# all_value

name: cc-pwCVTZ-NR
description: TZ2P All-electron non-relativistic Core-Valence Triple Zeta + Polarization
elt: Ni
data:
NICKEL
S   19
  1 5045991.0000000             8.208996E-06     
  2 755614.2000000              6.382884E-05     
  3 171956.8000000              0.00033558       
  4  48704.7900000              0.001415075      
  5  15888.4100000              0.005124444      
  6   5735.1230000              0.01643256       
  7   2236.1370000              0.04689398       
  8    926.6468000              0.1163534        
  9    403.1743000              0.2350511        
 10    182.3476000              0.3350184        
 11     84.5488500              0.2534779        
 12     38.3963400              0.07300901       
 13     18.4585900              0.06184244       
 14      8.8635480              0.06302956       
 15      3.9162270              0.01008063       
 16      1.8388700             -0.0002244528     
 17      0.8043620             -5.932767E-05     
 18      0.1697970             -1.158562E-05     
 19      0.0793060              8.115109E-06     
S   19
  1 5045991.0000000            -3.657849E-06     
  2 755614.2000000             -2.844094E-05     
  3 171956.8000000             -0.0001495928     
  4  48704.7900000             -0.0006313009     
  5  15888.4100000             -0.002293052      
  6   5735.1230000             -0.007405123      
  7   2236.1370000             -0.02152032       
  8    926.6468000             -0.05560974       
  9    403.1743000             -0.1230176        
 10    182.3476000             -0.2130104        
 11     84.5488500             -0.2265837        
 12     38.3963400              0.03546796       
 13     18.4585900              0.5181697        
 14      8.8635480              0.5025630        
 15      3.9162270              0.08955674       
 16      1.8388700             -0.007031311      
 17      0.8043620             -0.0004339167     
 18      0.1697970             -0.0005831711     
 19      0.0793060              0.0004228788     
S   19
  1 5045991.0000000             9.594149E-07     
  2 755614.2000000              7.462614E-06     
  3 171956.8000000              3.923843E-05     
  4  48704.7900000              0.0001657868     
  5  15888.4100000              0.0006025905     
  6   5735.1230000              0.001955662      
  7   2236.1370000              0.005730391      
  8    926.6468000              0.01514756       
  9    403.1743000              0.03493499       
 10    182.3476000              0.06598072       
 11     84.5488500              0.07893083       
 12     38.3963400             -0.01906249       
 13     18.4585900             -0.3095921        
 14      8.8635480             -0.4558610        
 15      3.9162270              0.1482931        
 16      1.8388700              0.7134039        
 17      0.8043620              0.3976063        
 18      0.1697970              0.02295523       
 19      0.0793060             -0.009151758      
S   19
  1 5045991.0000000            -2.013753E-07     
  2 755614.2000000             -1.565832E-06     
  3 171956.8000000             -8.237182E-06     
  4  48704.7900000             -3.478105E-05     
  5  15888.4100000             -0.0001265265     
  6   5735.1230000             -0.0004102589     
  7   2236.1370000             -0.001203834      
  8    926.6468000             -0.003179062      
  9    403.1743000             -0.007353828      
 10    182.3476000             -0.01389022       
 11     84.5488500             -0.01677875       
 12     38.3963400              0.004163378      
 13     18.4585900              0.06814703       
 14      8.8635480              0.1061029        
 15      3.9162270             -0.0433998        
 16      1.8388700             -0.2094950        
 17      0.8043620             -0.2310271        
 18      0.1697970              0.2590532        
 19      0.0793060              0.5691426        
S   19
  1 5045991.0000000            -3.924245E-07     
  2 755614.2000000             -3.113909E-06     
  3 171956.8000000             -1.590447E-05     
  4  48704.7900000             -6.981394E-05     
  5  15888.4100000             -0.0002417848     
  6   5735.1230000             -0.0008326195     
  7   2236.1370000             -0.002270294      
  8    926.6468000             -0.006557427      
  9    403.1743000             -0.01354288       
 10    182.3476000             -0.02989768       
 11     84.5488500             -0.02693106       
 12     38.3963400             -0.007827693      
 13     18.4585900              0.1741667        
 14      8.8635480              0.1595468        
 15      3.9162270              0.0199555        
 16      1.8388700             -0.8897000        
 17      0.8043620              0.2486892        
 18      0.1697970              1.6130120        
 19      0.0793060             -0.5990277        
S   19
  1 5045991.0000000            -7.303633E-07     
  2 755614.2000000             -5.802013E-06     
  3 171956.8000000             -2.958547E-05     
  4  48704.7900000             -0.0001301499     
  5  15888.4100000             -0.0004495332     
  6   5735.1230000             -0.001553314      
