# all_value

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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


name: aug-cc-pVQZ 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        


name: aug-cc-pVQZ Diffuse
description: 1D Diffuse Functions
elt: Al
data:
ALUMINUM
S   1
  1      0.0183000              1.0000000        
P   1
  1      0.0121000              1.0000000        
D   1
  1      0.0282000              1.0000000        
F   1
  1      0.0582000              1.0000000        
G   1
  1      0.1530000              1.0000000        


name: aug-cc-pVQZ Diffuse
description: 1D Diffuse Functions
elt: Si
data:
SILICON
S   1
  1      0.0275000              1.0000000        
P   1
  1      0.0200000              1.0000000        
D   1
  1      0.0435000              1.0000000        
F   1
  1      0.0846000              1.0000000        
G   1
  1      0.2120000              1.0000000        


name: aug-cc-pVQZ Diffuse
description: 1D Diffuse Functions
elt: P
data:
PHOSPHOROUS
S   1
  1      0.0354000              1.0000000        
P   1
  1      0.0272000              1.0000000        
D   1
  1      0.0594000              1.0000000        
F   1
  1      0.1090000              1.0000000        
G   1
  1      0.2500000              1.0000000        


name: aug-cc-pVQZ Diffuse
description: 1D Diffuse Functions
elt: S
data:
SULFUR
S   1
  1      0.0428000              1.0000000        
P   1
  1      0.0317000              1.0000000        
D   1
  1      0.0748000              1.0000000        
F   1
  1      0.1400000              1.0000000        
G   1
  1      0.2970000              1.0000000        


name: aug-cc-pVQZ Diffuse
description: 1D Diffuse Functions
elt: Cl
data:
CHLORINE
S   1
  1      0.0519000              1.0000000        
P   1
  1      0.0376000              1.0000000        
D   1
  1      0.0952000              1.0000000        
F   1
  1      0.2170000              1.0000000        
G   1
  1      0.3780000              1.0000000        


name: aug-cc-pVQZ Diffuse
description: 1D Diffuse Functions
elt: Ar
data:
ARGON
S   1
  1      0.0610000              1.0000000        
P   1
  1      0.0435000              1.0000000        
D   1
  1      0.1160000              1.0000000        
F   1
  1      0.2940000              1.0000000        
G   1
  1      0.4590000              1.0000000        


name: aug-cc-pVQZ Diffuse
description: 1D Diffuse Functions
elt: Sc
data:
SCANDIUM
S   1
  1      0.0104700              1.0000000        
P   1
  1      0.0101200              1.0000000        
D   1
  1      0.0095200              1.0000000        
F   1
  1      0.0312800              1.0000000        
G   1
  1      0.0723600              1.0000000        
H   1
  1      0.1226400              1.0000000        


name: aug-cc-pVQZ Diffuse
description: 1D Diffuse Functions
elt: Ti
data:
TITANIUM
S   1
  1      0.0111000              1.0000000        
P   1
  1      0.0110300              1.0000000        
D   1
  1      0.0127900              1.0000000        
F   1
  1      0.0554100              1.0000000        
G   1
  1      0.1256600              1.0000000        
H   1
  1      0.2724200              1.0000000        


name: aug-cc-pVQZ Diffuse
description: 1D Diffuse Functions
elt: V
data:
VANADIUM
S   1
  1      0.0117200              1.0000000        
P   1
  1      0.0116600              1.0000000        
D   1
  1      0.0163000              1.0000000        
F   1
  1      0.0818500              1.0000000        
G   1
  1      0.1933900              1.0000000        
H   1
  1      0.4711900              1.0000000        


name: aug-cc-pVQZ Diffuse
description: 1D Diffuse Functions
elt: Cr
data:
CHROMIUM
S   1
  1      0.0115700              1.0000000        
P   1
  1      0.0123300              1.0000000        
D   1
  1      0.0177800              1.0000000        
F   1
  1      0.1037300              1.0000000        
G   1
  1      0.2454500              1.0000000        
H   1
  1      0.6329200              1.0000000        


