7      3.929726E+01           1.934300E-02     
  8      1.941959E+01           3.156000E-02     
  9      9.828899E+00           3.305600E-02     
 10      5.016810E+00          -1.359000E-02     
 11      2.487091E+00          -9.400900E-02     
 12      1.198780E+00          -1.498470E-01     
 13      5.586950E-01          -6.571600E-02     
 14      2.093660E-01           2.711740E-01     
 15      8.472200E-02           5.750590E-01     
P   15
  1      1.445420E+04           1.200000E-05     
  2      3.421676E+03           5.900000E-05     
  3      1.111387E+03           2.770000E-04     
  4      4.251918E+02           1.121000E-03     
  5      1.802623E+02           3.820000E-03     
  6      8.206117E+01           1.094000E-02     
  7      3.929726E+01           2.430100E-02     
  8      1.941959E+01           4.059400E-02     
  9      9.828899E+00           4.077300E-02     
 10      5.016810E+00          -1.344000E-02     
 11      2.487091E+00          -1.211060E-01     
 12      1.198780E+00          -1.827370E-01     
 13      5.586950E-01          -1.200720E-01     
 14      2.093660E-01           4.449520E-01     
 15      8.472200E-02           6.413430E-01     
P   1
  1      3.327800E-02           1.0000000        
P   1
  1      1.307000E-02           1.0000000        
D   7
  1      8.947450E+01           3.617000E-03     
  2      2.633680E+01           2.553900E-02     
  3      9.534290E+00           9.683400E-02     
  4      3.821180E+00           2.351220E-01     
  5      1.571690E+00           3.574460E-01     
  6      6.264220E-01           3.691600E-01     
  7      2.330550E-01           2.380780E-01     
D   7
  1      8.947450E+01          -4.124000E-03     
  2      2.633680E+01          -2.909800E-02     
  3      9.534290E+00          -1.143160E-01     
  4      3.821180E+00          -2.719580E-01     
  5      1.571690E+00          -3.162730E-01     
  6      6.264220E-01           3.745700E-02     
  7      2.330550E-01           5.894820E-01     
D   1
  1      7.630300E-02           1.0000000        
D   1
  1      2.498000E-02           1.0000000        
F   2
  1      2.221100E+00           4.235450E-01     
  2      5.231000E-01           7.741140E-01     
F   1
  1      1.724900E-01           1.0000000        