  7   2236.1370000             -0.004219884      
  8    926.6468000             -0.01225419       
  9    403.1743000             -0.02519707       
 10    182.3476000             -0.05621717       
 11     84.5488500             -0.05022229       
 12     38.3963400             -0.01677412       
 13     18.4585900              0.3388021        
 14      8.8635480              0.3984975        
 15      3.9162270             -0.3032053        
 16      1.8388700             -2.0796190        
 17      0.8043620              2.5005420        
 18      0.1697970             -0.2169002        
 19      0.0793060             -1.7091780        
S   1
  1      0.0346770              1.0000000        
S   1
  1      5.7408000              1.0000000        
S   1
  1      1.5172000              1.0000000        
P   15
  1  21027.9200000              0.0000410        
  2   4977.5600000              0.0003630        
  3   1616.7400000              0.0020970        
  4    618.6718000              0.0092500        
  5    262.5183000              0.0327960        
  6    119.6907000              0.0940040        
  7     57.4658500              0.2082800        
  8     28.5282900              0.3336540        
  9     14.5214800              0.3329040        
 10      7.4538500              0.1553720        
 11      3.7235530              0.0208590        
 12      1.8098130             -0.0024400        
 13      0.8513360             -0.0019980        
 14      0.3248140             -0.0003380        
 15      0.1195220              0.0000350        
P   15
  1  21027.9200000             -0.0000150        
  2   4977.5600000             -0.0001290        
  3   1616.7400000             -0.0007490        
  4    618.6718000             -0.0033280        
  5    262.5183000             -0.0119470        
  6    119.6907000             -0.0352420        
  7     57.4658500             -0.0812040        
  8     28.5282900             -0.1374930        
  9     14.5214800             -0.1392260        
 10      7.4538500              0.0360160        
 11      3.7235530              0.3391280        
 12      1.8098130              0.4504720        
 13      0.8513360              0.2817830        
 14      0.3248140              0.0478980        
 15      0.1195220             -0.0029870        
P   15
  1  21027.9200000              0.0000030        
  2   4977.5600000              0.0000260        
  3   1616.7400000              0.0001520        
  4    618.6718000              0.0006780        
  5    262.5183000              0.0024270        
  6    119.6907000              0.0072010        
  7     57.4658500              0.0165780        
  8     28.5282900              0.0283920        
  9     14.5214800              0.0285990        
 10      7.4538500             -0.0101320        
 11      3.7235530             -0.0829120        
 12      1.8098130             -0.1159980        
 13      0.8513360             -0.0727950        
 14      0.3248140              0.1956400        
 15      0.1195220              0.5670990        
P   15
  1  21027.9200000              0.0000060        
  2   4977.5600000              0.0000530        
  3   1616.7400000              0.0003050        
  4    618.6718000              0.0013640        
  5    262.5183000              0.0048760        
  6    119.6907000              0.0145030        
  7     57.4658500              0.0332960        
  8     28.5282900              0.0574820        
  9     14.5214800              0.0587020        
 10      7.4538500             -0.0199040        
 11      3.7235530             -0.1946950        
 12      1.8098130             -0.2396130        
 13      0.8513360             -0.0022320        
 14      0.3248140              0.5214350        
 15      0.1195220              0.5455400        
P   15
  1  21027.9200000              0.0000110        
  2   4977.5600000              0.0000950        
  3   1616.7400000              0.0005800        
  4    618.6718000              0.0024510        
  5    262.5183000              0.0092820        
  6    119.6907000              0.0260090        
  7     57.4658500              0.0640960        
  8     28.5282900              0.1007100        
  9     14.5214800              0.1325390        
 10      7.4538500             -0.0650890        
 11      3.7235530             -0.4897560        
 12      1.8098130             -0.4984550        
 13      0.8513360              0.9663570        
 14      0.3248140              0.5283790        
 15      0.1195220             -0.8676760        
P   1
  1      0.0423660              1.0000000        
P   1
  1      8.6879000              1.0000000        
P   1
  1      2.0080000              1.0000000        
D   7
  1    140.2527000              0.0033760        
  2     41.7261000              0.0251410        
  3     15.3981000              0.0977460        
  4      6.2771000              0.2347090        
  5      2.6185000              0.3469450        
  6      1.0526000              0.3510680        
  7      0.3916000              0.2502550        
D   7
  1    140.2527000             -0.0034950        
  2     41.7261000             -0.0260150        
  3     15.3981000             -0.1038760        