name: aug-cc-pVQZ Diffuse
description: 1D Diffuse Functions
elt: Mn
data:
MANGANESE
S   1
  1      0.0128000              1.0000000        
P   1
  1      0.0128700              1.0000000        
D   1
  1      0.0197800              1.0000000        
F   1
  1      0.1282900              1.0000000        
G   1
  1      0.3184100              1.0000000        
H   1
  1      0.7767100              1.0000000        


name: aug-cc-pVQZ Diffuse
description: 1D Diffuse Functions
elt: Fe
data:
IRON
S   1
  1      0.0134800              1.0000000        
P   1
  1      0.0130500              1.0000000        
D   1
  1      0.0220500              1.0000000        
F   1
  1      0.1551400              1.0000000        
G   1
  1      0.4073800              1.0000000        
H   1
  1      0.9587800              1.0000000        


name: aug-cc-pVQZ Diffuse
description: 1D Diffuse Functions
elt: Co
data:
COBALT
S   1
  1      0.0140900              1.0000000        
P   1
  1      0.0142100              1.0000000        
D   1
  1      0.0243200              1.0000000        
F   1
  1      0.1841600              1.0000000        
G   1
  1      0.4963100              1.0000000        
H   1
  1      1.1579100              1.0000000        


name: aug-cc-pVQZ Diffuse
description: 1D Diffuse Functions
elt: Ni
data:
NICKEL
S   1
  1      0.0146700              1.0000000        
P   1
  1      0.0138800              1.0000000        
D   1
  1      0.0269100              1.0000000        
F   1
  1      0.2265000              1.0000000        
G   1
  1      0.6237000              1.0000000        
H   1
  1      1.4486000              1.0000000        


name: aug-cc-pVQZ Diffuse
description: 1D Diffuse Functions
elt: Cu
data:
COPPER
S   1
  1      0.0152400              1.0000000        
P   1
  1      0.0142600              1.0000000        
D   1
  1      0.0461400              1.0000000        
F   1
  1      0.2574700              1.0000000        
G   1
  1      0.7321200              1.0000000        
H   1
  1      1.6768100              1.0000000        


name: aug-cc-pVQZ Diffuse
description: 1D Diffuse Functions
elt: Zn
data:
ZINC
S   1
  1      0.0157600              1.0000000        
P   1
  1      0.0147200              1.0000000        
D   1
  1      0.0659800              1.0000000        
F   1
  1      0.2994900              1.0000000        
G   1
  1      0.8673600              1.0000000        
H   1
  1      2.0273400              1.0000000        


name: aug-cc-pVQZ Diffuse
description: 1D Diffuse Functions
elt: Ga
data:
GALLIUM
S   1
  1      0.0184750              1.0000000        
P   1
  1      0.0114060              1.0000000        
D   1
  1      0.0279000              1.0000000        
F   1
  1      0.0655000              1.0000000        
G   1
  1      0.1680000              1.0000000        


name: aug-cc-pVQZ Diffuse
description: 1D Diffuse Functions
elt: Ge
data:
GERMANIUM
S   1
  1      0.0263900              1.0000000        
P   1
  1      0.0185500              1.0000000        
D   1
  1      0.0397000              1.0000000        
F   1
  1      0.0884000              1.0000000        
G   1
  1      0.2143000              1.0000000        


name: aug-cc-pVQZ Diffuse
description: 1D Diffuse Functions
elt: As
data:
ARSENIC
S   1
  1      0.0324990              1.0000000        
P   1
  1      0.0236980              1.0000000        
D   1
  1      0.0531000              1.0000000        
F   1
  1      0.1132000              1.0000000        
G   1
  1      0.2390000              1.0000000        