name: aug-cc-pVDZ-DK
description: V5ZPD All-electron Douglas-Kroll Valence Quintuple Zeta + Polarization
elt: Mn
data:
MANGANESE
S   19
  1      3.960805E+06           1.350000E-04     
  2      5.931155E+05           3.950000E-04     
  3      1.349768E+05           1.096000E-03     
  4      3.823067E+04           2.871000E-03     
  5      1.247154E+04           7.554000E-03     
  6      4.501743E+03           1.997500E-02     
  7      1.755212E+03           5.150800E-02     
  8      7.273039E+02           1.210030E-01     
  9      3.163678E+02           2.360360E-01     
 10      1.430098E+02           3.264820E-01     
 11      6.621805E+01           2.393020E-01     
 12      2.991896E+01           7.182000E-02     
 13      1.430318E+01           7.595000E-02     
 14      6.839451E+00           7.503000E-02     
 15      3.012374E+00           1.183600E-02     
 16      1.418808E+00          -3.590000E-04     
 17      6.236240E-01          -6.200000E-05     
 18      1.340980E-01          -1.400000E-05     
 19      6.554800E-02           2.600000E-05     
S   19
  1      3.960805E+06          -6.500000E-05     
  2      5.931155E+05          -1.890000E-04     
  3      1.349768E+05          -5.250000E-04     
  4      3.823067E+04          -1.379000E-03     
  5      1.247154E+04          -3.642000E-03     
  6      4.501743E+03          -9.711000E-03     
  7      1.755212E+03          -2.548900E-02     
  8      7.273039E+02          -6.225900E-02     
  9      3.163678E+02          -1.322860E-01     
 10      1.430098E+02          -2.204590E-01     
 11      6.621805E+01          -2.215130E-01     
 12      2.991896E+01           4.933600E-02     
 13      1.430318E+01           5.165030E-01     
 14      6.839451E+00           4.900740E-01     
 15      3.012374E+00           8.458600E-02     
 16      1.418808E+00          -6.857000E-03     
 17      6.236240E-01          -4.660000E-04     
 18      1.340980E-01          -5.260000E-04     
 19      6.554800E-02           4.990000E-04     
S   19
  1      3.960805E+06           1.600000E-05     
  2      5.931155E+05           4.600000E-05     
  3      1.349768E+05           1.280000E-04     
  4      3.823067E+04           3.370000E-04     
  5      1.247154E+04           8.910000E-04     
  6      4.501743E+03           2.391000E-03     
  7      1.755212E+03           6.334000E-03     
  8      7.273039E+02           1.586600E-02     
  9      3.163678E+02           3.523600E-02     
 10      1.430098E+02           6.454500E-02     
 11      6.621805E+01           7.305700E-02     
 12      2.991896E+01          -2.573700E-02     
 13      1.430318E+01          -3.026850E-01     
 14      6.839451E+00          -4.440650E-01     
 15      3.012374E+00           1.409020E-01     
 16      1.418808E+00           7.189900E-01     
 17      6.236240E-01           3.952070E-01     
 18      1.340980E-01           1.985100E-02     
 19      6.554800E-02          -7.783000E-03     
S   19
  1      3.960805E+06          -4.000000E-06     
  2      5.931155E+05          -1.000000E-05     
  3      1.349768E+05          -2.900000E-05     
  4      3.823067E+04          -7.500000E-05     
  5      1.247154E+04          -1.990000E-04     
  6      4.501743E+03          -5.330000E-04     
  7      1.755212E+03          -1.413000E-03     
  8      7.273039E+02          -3.542000E-03     
  9      3.163678E+02          -7.871000E-03     
 10      1.430098E+02          -1.446600E-02     
 11      6.621805E+01          -1.642500E-02     
 12      2.991896E+01           5.762000E-03     
 13      1.430318E+01           7.126600E-02     
 14      6.839451E+00           1.094140E-01     
 15      3.012374E+00          -4.281300E-02     
 16      1.418808E+00          -2.293830E-01     
 17      6.236240E-01          -2.461200E-01     
 18      1.340980E-01           3.096530E-01     
 19      6.554800E-02           5.658570E-01     
S   19
  1      3.960805E+06          -7.000000E-06     
  2      5.931155E+05          -2.100000E-05     
  3      1.349768E+05          -5.700000E-05     
  4      3.823067E+04          -1.530000E-04     
  5      1.247154E+04          -3.900000E-04     
  6      4.501743E+03          -1.107000E-03     
  7      1.755212E+03          -2.716000E-03     
  8      7.273039E+02          -7.526000E-03     
  9      3.163678E+02          -1.464300E-02     
 10      1.430098E+02          -3.243400E-02     
 11      6.621805E+01          -2.523900E-02     
 12      2.991896E+01          -8.668000E-03     