  4      6.2771000             -0.2520700        
  5      2.6185000             -0.2945800        
  6      1.0526000              0.0011520        
  7      0.3916000              0.4385890        
D   7
  1    140.2527000              0.0050520        
  2     41.7261000              0.0380870        
  3     15.3981000              0.1561130        
  4      6.2771000              0.3861560        
  5      2.6185000              0.1756050        
  6      1.0526000             -0.6268070        
  7      0.3916000             -0.3427750        
D   1
  1      0.1262000              1.0000000        
D   1
  1      5.7882000              1.0000000        
D   1
  1      2.7127000              1.0000000        
F   1
  1      8.0748000              1.0000000        
F   1
  1      3.1196000              1.0000000        
F   1
  1      1.1286000              1.0000000        
G   1
  1      7.3562000              1.0000000        
G   1
  1      2.9771000              1.0000000        


name: cc-pwCVTZ-NR
description: TZ2P All-electron non-relativistic Core-Valence Triple Zeta + Polarization
elt: Cu
data:
COPPER
S   19
  1 5430321.0000000             7.801026E-06     
  2 813166.5000000              6.065666E-05     
  3 185054.4000000              0.0003188964     
  4  52414.6600000              0.001344687      
  5  17098.6800000              0.00486905       
  6   6171.9940000              0.01561013       
  7   2406.4810000              0.04452077       
  8    997.2584000              0.1103111        
  9    433.9289000              0.2220342        
 10    196.2869000              0.3133739        
 11     91.0428000              0.2315121        
 12     41.3842500              0.0764092        
 13     19.9327800              0.1103818        
 14      9.5818910              0.1094372        
 15      4.2345160              0.01836311       
 16      1.9858140             -0.0006043084     
 17      0.8670830              5.092245E-05     
 18      0.1813390             -5.54073E-05      
 19      0.0836570              3.969482E-05     
S   19
  1 5430321.0000000            -4.404706E-06     
  2 813166.5000000             -3.424801E-05     
  3 185054.4000000             -0.0001801238     
  4  52414.6600000             -0.0007600455     
  5  17098.6800000             -0.002759348      
  6   6171.9940000             -0.00890097       
  7   2406.4810000             -0.02579378       
  8    997.2584000             -0.06623861       
  9    433.9289000             -0.1445927        
 10    196.2869000             -0.2440110        
 11     91.0428000             -0.2504837        
 12     41.3842500              0.02852577       
 13     19.9327800              0.5115874        
 14      9.5818910              0.4928061        
 15      4.2345160              0.08788437       
 16      1.9858140             -0.005820281      
 17      0.8670830              0.0002013508     
 18      0.1813390             -0.0005182553     
 19      0.0836570              0.0003731503     
S   19
  1 5430321.0000000             9.704682E-07     
  2 813166.5000000              7.549245E-06     
  3 185054.4000000              3.968892E-05     
  4  52414.6600000              0.00016772       
  5  17098.6800000              0.0006095101     
  6   6171.9940000              0.001978846      
  7   2406.4810000              0.005798049      
  8    997.2584000              0.01534158       
  9    433.9289000              0.03540484       
 10    196.2869000              0.06702098       
 11     91.0428000              0.08026945       
 12     41.3842500             -0.01927231       
 13     19.9327800             -0.3160129        
 14      9.5818910             -0.4573162        
 15      4.2345160              0.1550841        
 16      1.9858140              0.7202872        
 17      0.8670830              0.3885122        
 18      0.1813390              0.01924326       
 19      0.0836570             -0.007103807      
S   19
  1 5430321.0000000            -1.959354E-07     
  2 813166.5000000             -1.523472E-06     
  3 185054.4000000             -8.014808E-06     
  4  52414.6600000             -3.383992E-05     
  5  17098.6800000             -0.0001231191     
  6   6171.9940000             -0.0003992085     
  7   2406.4810000             -0.0011719        
  8    997.2584000             -0.003096141      
  9    433.9289000             -0.007171993      
 10    196.2869000             -0.01356621       
 11     91.0428000             -0.01643989       
 12     41.3842500              0.004107628      
 13     19.9327800              0.06693964       
 14      9.5818910              0.1028221        
 15      4.2345160             -0.04422945       
 16      1.9858140             -0.2031191        
 17      0.8670830             -0.2230022        
 18      0.1813390              0.2517975        
 19      0.0836570              0.5650091        
S   19
  1 5430321.0000000            -3.532229E-07     
  2 813166.5000000             -2.798812E-06     
  3 185054.4000000             -1.432517E-05     
  4  52414.6600000             -6.270946E-05     
  5  17098.6800000             -0.000217949      