name: aug-cc-pVQZ Diffuse
description: 1D Diffuse Functions
elt: Se
data:
SELENIUM
S   1
  1      0.0381520              1.0000000        
P   1
  1      0.0265690              1.0000000        
D   1
  1      0.0619000              1.0000000        
F   1
  1      0.1240000              1.0000000        
G   1
  1      0.2630000              1.0000000        


name: aug-cc-pVQZ Diffuse
description: 1D Diffuse Functions
elt: Br
data:
BROMINE
S   1
  1      0.0442700              1.0000000        
P   1
  1      0.0305130              1.0000000        
D   1
  1      0.0829000              1.0000000        
F   1
  1      0.1748000              1.0000000        
G   1
  1      0.3110000              1.0000000        


name: aug-cc-pVQZ Diffuse
description: 1D Diffuse Functions
elt: Kr
data:
KRYPTON
S   1
  1      0.0503880              1.0000000        
P   1
  1      0.0344570              1.0000000        
D   1
  1      0.1039000              1.0000000        
F   1
  1      0.2256000              1.0000000        
G   1
  1      0.3590000              1.0000000        


name: aug-cc-pVQZ-DK Diffuse
description: 1D Diffuse Functions
elt: Sc
data:
SCANDIUM
S   1
  1      0.0104700              1.0000000        
P   1
  1      0.0100800              1.0000000        
D   1
  1      0.0094700              1.0000000        
F   1
  1      0.0306700              1.0000000        
G   1
  1      0.0706000              1.0000000        
H   1
  1      0.1193100              1.0000000        


name: aug-cc-pVQZ-DK Diffuse
description: 1D Diffuse Functions
elt: Ti
data:
TITANIUM
S   1
  1      0.0111000              1.0000000        
P   1
  1      0.0109800              1.0000000        
D   1
  1      0.0127600              1.0000000        
F   1
  1      0.0544900              1.0000000        
G   1
  1      0.1231300              1.0000000        
H   1
  1      0.2625300              1.0000000        


name: aug-cc-pVQZ-DK Diffuse
description: 1D Diffuse Functions
elt: V
data:
VANADIUM
S   1
  1      0.0117200              1.0000000        
P   1
  1      0.0117200              1.0000000        
D   1
  1      0.0162000              1.0000000        
F   1
  1      0.0805300              1.0000000        
G   1
  1      0.1892900              1.0000000        
H   1
  1      0.4549900              1.0000000        


name: aug-cc-pVQZ-DK Diffuse
description: 1D Diffuse Functions
elt: Cr
data:
CHROMIUM
S   1
  1      0.0115700              1.0000000        
P   1
  1      0.0123200              1.0000000        
D   1
  1      0.0178000              1.0000000        
F   1
  1      0.1024200              1.0000000        
G   1
  1      0.2400200              1.0000000        
H   1
  1      0.6147900              1.0000000        


name: aug-cc-pVQZ-DK Diffuse
description: 1D Diffuse Functions
elt: Mn
data:
MANGANESE
S   1
  1      0.0128000              1.0000000        
P   1
  1      0.0128400              1.0000000        
D   1
  1      0.0196900              1.0000000        
F   1
  1      0.1262400              1.0000000        
G   1
  1      0.3111900              1.0000000        
H   1
  1      0.7551300              1.0000000        


name: aug-cc-pVQZ-DK Diffuse
description: 1D Diffuse Functions
elt: Fe
data:
IRON
S   1
  1      0.0134800              1.0000000        
P   1
  1      0.0130200              1.0000000        
D   1
  1      0.0218600              1.0000000        
F   1
  1      0.1527000              1.0000000        
G   1
  1      0.3981500              1.0000000        
H   1
  1      0.9324500              1.0000000        


name: aug-cc-pVQZ-DK Diffuse
description: 1D Diffuse Functions
elt: Co
data:
COBALT
S   1
  1      0.0140900              1.0000000        
P   1
  1      0.0141900              1.0000000        
D   1
  1      0.0238600              1.0000000        
F   1
  1      0.1808700              1.0000000        
G   1
  1      0.4852100              1.0000000        
H   1
  1      1.1246100              1.0000000        