 13      1.430318E+01           1.951750E-01     
 14      6.839451E+00           1.474640E-01     
 15      3.012374E+00           7.037500E-02     
 16      1.418808E+00          -1.066777E+00     
 17      6.236240E-01           3.723110E-01     
 18      1.340980E-01           1.987207E+00     
 19      6.554800E-02          -1.289393E+00     
S   1
  1      2.958400E-02           1.0000000        
S   1
  1      1.335000E-02           1.0000000        
P   15
  1      1.620586E+04           1.180000E-04     
  2      3.836274E+03           5.550000E-04     
  3      1.246048E+03           2.591000E-03     
  4      4.767535E+02           1.029700E-02     
  5      2.021895E+02           3.481200E-02     
  6      9.209487E+01           9.681400E-02     
  7      4.414720E+01           2.099030E-01     
  8      2.185468E+01           3.319070E-01     
  9      1.108596E+01           3.311790E-01     
 10      5.674108E+00           1.557000E-01     
 11      2.823170E+00           2.090600E-02     
 12      1.368621E+00          -2.814000E-03     
 13      6.444310E-01          -2.148000E-03     
 14      2.483460E-01          -3.790000E-04     
 15      9.717500E-02           3.600000E-05     
P   15
  1      1.620586E+04          -4.100000E-05     
  2      3.836274E+03          -1.930000E-04     
  3      1.246048E+03          -9.030000E-04     
  4      4.767535E+02          -3.614000E-03     
  5      2.021895E+02          -1.237300E-02     
  6      9.209487E+01          -3.534100E-02     
  7      4.414720E+01          -7.949900E-02     
  8      2.185468E+01          -1.321930E-01     
  9      1.108596E+01          -1.356890E-01     
 10      5.674108E+00           3.013300E-02     
 11      2.823170E+00           3.310290E-01     
 12      1.368621E+00           4.567780E-01     
 13      6.444310E-01           2.859100E-01     
 14      2.483460E-01           4.658300E-02     
 15      9.717500E-02          -3.384000E-03     
P   15
  1      1.620586E+04          -9.000000E-06     
  2      3.836274E+03          -4.400000E-05     
  3      1.246048E+03          -2.080000E-04     
  4      4.767535E+02          -8.320000E-04     
  5      2.021895E+02          -2.857000E-03     
  6      9.209487E+01          -8.164000E-03     
  7      4.414720E+01          -1.845500E-02     
  8      2.185468E+01          -3.077300E-02     
  9      1.108596E+01          -3.199900E-02     
 10      5.674108E+00           1.075100E-02     
 11      2.823170E+00           9.089400E-02     
 12      1.368621E+00           1.379450E-01     
 13      6.444310E-01           7.611200E-02     
 14      2.483460E-01          -2.313460E-01     
 15      9.717500E-02          -5.751700E-01     
P   15
  1      1.620586E+04           1.300000E-05     
  2      3.836274E+03           6.000000E-05     
  3      1.246048E+03           2.790000E-04     
  4      4.767535E+02           1.127000E-03     
  5      2.021895E+02           3.818000E-03     
  6      9.209487E+01           1.106100E-02     
  7      4.414720E+01           2.458500E-02     
  8      2.185468E+01           4.203300E-02     
  9      1.108596E+01           4.181100E-02     
 10      5.674108E+00          -1.084700E-02     
 11      2.823170E+00          -1.265590E-01     
 12      1.368621E+00          -1.789830E-01     
 13      6.444310E-01          -1.260670E-01     
 14      2.483460E-01           4.203830E-01     
 15      9.717500E-02           6.578380E-01     
P   1
  1      3.656500E-02           1.0000000        
P   1
  1      1.376000E-02           1.0000000        
D   7
  1      1.019040E+02           3.575000E-03     
  2      3.003370E+01           2.557500E-02     
  3      1.092380E+01           9.774700E-02     
  4      4.397400E+00           2.370560E-01     
  5      1.815950E+00           3.579230E-01     
  6      7.257310E-01           3.658070E-01     
  7      2.699610E-01           2.362960E-01     
D   7
  1      1.019040E+02          -3.646000E-03     
  2      3.003370E+01          -2.607900E-02     
  3      1.092380E+01          -1.024550E-01     
  4      4.397400E+00          -2.488950E-01     
  5      1.815950E+00          -3.018870E-01     
  6      7.257310E-01           8.369000E-03     
  7      2.699610E-01           5.397650E-01     
D   1
  1      8.776000E-02           1.0000000        
D   1
  1      2.853000E-02           1.0000000        
F   2
  1      2.703200E+00           4.267760E-01     
  2      6.438000E-01           7.697990E-01     
F   1
  1      2.176400E-01           1.0000000        