  6   6171.9940000             -0.0007474316     
  7   2406.4810000             -0.002049271      
  8    997.2584000             -0.005885203      
  9    433.9289000             -0.01226885       
 10    196.2869000             -0.02683147       
 11     91.0428000             -0.02479261       
 12     41.3842500             -0.005984746      
 13     19.9327800              0.1557124        
 14      9.5818910              0.1436683        
 15      4.2345160              0.008374103      
 16      1.9858140             -0.7460711        
 17      0.8670830              0.1244367        
 18      0.1813390              1.5101100        
 19      0.0836570             -0.3477122        
S   19
  1 5430321.0000000            -7.508267E-07     
  2 813166.5000000             -5.972018E-06     
  3 185054.4000000             -3.039682E-05     
  4  52414.6600000             -0.0001340405     
  5  17098.6800000             -0.0004615778     
  6   6171.9940000             -0.001601064      
  7   2406.4810000             -0.004330942      
  8    997.2584000             -0.01265434       
  9    433.9289000             -0.02586864       
 10    196.2869000             -0.05835428       
 11     91.0428000             -0.05132322       
 12     41.3842500             -0.01908953       
 13     19.9327800              0.3586116        
 14      9.5818910              0.3885818        
 15      4.2345160             -0.3057106        
 16      1.9858140             -2.0698960        
 17      0.8670830              2.4317740        
 18      0.1813390             -0.02121974       
 19      0.0836570             -1.8202510        
S   1
  1      0.0362670              1.0000000        
S   1
  1      6.3233000              1.0000000        
S   1
  1      1.6459000              1.0000000        
P   15
  1  22760.5700000              0.0000400        
  2   5387.6790000              0.0003610        
  3   1749.9450000              0.0020830        
  4    669.6653000              0.0091970        
  5    284.1948000              0.0326600        
  6    129.6077000              0.0937950        
  7     62.2541500              0.2082740        
  8     30.9296400              0.3339930        
  9     15.7582700              0.3324930        
 10      8.0942110              0.1547280        
 11      4.0469210              0.0212710        
 12      1.9678690             -0.0016900        
 13      0.9252950             -0.0015160        
 14      0.3529920             -0.0002420        
 15      0.1273070              0.0000230        
P   15
  1  22760.5700000             -0.0000150        
  2   5387.6790000             -0.0001310        
  3   1749.9450000             -0.0007550        
  4    669.6653000             -0.0033590        
  5    284.1948000             -0.0120810        
  6    129.6077000             -0.0357030        
  7     62.2541500             -0.0825020        
  8     30.9296400             -0.1398900        
  9     15.7582700             -0.1407290        
 10      8.0942110              0.0387660        
 11      4.0469210              0.3426950        
 12      1.9678690              0.4523100        
 13      0.9252950              0.2770540        
 14      0.3529920              0.0438850        
 15      0.1273070             -0.0028020        
P   15
  1  22760.5700000              0.0000030        
  2   5387.6790000              0.0000250        
  3   1749.9450000              0.0001470        
  4    669.6653000              0.0006560        
  5    284.1948000              0.0023510        
  6    129.6077000              0.0070040        
  7     62.2541500              0.0161310        
  8     30.9296400              0.0277700        
  9     15.7582700              0.0275670        
 10      8.0942110             -0.0101150        
 11      4.0469210             -0.0810090        
 12      1.9678690             -0.1104090        
 13      0.9252950             -0.0717320        
 14      0.3529920              0.1879300        
 15      0.1273070              0.5646290        
P   15
  1  22760.5700000              0.0000050        
  2   5387.6790000              0.0000490        
  3   1749.9450000              0.0002780        
  4    669.6653000              0.0012530        
  5    284.1948000              0.0044470        
  6    129.6077000              0.0133700        
  7     62.2541500              0.0304690        
  8     30.9296400              0.0534470        
  9     15.7582700              0.0526390        
 10      8.0942110             -0.0168810        
 11      4.0469210             -0.1794480        
 12      1.9678690             -0.2095880        
 13      0.9252950             -0.0396330        
 14      0.3529920              0.5021300        
 15      0.1273070              0.5811110        
P   15
  1  22760.5700000              0.0000110        
  2   5387.6790000              0.0000960        
  3   1749.9450000              0.0005900        
  4    669.6653000              0.0024840        
  5    284.1948000              0.0094630        
  6    129.6077000              0.0264530        
  7     62.2541500              0.0656890        
  8     30.9296400              0.1027320        