name: aug-cc-pVQZ-DK Diffuse
description: 1D Diffuse Functions
elt: Ni
data:
NICKEL
S   1
  1      0.0146700              1.0000000        
P   1
  1      0.0138300              1.0000000        
D   1
  1      0.0264700              1.0000000        
F   1
  1      0.2152600              1.0000000        
G   1
  1      0.6112100              1.0000000        
H   1
  1      1.3438200              1.0000000        


name: aug-cc-pVQZ-DK Diffuse
description: 1D Diffuse Functions
elt: Cu
data:
COPPER
S   1
  1      0.0152400              1.0000000        
P   1
  1      0.0141900              1.0000000        
D   1
  1      0.0452700              1.0000000        
F   1
  1      0.2500700              1.0000000        
G   1
  1      0.7103500              1.0000000        
H   1
  1      1.6227600              1.0000000        


name: aug-cc-pVQZ-DK Diffuse
description: 1D Diffuse Functions
elt: Zn
data:
ZINC
S   1
  1      0.0157600              1.0000000        
P   1
  1      0.0146400              1.0000000        
D   1
  1      0.0650000              1.0000000        
F   1
  1      0.2939000              1.0000000        
G   1
  1      0.8473000              1.0000000        
H   1
  1      1.9605400              1.0000000        


name: aug-cc-pVQZ-NR Diffuse
description: 1D Diffuse Functions
elt: Sc
data:
SCANDIUM
S   1
  1      0.0104700              1.0000000        
P   1
  1      0.0101200              1.0000000        
D   1
  1      0.0095200              1.0000000        
F   1
  1      0.0312800              1.0000000        
G   1
  1      0.0723600              1.0000000        
H   1
  1      0.1226400              1.0000000        


name: aug-cc-pVQZ-NR Diffuse
description: 1D Diffuse Functions
elt: Zn
data:
ZINC
S   1
  1      0.0157600              1.0000000        
P   1
  1      0.0147200              1.0000000        
D   1
  1      0.0659800              1.0000000        
F   1
  1      0.2994900              1.0000000        
G   1
  1      0.8673600              1.0000000        
H   1
  1      2.0273400              1.0000000        