name: aug-cc-pVDZ-DK
description: V5ZPD All-electron Douglas-Kroll Valence Quintuple Zeta + Polarization
elt: Fe
data:
IRON
S   19
  1      4.316265E+06           1.400000E-04     
  2      6.463424E+05           4.050000E-04     
  3      1.470897E+05           1.119000E-03     
  4      4.166152E+04           2.907000E-03     
  5      1.359077E+04           7.571000E-03     
  6      4.905750E+03           1.981800E-02     
  7      1.912746E+03           5.073400E-02     
  8      7.926043E+02           1.187290E-01     
  9      3.448065E+02           2.311640E-01     
 10      1.558999E+02           3.193220E-01     
 11      7.223091E+01           2.336480E-01     
 12      3.272506E+01           7.402200E-02     
 13      1.566762E+01           9.095200E-02     
 14      7.503483E+00           8.889800E-02     
 15      3.312223E+00           1.430200E-02     
 16      1.558471E+00          -3.870000E-04     
 17      6.839140E-01           8.000000E-06     
 18      1.467570E-01          -2.500000E-05     
 19      7.058300E-02           3.200000E-05     
S   19
  1      4.316265E+06          -7.200000E-05     
  2      6.463424E+05          -2.090000E-04     
  3      1.470897E+05          -5.790000E-04     
  4      4.166152E+04          -1.506000E-03     
  5      1.359077E+04          -3.939000E-03     
  6      4.905750E+03          -1.039600E-02     
  7      1.912746E+03          -2.707400E-02     
  8      7.926043E+02          -6.577700E-02     
  9      3.448065E+02          -1.390820E-01     
 10      1.558999E+02          -2.301500E-01     
 11      7.223091E+01          -2.296630E-01     
 12      3.272506E+01           4.609100E-02     
 13      1.566762E+01           5.150510E-01     
 14      7.503483E+00           4.871750E-01     
 15      3.312223E+00           8.438000E-02     
 16      1.558471E+00          -5.911000E-03     
 17      6.839140E-01          -4.400000E-05     
 18      1.467570E-01          -4.870000E-04     
 19      7.058300E-02           4.370000E-04     
S   19
  1      4.316265E+06           1.700000E-05     
  2      6.463424E+05           4.900000E-05     
  3      1.470897E+05           1.350000E-04     
  4      4.166152E+04           3.520000E-04     
  5      1.359077E+04           9.230000E-04     
  6      4.905750E+03           2.452000E-03     
  7      1.912746E+03           6.451000E-03     
  8      7.926043E+02           1.610600E-02     
  9      3.448065E+02           3.574200E-02     
 10      1.558999E+02           6.552800E-02     
 11      7.223091E+01           7.443000E-02     
 12      3.272506E+01          -2.571100E-02     
 13      1.566762E+01          -3.086450E-01     
 14      7.503483E+00          -4.465440E-01     
 15      3.312223E+00           1.489850E-01     
 16      1.558471E+00           7.203950E-01     
 17      6.839140E-01           3.896980E-01     
 18      1.467570E-01           1.918400E-02     
 19      7.058300E-02          -7.023000E-03     
S   19
  1      4.316265E+06          -4.000000E-06     
  2      6.463424E+05          -1.100000E-05     
  3      1.470897E+05          -2.900000E-05     
  4      4.166152E+04          -7.700000E-05     
  5      1.359077E+04          -2.010000E-04     
  6      4.905750E+03          -5.350000E-04     
  7      1.912746E+03          -1.408000E-03     
  8      7.926043E+02          -3.518000E-03     
  9      3.448065E+02          -7.814000E-03     
 10      1.558999E+02          -1.437200E-02     
 11      7.223091E+01          -1.638300E-02     
 12      3.272506E+01           5.643000E-03     
 13      1.566762E+01           7.122100E-02     
 14      7.503483E+00           1.078000E-01     
 15      3.312223E+00          -4.426200E-02     
 16      1.558471E+00          -2.259990E-01     
 17      6.839140E-01          -2.376280E-01     
 18      1.467570E-01           2.977800E-01     
 19      7.058300E-02           5.654970E-01     
S   19
  1      4.316265E+06          -7.000000E-06     
  2      6.463424E+05          -2.100000E-05     
  3      1.470897E+05          -5.800000E-05     
  4      4.166152E+04          -1.550000E-04     
  5      1.359077E+04          -3.930000E-04     
  6      4.905750E+03          -1.101000E-03     
  7      1.912746E+03          -2.693000E-03     
  8      7.926043E+02          -7.404000E-03     
  9      3.448065E+02          -1.448400E-02     
 10      1.558999E+02          -3.185300E-02     
 11      7.223091E+01          -2.535200E-02     
 12      3.272506E+01          -7.887000E-03     
 13      1.566762E+01           1.914700E-01     
 14      7.503483E+00           1.482420E-01     
 15      3.312223E+00           5.076100E-02     
 16      1.558471E+00          -1.012246E+00     
 17      6.839140E-01           3.423390E-01     
 18      1.467570E-01           1.857266E+00     
 19      7.058300E-02          -1.063679E+00     
S   1
  1      3.144900E-02           1.0000000        
S   1
  1      1.401000E-02           1.0000000        
P   15
  1      1.774569E+04           1.230000E-04     
  2      4.200721E+03           5.660000E-04     
  3      1.364429E+03           2.608000E-03     
  4      5.220806E+02           1.029500E-02     
  5      2.214595E+02           3.475100E-02     
  6      1.009096E+02           9.669000E-02     
  7      4.840115E+01           2.100300E-01     
  8      2.398536E+01           3.324570E-01     
  9      1.218250E+01           3.307710E-01     
 10      6.242298E+00           1.547330E-01     
 11      3.110944E+00           2.096400E-02     
 12      1.509958E+00          -2.346000E-03     
 13      7.108450E-01          -1.854000E-03     
 14      2.725980E-01          -3.170000E-04     
 15      1.039720E-01           3.000000E-05     
P   15
  1      1.774569E+04          -4.300000E-05     
  2      4.200721E+03          -2.000000E-04     
  3      1.364429E+03          -9.230000E-04     
  4      5.220806E+02          -3.668000E-03     
  5      2.214595E+02          -1.253900E-02     
  6      1.009096E+02          -3.584800E-02     
  7      4.840115E+01          -8.082200E-02     
  8      2.398536E+01          -1.346970E-01     
  9      1.218250E+01          -1.369120E-01     
 10      6.242298E+00           3.371300E-02     
 11      3.110944E+00           3.356700E-01     
 12      1.509958E+00           4.554960E-01     
 13      7.108450E-01           2.817600E-01     
 14      2.725980E-01           4.515000E-02     
 15      1.039720E-01          -3.165000E-03     
P   15
  1      1.774569E+04           9.000000E-06     
  2      4.200721E+03           4.400000E-05     
  3      1.364429E+03           2.010000E-04     
  4      5.220806E+02           8.000000E-04     
  5      2.214595E+02           2.738000E-03     
  6      1.009096E+02           7.848000E-03     
  7      4.840115E+01           1.773900E-02     
  8      2.398536E+01           2.974900E-02     
  9      1.218250E+01           3.038900E-02     
 10      6.242298E+00          -1.076500E-02     
 11      3.110944E+00          -8.768900E-02     
 12      1.509958E+00          -1.284700E-01     
 13      7.108450E-01          -7.399600E-02     
 14      2.725980E-01           2.154550E-01     
 15      1.039720E-01           5.720050E-01     
P   15
  1      1.774569E+04           1.400000E-05     
  2      4.200721E+03           6.600000E-05     
  3      1.364429E+03           3.030000E-04     
  4      5.220806E+02           1.219000E-03     
  5      2.214595E+02           4.120000E-03     
  6      1.009096E+02           1.195300E-02     
  7      4.840115E+01           2.662000E-02     
  8      2.398536E+01           4.569900E-02     
  9      1.218250E+01           4.503300E-02     
 10      6.242298E+00          -1.301100E-02     
 11      3.110944E+00          -1.413750E-01     
 12      1.509958E+00          -1.941480E-01     
 13      7.108450E-01          -1.017700E-01     
 14      2.725980E-01           4.678640E-01     
 15      1.039720E-01           6.242180E-01     
P   1
  1      3.816600E-02           1.0000000        
P   1
  1      1.401000E-02           1.0000000        
D   7
  1      1.148840E+02           3.532000E-03     
  2      3.388780E+01           2.555000E-02     
  3      1.237300E+01           9.835700E-02     
  4      4.999250E+00           2.379190E-01     
  5      2.070430E+00           3.565390E-01     
  6      8.281830E-01           3.628480E-01     
  7      3.075470E-01           2.388030E-01     
D   7
  1      1.148840E+02          -3.896000E-03     
  2      3.388780E+01          -2.820700E-02     
  3      1.237300E+01          -1.115730E-01     
  4      4.999250E+00          -2.728390E-01     
  5      2.070430E+00          -3.171520E-01     
  6      8.281830E-01           5.206200E-02     
  7      3.075470E-01           5.612690E-01     
D   1
  1      9.945500E-02           1.0000000        
D   1
  1      3.216000E-02           1.0000000        
F   2
  1      3.224300E+00           4.222490E-01     
  2      7.758000E-01           7.714680E-01     
F   1
  1      2.672300E-01           1.0000000        