  9     15.7582700              0.1370410        
 10      8.0942110             -0.0709610        
 11      4.0469210             -0.5047080        
 12      1.9678690             -0.4780560        
 13      0.9252950              0.9428920        
 14      0.3529920              0.5446990        
 15      0.1273070             -0.8327660        
P   1
  1      0.0443560              1.0000000        
P   1
  1      9.6845000              1.0000000        
P   1
  1      2.2065000              1.0000000        
D   7
  1    173.8970000              0.0027000        
  2     51.8869000              0.0209090        
  3     19.3419000              0.0844080        
  4      7.9757200              0.2139990        
  5      3.3982300              0.3359800        
  6      1.4093200              0.3573010        
  7      0.5488580              0.2645780        
D   7
  1    173.8970000             -0.0033630        
  2     51.8869000             -0.0260790        
  3     19.3419000             -0.1082310        
  4      7.9757200             -0.2822170        
  5      3.3982300             -0.3471900        
  6      1.4093200              0.0267110        
  7      0.5488580              0.4920470        
D   7
  1    173.8970000              0.0041330        
  2     51.8869000              0.0330850        
  3     19.3419000              0.1383360        
  4      7.9757200              0.3901660        
  5      3.3982300              0.1698420        
  6      1.4093200             -0.6830180        
  7      0.5488580             -0.2657970        
D   1
  1      0.1901990              1.0000000        
D   1
  1      6.9242000              1.0000000        
D   1
  1      3.3410000              1.0000000        
F   1
  1      9.2215000              1.0000000        
F   1
  1      3.5468000              1.0000000        
F   1
  1      1.2797000              1.0000000        
G   1
  1      8.3127000              1.0000000        
G   1
  1      3.4835000              1.0000000        


name: cc-pwCVTZ-NR
description: TZ2P All-electron non-relativistic Core-Valence Triple Zeta + Polarization
elt: Zn
data:
ZINC
S   19
  1 5820021.0000000             8.549241E-06     
  2 871523.4000000              6.64741E-05      
  3 198335.0000000              0.0003494962     
  4  56176.3100000              0.001473832      
  5  18325.8200000              0.00533833       
  6   6614.9550000              0.01712708       
  7   2579.1990000              0.04894085       
  8   1068.8490000              0.1217934        
  9    465.1045000              0.2476589        
 10    210.4130000              0.3582431        
 11     97.6162900              0.2798174        
 12     44.3802000              0.06857491       
 13     21.4230800             -0.001311092      
 14     10.3089100              0.001914001      
 15      4.5536450             -0.000875922      
 16      2.1328210              0.0003740096     
 17      0.9296970             -0.0001401399     
 18      0.1921470              4.757132E-05     
 19      0.0875950             -3.642711E-05     
S   19
  1 5820021.0000000            -2.640069E-06     
  2 871523.4000000             -2.05272E-05      
  3 198335.0000000             -0.0001079859     
  4  56176.3100000             -0.0004558577     
  5  18325.8200000             -0.001657758      
  6   6614.9550000             -0.005368492      
  7   2579.1990000             -0.01571249       
  8   1068.8490000             -0.04122558       
  9    465.1045000             -0.09406459       
 10    210.4130000             -0.1719954        
 11     97.6162900             -0.1958523        
 12     44.3802000              0.04532907       
 13     21.4230800              0.5244442        
 14     10.3089100              0.5006142        
 15      4.5536450              0.08945527       
 16      2.1328210             -0.002146262      
 17      0.9296970              0.002112113      
 18      0.1921470             -0.000413398      
 19      0.0875950              0.0003209752     
S   19
  1 5820021.0000000             9.967103E-07     
  2 871523.4000000              7.754163E-06     
  3 198335.0000000              4.076019E-05     
  4  56176.3100000              0.0001722811     
  5  18325.8200000              0.000625937      
  6   6614.9550000              0.002032855      
  7   2579.1990000              0.005954646      
  8   1068.8490000              0.0157664        
  9    465.1045000              0.03637638       
 10    210.4130000              0.06892343       
 11     97.6162900              0.08238093       
 12     44.3802000             -0.0201136        
 13     21.4230800             -0.3252526        
 14     10.3089100             -0.4602899        
 15      4.5536450              0.1635546        
 16      2.1328210              0.7297118        
 17      0.9296970              0.3769751        
 18      0.1921470              0.01433224       
 19      0.0875950             -0.00667121       
S   19
  1 5820021.0000000             1.995818E-07     
  2 871523.4000000              1.552973E-06     
  3 198335.0000000              8.161259E-06     
  4  56176.3100000              3.450747E-05     