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


name: aug-cc-pVQZ
description: VQZ3PD Valence Quadruple Zeta + Polarization + Diffuse
elt: Cu
data:
COPPER
S   21
  1 16665490.0000000            1.92221E-06      
  2 2495213.0000000             1.494655E-05     
  3 567850.7000000              7.863106E-05     
  4 160853.1000000              0.0003321189     
  5  52481.8600000              0.001209649      
  6  18948.8500000              0.003936231      
  7   7391.6550000              0.01166031       
  8   3066.5170000              0.03149512       
  9   1337.9940000              0.07646385       
 10    608.7830000              0.1595162        
 11    286.8980000              0.2618983        
 12    139.1530000              0.2816708        
 13     68.4945500              0.1509587        
 14     31.6010800              0.07041955       
 15     15.9915800              0.1180039        
 16      8.0565100              0.08015187       
 17      3.6903290              0.01020122       
 18      1.7629020             -0.0003720464     
 19      0.8012690             -2.206886E-05     
 20      0.1842430             -2.401085E-05     
 21      0.0817930              1.529816E-05     
S   21
  1 16665490.0000000           -1.082642E-06     
  2 2495213.0000000            -8.420869E-06     
  3 567850.7000000             -4.428625E-05     
  4 160853.1000000             -0.0001872071     
  5  52481.8600000             -0.0006819265     
  6  18948.8500000             -0.002225485      
  7   7391.6550000             -0.00661962       
  8   3066.5170000             -0.0181140        
  9   1337.9940000             -0.04506622       
 10    608.7830000             -0.09955443       
 11    286.8980000             -0.1830558        
 12    139.1530000             -0.2510577        
 13     68.4945500             -0.1703417        
 14     31.6010800              0.1900077        
 15     15.9915800              0.5507048        
 16      8.0565100              0.3642532        
 17      3.6903290              0.04868977       
 18      1.7629020             -0.003799993      
 19      0.8012690             -0.0003156308     
 20      0.1842430             -0.0002430411     
 21      0.0817930              0.0001553645     
S   21
  1 16665490.0000000            2.389605E-07     
  2 2495213.0000000             1.860009E-06     
  3 567850.7000000              9.77258E-06      
  4 160853.1000000              4.137619E-05     
  5  52481.8600000              0.0001505588     
  6  18948.8500000              0.0004932175     
  7   7391.6550000              0.001469467      
  8   3066.5170000              0.004071487      
  9   1337.9940000              0.01030091       
 10    608.7830000              0.02381408       
 11    286.8980000              0.04707008       
 12    139.1530000              0.0742445        
 13     68.4945500              0.05657657       
 14     31.6010800             -0.09760862       
 15     15.9915800             -0.3856399        
 16      8.0565100             -0.3540312        
 17      3.6903290              0.2983959        
 18      1.7629020              0.6861809        
 19      0.8012690              0.3150989        
 20      0.1842430              0.01394564       
 21      0.0817930             -0.00361164       
S   21
  1 16665490.0000000           -4.823436E-08     
  2 2495213.0000000            -3.753858E-07     
  3 567850.7000000             -1.972743E-06     
  4 160853.1000000             -8.349961E-06     
  5  52481.8600000             -3.039535E-05     
  6  18948.8500000             -9.95301E-05      
  7   7391.6550000             -0.0002967188     
  8   3066.5170000             -0.0008217293     
  9   1337.9940000             -0.002081377      
 10    608.7830000             -0.004811149      
 11    286.8980000             -0.009537683      
 12    139.1530000             -0.01507351       
 13     68.4945500             -0.01161088       
 14     31.6010800              0.02032716       
 15     15.9915800              0.08327403       
 16      8.0565100              0.07953125       
 17      3.6903290             -0.07901524       
 18      1.7629020             -0.2054312        
 19      0.8012690             -0.1985134        
 20      0.1842430              0.2627133        
 21      0.0817930              0.5794031        
S   21
  1 16665490.0000000           -8.876635E-08     
  2 2495213.0000000            -7.032135E-07     
  3 567850.7000000             -3.601366E-06     
  4 160853.1000000             -1.576871E-05     
  5  52481.8600000             -5.499726E-05     
  6  18948.8500000             -0.0001897055     
  7   7391.6550000             -0.0005311656     
  8   3066.5170000             -0.001584593      
  9   1337.9940000             -0.003671316      
 10    608.7830000             -0.009458893      
 11    286.8980000             -0.01630134       
 12    139.1530000             -0.03145402       
 13     68.4945500             -0.01444712       
 14     31.6010800              0.02037856       
 15     15.9915800              0.1997307        
 16      8.0565100              0.09475926       