name: aug-cc-pVDZ-DK
description: V5ZPD All-electron Douglas-Kroll Valence Quintuple Zeta + Polarization
elt: Co
data:
COBALT
S   19
  1      4.675675E+06           1.460000E-04     
  2      7.001615E+05           4.220000E-04     
  3      1.593373E+05           1.157000E-03     
  4      4.513046E+04           2.982000E-03     
  5      1.472238E+04           7.695000E-03     
  6      5.314222E+03           1.995300E-02     
  7      2.072018E+03           5.071700E-02     
  8      8.586188E+02           1.182300E-01     
  9      3.735497E+02           2.298040E-01     
 10      1.689229E+02           3.172830E-01     
 11      7.829639E+01           2.323250E-01     
 12      3.552123E+01           7.486300E-02     
 13      1.704144E+01           9.464900E-02     
 14      8.173000E+00           9.162500E-02     
 15      3.610318E+00           1.466000E-02     
 16      1.697047E+00          -4.140000E-04     
 17      7.435320E-01           5.000000E-06     
 18      1.583440E-01          -2.800000E-05     
 19      7.503600E-02           2.900000E-05     
S   19
  1      4.675675E+06          -7.700000E-05     
  2      7.001615E+05          -2.220000E-04     
  3      1.593373E+05          -6.100000E-04     
  4      4.513046E+04          -1.576000E-03     
  5      1.472238E+04          -4.085000E-03     
  6      5.314222E+03          -1.067800E-02     
  7      2.072018E+03          -2.761300E-02     
  8      8.586188E+02          -6.681600E-02     
  9      3.735497E+02          -1.409790E-01     
 10      1.689229E+02          -2.329210E-01     
 11      7.829639E+01          -2.320460E-01     
 12      3.552123E+01           4.655300E-02     
 13      1.704144E+01           5.169650E-01     
 14      8.173000E+00           4.848400E-01     
 15      3.610318E+00           8.328900E-02     
 16      1.697047E+00          -5.811000E-03     
 17      7.435320E-01          -5.400000E-05     
 18      1.583440E-01          -4.680000E-04     
 19      7.503600E-02           3.890000E-04     
S   19
  1      4.675675E+06           1.800000E-05     
  2      7.001615E+05           5.200000E-05     
  3      1.593373E+05           1.420000E-04     
  4      4.513046E+04           3.670000E-04     
  5      1.472238E+04           9.540000E-04     
  6      5.314222E+03           2.512000E-03     
  7      2.072018E+03           6.564000E-03     
  8      8.586188E+02           1.633100E-02     
  9      3.735497E+02           3.618600E-02     
 10      1.689229E+02           6.635200E-02     
 11      7.829639E+01           7.534300E-02     
 12      3.552123E+01          -2.648700E-02     
 13      1.704144E+01          -3.148050E-01     
 14      8.173000E+00          -4.467120E-01     
 15      3.610318E+00           1.601200E-01     
 16      1.697047E+00           7.213240E-01     
 17      7.435320E-01           3.823570E-01     
 18      1.583440E-01           1.818800E-02     
 19      7.503600E-02          -6.415000E-03     
S   19
  1      4.675675E+06          -4.000000E-06     
  2      7.001615E+05          -1.100000E-05     
  3      1.593373E+05          -3.000000E-05     
  4      4.513046E+04          -7.800000E-05     
  5      1.472238E+04          -2.040000E-04     
  6      5.314222E+03          -5.360000E-04     
  7      2.072018E+03          -1.402000E-03     
  8      8.586188E+02          -3.490000E-03     
  9      3.735497E+02          -7.740000E-03     
 10      1.689229E+02          -1.424000E-02     
 11      7.829639E+01          -1.622700E-02     
 12      3.552123E+01           5.692000E-03     
 13      1.704144E+01           7.113600E-02     
 14      8.173000E+00           1.054210E-01     
 15      3.610318E+00          -4.618700E-02     
 16      1.697047E+00          -2.220020E-01     
 17      7.435320E-01          -2.286240E-01     
 18      1.583440E-01           2.913320E-01     
 19      7.503600E-02           5.630580E-01     
S   19
  1      4.675675E+06          -7.000000E-06     
  2      7.001615E+05          -2.200000E-05     
  3      1.593373E+05          -5.900000E-05     
  4      4.513046E+04          -1.550000E-04     
  5      1.472238E+04          -3.910000E-04     
  6      5.314222E+03          -1.081000E-03     
  7      2.072018E+03          -2.638000E-03     
  8      8.586188E+02          -7.186000E-03     
  9      3.735497E+02          -1.414100E-02     
 10      1.689229E+02          -3.080100E-02     
 11      7.829639E+01          -2.503000E-02     
 12      3.552123E+01          -6.499000E-03     