  5  18325.8200000              0.0001253275     
  6   6614.9550000              0.000407299      
  7   2579.1990000              0.001192734      
  8   1068.8490000              0.00316314       
  9    465.1045000              0.007303942      
 10    210.4130000              0.01391279       
 11     97.6162900              0.0167062        
 12     44.3802000             -0.004035586      
 13     21.4230800             -0.06968861       
 14     10.3089100             -0.1030105        
 15      4.5536450              0.04471442       
 16      2.1328210              0.2150027        
 17      0.9296970              0.2220163        
 18      0.1921470             -0.3114776        
 19      0.0875950             -0.5693429        
S   19
  1 5820021.0000000            -5.43591E-07      
  2 871523.4000000             -4.336894E-06     
  3 198335.0000000             -2.197572E-05     
  4  56176.3100000             -9.747392E-05     
  5  18325.8200000             -0.0003331615     
  6   6614.9550000             -0.001166192      
  7   2579.1990000             -0.003119308      
  8   1068.8490000             -0.009239504      
  9    465.1045000             -0.01855471       
 10    210.4130000             -0.04281189       
 11     97.6162900             -0.03571095       
 12     44.3802000             -0.0163835        
 13     21.4230800              0.2644664        
 14     10.3089100              0.2086588        
 15      4.5536450             -0.01774382       
 16      2.1328210             -1.3538730        
 17      0.9296970              0.8182926        
 18      0.1921470              1.6950360        
 19      0.0875950             -1.3886560        
S   19
  1 5820021.0000000             8.040791E-07     
  2 871523.4000000              6.282936E-06     
  3 198335.0000000              3.281868E-05     
  4  56176.3100000              0.0001398858     
  5  18325.8200000              0.0005029836     
  6   6614.9550000              0.001655419      
  7   2579.1990000              0.004778677      
  8   1068.8490000              0.01292479       
  9    465.1045000              0.02925831       
 10    210.4130000              0.05791816       
 11     97.6162900              0.06640681       
 12     44.3802000             -0.007388966      
 13     21.4230800             -0.3329989        
 14     10.3089100             -0.5917865        
 15      4.5536450              0.9011406        
 16      2.1328210              1.5859510        
 17      0.9296970             -2.7880080        
 18      0.1921470              2.0718840        
 19      0.0875950             -0.6012025        
S   1
  1      0.0377020              1.0000000        
S   1
  1      7.0381000              1.0000000        
S   1
  1      1.8099000              1.0000000        
P   15
  1  24411.9800000              0.0000410        
  2   5778.5180000              0.0003610        
  3   1876.8620000              0.0020880        
  4    718.2361000              0.0092210        
  5    304.8327000              0.0327730        
  6    139.0453000              0.0941790        
  7     66.8041700              0.2091320        
  8     33.2069900              0.3345690        
  9     16.9281600              0.3303590        
 10      8.6962290              0.1523470        
 11      4.3505100              0.0229840        
 12      2.1165230              0.0016070        
 13      0.9953870              0.0004680        
 14      0.3781120              0.0000660        
 15      0.1345790             -0.0000020        
P   15
  1  24411.9800000             -0.0000150        
  2   5778.5180000             -0.0001350        
  3   1876.8620000             -0.0007820        
  4    718.2361000             -0.0034780        
  5    304.8327000             -0.0125200        
  6    139.0453000             -0.0370160        
  7     66.8041700             -0.0855590        
  8     33.2069900             -0.1447180        
  9     16.9281600             -0.1434420        
 10      8.6962290              0.0435950        
 11      4.3505100              0.3488880        
 12      2.1165230              0.4538650        
 13      0.9953870              0.2685940        
 14      0.3781120              0.0388680        
 15      0.1345790             -0.0024920        
P   15
  1  24411.9800000              0.0000030        
  2   5778.5180000              0.0000250        
  3   1876.8620000              0.0001440        
  4    718.2361000              0.0006450        
  5    304.8327000              0.0023110        
  6    139.0453000              0.0068980        
  7     66.8041700              0.0158820        
  8     33.2069900              0.0273500        
  9     16.9281600              0.0266210        
 10      8.6962290             -0.0108580        
 11      4.3505100             -0.0798530        
 12      2.1165230             -0.1061270        
 13      0.9953870             -0.0688830        
 14      0.3781120              0.1843850        
 15      0.1345790              0.5617880        
P   15
  1  24411.9800000              0.0000050        
  2   5778.5180000              0.0000420        
  3   1876.8620000              0.0002380        