 17      3.6903290             -0.07935398       
 18      1.7629020             -0.7591353        
 19      0.8012690              0.2365079        
 20      0.1842430              1.4226040        
 21      0.0817930             -0.3066203        
S   21
  1 16665490.0000000           -1.849356E-07     
  2 2495213.0000000            -1.461905E-06     
  3 567850.7000000             -7.510534E-06     
  4 160853.1000000             -3.274989E-05     
  5  52481.8600000             -0.0001148239     
  6  18948.8500000             -0.0003935903     
  7   7391.6550000             -0.001110617      
  8   3066.5170000             -0.003284174      
  9   1337.9940000             -0.007697235      
 10    608.7830000             -0.01959013       
 11    286.8980000             -0.03444712       
 12    139.1530000             -0.06507176       
 13     68.4945500             -0.03269416       
 14     31.6010800              0.04738915       
 15     15.9915800              0.4333712        
 16      8.0565100              0.3189521        
 17      3.6903290             -0.7281955        
 18      1.7629020             -1.6631160        
 19      0.8012690              2.5132670        
 20      0.1842430             -0.3736861        
 21      0.0817930             -1.4791020        
S   21
  1 16665490.0000000           -1.980951E-07     
  2 2495213.0000000            -1.446191E-06     
  3 567850.7000000             -8.326308E-06     
  4 160853.1000000             -3.11938E-05      
  5  52481.8600000             -0.0001320842     
  6  18948.8500000             -0.0003585362     
  7   7391.6550000             -0.001333996      
  8   3066.5170000             -0.002824728      
  9   1337.9940000             -0.009806333      
 10    608.7830000             -0.01529323       
 11    286.8980000             -0.04956573       
 12    139.1530000             -0.03583468       
 13     68.4945500             -0.1044906        
 14     31.6010800              0.2105854        
 15     15.9915800              0.1646732        
 16      8.0565100              1.1505130        
 17      3.6903290             -3.4837320        
 18      1.7629020              2.5166360        
 19      0.8012690              0.4429064        
 20      0.1842430             -3.4043100        
 21      0.0817930              4.6278500        
S   1
  1      0.0353030              1.0000000        
S   1
  1      0.0152400              1.0000000        
P   16
  1  48218.4100000              0.0000110        
  2  11420.5500000              0.0000970        
  3   3713.5690000              0.0005690        
  4   1423.7620000              0.0025890        
  5    606.6041000              0.0097420        
  6    278.2564000              0.0309300        
  7    134.8449000              0.0825300        
  8     68.1225400              0.1777580        
  9     35.4008800              0.2922250        
 10     18.7902900              0.3303490        
 11     10.0835600              0.2068630        
 12      5.3461200              0.0527930        
 13      2.7752280              0.0017180        
 14      1.4075640             -0.0017010        
 15      0.6872130             -0.0009760        
 16      0.2468220             -0.0000540        
P   17
  1  48218.4100000             -0.0000040        
  2  11420.5500000             -0.0000350        
  3   3713.5690000             -0.0002060        
  4   1423.7620000             -0.0009410        
  5    606.6041000             -0.0035560        
  6    278.2564000             -0.0114610        
  7    134.8449000             -0.0313090        
  8     68.1225400             -0.0701390        
  9     35.4008800             -0.1205620        
 10     18.7902900             -0.1435520        
 11     10.0835600             -0.0403270        
 12      5.3461200              0.2084660        
 13      2.7752280              0.4087240        
 14      1.4075640              0.3682010        
 15      0.6872130              0.1596530        
 16      0.2468220              0.0159550        
 17      0.0962200             -0.0016810        
P   17
  1  48218.4100000              0.0000010        
  2  11420.5500000              0.0000070        
  3   3713.5690000              0.0000400        
  4   1423.7620000              0.0001820        
  5    606.6041000              0.0006970        
  6    278.2564000              0.0022200        
  7    134.8449000              0.0061630        
  8     68.1225400              0.0136310        
  9     35.4008800              0.0240330        
 10     18.7902900              0.0278620        
 11     10.0835600              0.0079750        
 12      5.3461200             -0.0511330        
 13      2.7752280             -0.0923050        
 14      1.4075640             -0.1064580        
 15      0.6872130              0.0037380        
 16      0.2468220              0.3105410        
 17      0.0962200              0.5419030        
P   17
  1  48218.4100000              0.0000020        
  2  11420.5500000              0.0000130        
  3   3713.5690000              0.0000790        