 13      1.704144E+01           1.848310E-01     
 14      8.173000E+00           1.464850E-01     
 15      3.610318E+00           3.025500E-02     
 16      1.697047E+00          -9.422380E-01     
 17      7.435320E-01           3.006350E-01     
 18      1.583440E-01           1.741418E+00     
 19      7.503600E-02          -8.549780E-01     
S   1
  1      3.309100E-02           1.0000000        
S   1
  1      1.459000E-02           1.0000000        
P   15
  1      1.926778E+04           1.300000E-04     
  2      4.560986E+03           5.820000E-04     
  3      1.481436E+03           2.648000E-03     
  4      5.668671E+02           1.038100E-02     
  5      2.404910E+02           3.496300E-02     
  6      1.096105E+02           9.722900E-02     
  7      5.259491E+01           2.112480E-01     
  8      2.608361E+01           3.338520E-01     
  9      1.326143E+01           3.297510E-01     
 10      6.799778E+00           1.522940E-01     
 11      3.393414E+00           2.026500E-02     
 12      1.648766E+00          -2.285000E-03     
 13      7.762820E-01          -1.811000E-03     
 14      2.972090E-01          -2.960000E-04     
 15      1.133520E-01           2.800000E-05     
P   15
  1      1.926778E+04          -4.600000E-05     
  2      4.560986E+03          -2.080000E-04     
  3      1.481436E+03          -9.470000E-04     
  4      5.668671E+02          -3.738000E-03     
  5      2.404910E+02          -1.275000E-02     
  6      1.096105E+02          -3.644700E-02     
  7      5.259491E+01          -8.223500E-02     
  8      2.608361E+01          -1.369990E-01     
  9      1.326143E+01          -1.371210E-01     
 10      6.799778E+00           3.932100E-02     
 11      3.393414E+00           3.412260E-01     
 12      1.648766E+00           4.536340E-01     
 13      7.762820E-01           2.761140E-01     
 14      2.972090E-01           4.366500E-02     
 15      1.133520E-01          -3.070000E-03     
P   15
  1      1.926778E+04          -1.000000E-05     
  2      4.560986E+03          -4.600000E-05     
  3      1.481436E+03          -2.090000E-04     
  4      5.668671E+02          -8.250000E-04     
  5      2.404910E+02          -2.817000E-03     
  6      1.096105E+02          -8.068000E-03     
  7      5.259491E+01          -1.826800E-02     
  8      2.608361E+01          -3.058600E-02     
  9      1.326143E+01          -3.088300E-02     
 10      6.799778E+00           1.230300E-02     
 11      3.393414E+00           9.043100E-02     
 12      1.648766E+00           1.308200E-01     
 13      7.762820E-01           6.921100E-02     
 14      2.972090E-01          -2.248820E-01     
 15      1.133520E-01          -5.696560E-01     
P   15
  1      1.926778E+04           1.600000E-05     
  2      4.560986E+03           7.200000E-05     
  3      1.481436E+03           3.260000E-04     
  4      5.668671E+02           1.298000E-03     
  5      2.404910E+02           4.392000E-03     
  6      1.096105E+02           1.270000E-02     
  7      5.259491E+01           2.842400E-02     
  8      2.608361E+01           4.853300E-02     
  9      1.326143E+01           4.775200E-02     
 10      6.799778E+00          -1.665200E-02     
 11      3.393414E+00          -1.536670E-01     
 12      1.648766E+00          -2.056630E-01     
 13      7.762820E-01          -7.218000E-02     
 14      2.972090E-01           4.831410E-01     
 15      1.133520E-01           5.994720E-01     
P   1
  1      4.151000E-02           1.0000000        
P   1
  1      1.520000E-02           1.0000000        
D   7
  1      1.283920E+02           3.505000E-03     
  2      3.789380E+01           2.558300E-02     
  3      1.387980E+01           9.908400E-02     
  4      5.625440E+00           2.391390E-01     
  5      2.335390E+00           3.561510E-01     
  6      9.351920E-01           3.604140E-01     
  7      3.469530E-01           2.392120E-01     
D   7
  1      1.283920E+02          -4.065000E-03     
  2      3.789380E+01          -2.972900E-02     
  3      1.387980E+01          -1.184660E-01     
  4      5.625440E+00          -2.897200E-01     
  5      2.335390E+00          -3.203480E-01     
  6      9.351920E-01           8.568000E-02     
  7      3.469530E-01           5.591230E-01     
D   1
  1      1.117230E-01           1.0000000        
D   1
  1      3.598000E-02           1.0000000        
F   2
  1      3.772400E+00           4.239660E-01     
  2      9.170000E-01           7.684290E-01     
F   1
  1      3.204100E-01           1.0000000        