  4    718.2361000              0.0010880        
  5    304.8327000              0.0038210        
  6    139.0453000              0.0116440        
  7     66.8041700              0.0261670        
  8     33.2069900              0.0467500        
  9     16.9281600              0.0433090        
 10      8.6962290             -0.0134290        
 11      4.3505100             -0.1538970        
 12      2.1165230             -0.1674130        
 13      0.9953870             -0.0849950        
 14      0.3781120              0.4508130        
 15      0.1345790              0.6408690        
P   15
  1  24411.9800000              0.0000120        
  2   5778.5180000              0.0000960        
  3   1876.8620000              0.0005940        
  4    718.2361000              0.0024840        
  5    304.8327000              0.0095370        
  6    139.0453000              0.0264790        
  7     66.8041700              0.0663660        
  8     33.2069900              0.1024580        
  9     16.9281600              0.1386830        
 10      8.6962290             -0.0801400        
 11      4.3505100             -0.4960690        
 12      2.1165230             -0.4635100        
 13      0.9953870              0.8745310        
 14      0.3781120              0.6297900        
 15      0.1345790             -0.8116860        
P   1
  1      0.0462820              1.0000000        
P   1
  1     10.1501000              1.0000000        
P   1
  1      2.3451000              1.0000000        
D   7
  1    205.6177000              0.0023420        
  2     61.4498100              0.0186060        
  3     23.0568900              0.0771020        
  4      9.5777390              0.2020260        
  5      4.1337340              0.3294540        
  6      1.7475180              0.3609760        
  7      0.6995600              0.2716570        
D   7
  1    205.6177000              0.0032790        
  2     61.4498100              0.0261760        
  3     23.0568900              0.1113670        
  4      9.5777390              0.3045810        
  5      4.1337340              0.3862990        
  6      1.7475180             -0.0583750        
  7      0.6995600             -0.5388760        
D   7
  1    205.6177000              0.0037400        
  2     61.4498100              0.0318250        
  3     23.0568900              0.1322290        
  4      9.5777390              0.4245500        
  5      4.1337340              0.1203700        
  6      1.7475180             -0.7626610        
  7      0.6995600             -0.1128230        
D   1
  1      0.2516080              1.0000000        
D   1
  1      7.7440000              1.0000000        
D   1
  1      3.9663000              1.0000000        
F   1
  1     10.3270000              1.0000000        
F   1
  1      4.0202000              1.0000000        
F   1
  1      1.4851000              1.0000000        
G   1
  1      9.2538000              1.0000000        
G   1
  1      4.1144000              1.0000000        


name: cc-pwCVTZ-NR MP2 Fitting
description: MP2 auxiliary basis for use with cc-pwCVTZ-NR AO basis set
elt: Sc
data:
SCANDIUM
S   1
  1   1036.8900000              1.0000000        
S   1
  1    275.2400000              1.0000000        
S   1
  1     58.6075000              1.0000000        
S   1
  1     21.6186000              1.0000000        
S   1
  1      9.9738200              1.0000000        
S   1
  1      5.4133400              1.0000000        
S   1
  1      3.5959600              1.0000000        
S   1
  1      1.9587800              1.0000000        
S   1
  1      1.1584700              1.0000000        
S   1
  1      0.7384940              1.0000000        
S   1
  1      0.3894700              1.0000000        
S   1
  1      0.1793640              1.0000000        
S   1
  1      0.1187220              1.0000000        
S   1
  1      0.0532780              1.0000000        
P   1
  1    330.1580000              1.0000000        
P   1
  1    141.9820000              1.0000000        
P   1
  1     28.5293000              1.0000000        
P   1
  1     10.8485000              1.0000000        
P   1
  1      4.9266800              1.0000000        
P   1
  1      3.6306900              1.0000000        
P   1
  1      2.0529500              1.0000000        
P   1
  1      1.1596200              1.0000000        
P   1
  1      0.7634350              1.0000000        
P   1
  1      0.4498140              1.0000000        
P   1
  1      0.2226270              1.0000000        
P   1
  1      0.1144380              1.0000000        
P   1
  1      0.0555570              1.0000000        
D   1
  1    121.2190000              1.0000000        
D   1
  1     39.0886000              1.0000000        
D   1
  1     14.0455000              1.0000000        
D   1
  1      4.8873600              1.0000000        
D   1
  1      3.0326300              1.0000000        
D   1
  1      1.5703100              1.0000000        
D   1
  1      0.9380280              1.0000000        
D   1
  1      0.4772000              1.0000000        
D   1
  1      0.2780500              1.0000000        
D   1
  1      0.1445530              1.0000000        