  4   1423.7620000              0.0003490        
  5    606.6041000              0.0013730        
  6    278.2564000              0.0042610        
  7    134.8449000              0.0121460        
  8     68.1225400              0.0260640        
  9     35.4008800              0.0479070        
 10     18.7902900              0.0528290        
 11     10.0835600              0.0215750        
 12      5.3461200             -0.1177830        
 13      2.7752280             -0.1883970        
 14      1.4075640             -0.2019160        
 15      0.6872130              0.1737430        
 16      0.2468220              0.6368480        
 17      0.0962200              0.3515180        
P   17
  1  48218.4100000              0.0000030        
  2  11420.5500000              0.0000250        
  3   3713.5690000              0.0001630        
  4   1423.7620000              0.0006760        
  5    606.6041000              0.0028080        
  6    278.2564000              0.0082550        
  7    134.8449000              0.0249460        
  8     68.1225400              0.0501600        
  9     35.4008800              0.1002890        
 10     18.7902900              0.1023190        
 11     10.0835600              0.0772410        
 12      5.3461200             -0.3844490        
 13      2.7752280             -0.4513540        
 14      1.4075640             -0.0947780        
 15      0.6872130              1.1731180        
 16      0.2468220             -0.0541330        
 17      0.0962200             -0.7282440        
P   17
  1  48218.4100000              0.0000040        
  2  11420.5500000              0.0000370        
  3   3713.5690000              0.0001900        
  4   1423.7620000              0.0009780        
  5    606.6041000              0.0033080        
  6    278.2564000              0.0119800        
  7    134.8449000              0.0292070        
  8     68.1225400              0.0751220        
  9     35.4008800              0.1078350        
 10     18.7902900              0.2073790        
 11     10.0835600              0.0604060        
 12      5.3461200             -0.8949770        
 13      2.7752280             -0.5584020        
 14      1.4075640              1.8997060        
 15      0.6872130             -0.5022240        
 16      0.2468220             -1.1824130        
 17      0.0962200              1.0445070        
P   1
  1      0.0370370              1.0000000        
P   1
  1      0.0142600              1.0000000        
D   10
  1    527.8860000              0.0002560        
  2    158.7330000              0.0023780        
  3     61.5556000              0.0127220        
  4     26.8834000              0.0450120        
  5     12.5175000              0.1171960        
  6      6.0697700              0.2185550        
  7      2.9583190              0.2914480        
  8      1.4141220              0.2971380        
  9      0.6533290              0.2360920        
 10      0.2866920              0.1314440        
D   10
  1    527.8860000             -0.0003160        
  2    158.7330000             -0.0029580        
  3     61.5556000             -0.0158770        
  4     26.8834000             -0.0568640        
  5     12.5175000             -0.1535840        
  6      6.0697700             -0.2811390        
  7      2.9583190             -0.2685180        
  8      1.4141220              0.0231300        
  9      0.6533290              0.3566200        
 10      0.2866920              0.4184700        
D   10
  1    527.8860000              0.0003790        
  2    158.7330000              0.0035730        
  3     61.5556000              0.0192290        
  4     26.8834000              0.0699030        
  5     12.5175000              0.1993800        
  6      6.0697700              0.3488480        
  7      2.9583190              0.0513940        
  8      1.4141220             -0.5596790        
  9      0.6533290             -0.3845810        
 10      0.2866920              0.4389250        
D   10
  1    527.8860000             -0.0005930        
  2    158.7330000             -0.0051060        
  3     61.5556000             -0.0299220        
  4     26.8834000             -0.1032930        
  5     12.5175000             -0.3595680        
  6      6.0697700             -0.4128070        
  7      2.9583190              0.7476890        
  8      1.4141220              0.5425150        
  9      0.6533290             -0.9777060        
 10      0.2866920             -0.0886030        
D   1
  1      0.1150140              1.0000000        
D   1
  1      0.0461400              1.0000000        
F   1
  1      7.7344000              1.0000000        
F   1
  1      2.3909000              1.0000000        
F   1
  1      0.7391000              1.0000000        
F   1
  1      0.2574700              1.0000000        
G   1
  1      6.0075000              1.0000000        
G   1
  1      1.7760000              1.0000000        
G   1
  1      0.7321200              1.0000000        
H   1
  1      3.7909000              1.0000000        
H   1
  1      1.6768100              1.0000000        