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-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: 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: 1D Diffuse Functions
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: 1D Diffuse Functions
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: 1D Diffuse Functions
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: 1D Diffuse Functions
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: 1D Diffuse Functions
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: 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: 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 Diffuse
description: 1D Diffuse Functions
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 Diffuse
description: 1D Diffuse Functions
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 Diffuse
description: 1D Diffuse Functions
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 Diffuse
description: 1D Diffuse Functions
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 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: 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: 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-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: 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: 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
description: VDZPD Valence Double Zeta + Polarization on All Atoms
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: VDZPD Valence Double Zeta + Polarization on All Atoms
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: VDZPD Valence Double Zeta + Polarization on All Atoms
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: VDZPD Valence Double Zeta + Polarization on All Atoms
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: VDZPD Valence Double Zeta + Polarization on All Atoms
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: VDZPD Valence Double Zeta + Polarization on All Atoms
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: 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: 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: VDZPD Valence Double Zeta + Polarization on All Atoms
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: VDZPD Valence Double Zeta + Polarization on All Atoms
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: VDZPD Valence Double Zeta + Polarization on All Atoms
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: VDZPD Valence Double Zeta + Polarization on All Atoms
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: VDZPD Valence Double Zeta + Polarization on All Atoms
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: 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: 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: VDZPD Valence Double Zeta + Polarization on All Atoms
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: VDZPD Valence Double Zeta + Polarization on All Atoms
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: VDZPD Valence Double Zeta + Polarization on All Atoms
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: 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-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-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-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_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 Diffuse
description: 1D Diffuse Functions
elt: H
data:
HYDROGEN
S   1
  1      0.0236300              1.0000000        
P   1
  1      0.0848000              1.0000000        
D   1
  1      0.1900000              1.0000000        
F   1
  1      0.3600000              1.0000000        


name: aug-cc-pVQZ Diffuse
description: 1D Diffuse Functions
elt: He
data:
HELIUM
S   1
  1      0.0481900              1.0000000        
P   1
  1      0.1626000              1.0000000        
D   1
  1      0.3510000              1.0000000        
F   1
  1      0.6906000              1.0000000        


name: aug-cc-pVQZ Diffuse
description: 1D Diffuse Functions
elt: Li
data:
LITHIUM
S   1
  1      0.0063600              1.0000000        
P   1
  1      0.0075600              1.0000000        
D   1
  1      0.0266000              1.0000000        
F   1
  1      0.0552000              1.0000000        
G   1
  1      0.1050000              1.0000000        


name: aug-cc-pVQZ Diffuse
description: 1D Diffuse Functions
elt: Be
data:
BERYLLIUM
S   1
  1      0.0143900              1.0000000        
P   1
  1      0.0065000              1.0000000        
D   1
  1      0.0554000              1.0000000        
F   1
  1      0.0930000              1.0000000        
G   1
  1      0.1834000              1.0000000        


name: aug-cc-pVQZ Diffuse
description: 1D Diffuse Functions
elt: B
data:
BORON
S   1
  1      0.0272100              1.0000000        
P   1
  1      0.0187800              1.0000000        
D   1
  1      0.0466000              1.0000000        
F   1
  1      0.1130000              1.0000000        
G   1
  1      0.2730000              1.0000000        


name: aug-cc-pVQZ Diffuse
description: 1D Diffuse Functions
elt: C
data:
CARBON
S   1
  1      0.0414500              1.0000000        
P   1
  1      0.0321800              1.0000000        
D   1
  1      0.0766000              1.0000000        
F   1
  1      0.1870000              1.0000000        
G   1
  1      0.4240000              1.0000000        


name: aug-cc-pVQZ Diffuse
description: 1D Diffuse Functions
elt: N
data:
NITROGEN
S   1
  1      0.0546400              1.0000000        
P   1
  1      0.0440200              1.0000000        
D   1
  1      0.1110000              1.0000000        
F   1
  1      0.2450000              1.0000000        
G   1
  1      0.5590000              1.0000000        


name: aug-cc-pVQZ Diffuse
description: 1D Diffuse Functions
elt: O
data:
OXYGEN
S   1
  1      0.0695900              1.0000000        
P   1
  1      0.0534800              1.0000000        
D   1
  1      0.1540000              1.0000000        
F   1
  1      0.3240000              1.0000000        
G   1
  1      0.7140000              1.0000000        


name: aug-cc-pVQZ Diffuse
description: 1D Diffuse Functions
elt: F
data:
FLUORINE
S   1
  1      0.0859400              1.0000000        
P   1
  1      0.0656800              1.0000000        
D   1
  1      0.2070000              1.0000000        
F   1
  1      0.4600000              1.0000000        
G   1
  1      0.9240000              1.0000000        


name: aug-cc-pVQZ Diffuse
description: 1D Diffuse Functions
elt: Ne
data:
NEON
S   1
  1      0.1054000              1.0000000        
P   1
  1      0.0817800              1.0000000        
D   1
  1      0.2730000              1.0000000        
F   1
  1      0.6890000              1.0000000        
G   1
  1      1.2240000              1.0000000        


name: aug-cc-pVQZ Diffuse
description: 1D Diffuse Functions
elt: Na
data:
SODIUM
S   1
  1      0.0050300              1.0000000        
P   1
  1      0.0077200              1.0000000        
D   1
  1      0.0210000              1.0000000        
F   1
  1      0.0453000              1.0000000        
G   1
  1      0.0866000              1.0000000        


name: aug-cc-pVQZ Diffuse
description: 1D Diffuse Functions
elt: Mg
data:
MAGNESIUM
S   1
  1      0.0123900              1.0000000        
P   1
  1      0.0070600              1.0000000        
D   1
  1      0.0382000              1.0000000        
F   1
  1      0.0700000              1.0000000        
G   1
  1      0.1480000              1.0000000        