D   1
  1      0.0704360              1.0000000        
F   1
  1     55.8426000              1.0000000        
F   1
  1     20.8336000              1.0000000        
F   1
  1      6.3731500              1.0000000        
F   1
  1      3.6625600              1.0000000        
F   1
  1      2.2547800              1.0000000        
F   1
  1      1.3044700              1.0000000        
F   1
  1      0.6999980              1.0000000        
F   1
  1      0.2764050              1.0000000        
F   1
  1      0.1745020              1.0000000        
F   1
  1      0.0682130              1.0000000        
G   1
  1     23.9477000              1.0000000        
G   1
  1      8.0950300              1.0000000        
G   1
  1      3.4549100              1.0000000        
G   1
  1      2.2812400              1.0000000        
G   1
  1      1.1767800              1.0000000        
G   1
  1      0.5353400              1.0000000        
G   1
  1      0.2364920              1.0000000        
G   1
  1      0.0957270              1.0000000        
H   1
  1      8.3036100              1.0000000        
H   1
  1      3.1291300              1.0000000        
H   1
  1      1.9317700              1.0000000        
H   1
  1      0.9116090              1.0000000        
H   1
  1      0.3150020              1.0000000        
I   1
  1      3.2538600              1.0000000        
I   1
  1      1.7791900              1.0000000        
I   1
  1      0.6699880              1.0000000        


name: cc-pwCVTZ-NR MP2 Fitting
description: MP2 auxiliary basis for use with cc-pwCVTZ-NR AO basis set
elt: Ti
data:
TITANIUM
S   1
  1   1064.5700000              1.0000000        
S   1
  1    298.7350000              1.0000000        
S   1
  1     64.5904000              1.0000000        
S   1
  1     25.6388000              1.0000000        
S   1
  1     12.9989000              1.0000000        
S   1
  1      6.9273900              1.0000000        
S   1
  1      4.4499900              1.0000000        
S   1
  1      2.2625900              1.0000000        
S   1
  1      1.4217400              1.0000000        
S   1
  1      0.8308160              1.0000000        
S   1
  1      0.4559850              1.0000000        
S   1
  1      0.1783770              1.0000000        
S   1
  1      0.0938300              1.0000000        
S   1
  1      0.0476510              1.0000000        
P   1
  1    364.0400000              1.0000000        
P   1
  1    169.1080000              1.0000000        
P   1
  1     31.6805000              1.0000000        
P   1
  1     12.2938000              1.0000000        
P   1
  1      5.7126900              1.0000000        
P   1
  1      4.0537100              1.0000000        
P   1
  1      2.4691800              1.0000000        
P   1
  1      1.3801300              1.0000000        
P   1
  1      0.8143460              1.0000000        
P   1
  1      0.5050200              1.0000000        
P   1
  1      0.2650920              1.0000000        
P   1
  1      0.1231430              1.0000000        
P   1
  1      0.0628120              1.0000000        
D   1
  1    133.4450000              1.0000000        
D   1
  1     43.0733000              1.0000000        
D   1
  1     16.6387000              1.0000000        
D   1
  1      5.3431700              1.0000000        
D   1
  1      3.9810100              1.0000000        
D   1
  1      1.7755600              1.0000000        
D   1
  1      1.1883100              1.0000000        
D   1
  1      0.6077640              1.0000000        
D   1
  1      0.3295440              1.0000000        
D   1
  1      0.1906010              1.0000000        
D   1
  1      0.0903010              1.0000000        
F   1
  1     64.4661000              1.0000000        
F   1
  1     24.3005000              1.0000000        
F   1
  1      7.6906100              1.0000000        
F   1
  1      4.4672100              1.0000000        
F   1
  1      2.7699000              1.0000000        
F   1
  1      1.5309900              1.0000000        
F   1
  1      0.8987410              1.0000000        
F   1
  1      0.3646230              1.0000000        
F   1
  1      0.1903700              1.0000000        
F   1
  1      0.0886070              1.0000000        
G   1
  1     27.5880000              1.0000000        
G   1
  1     10.3038000              1.0000000        
G   1
  1      4.5871100              1.0000000        
G   1
  1      3.1285400              1.0000000        
G   1
  1      1.5922100              1.0000000        
G   1
  1      0.7910300              1.0000000        
G   1
  1      0.3237700              1.0000000        
G   1
  1      0.1314440              1.0000000        
H   1
  1      9.5870600              1.0000000        
H   1
  1      4.1561400              1.0000000        
H   1
  1      2.5509900              1.0000000        
H   1
  1      1.3461200              1.0000000        
H   1
  1      0.5089480              1.0000000        
I   1
  1      4.6407100              1.0000000        
I   1
  1      2.6451200              1.0000000        
I   1
  1      1.1218700              1.0000000        


name: cc-pwCVTZ-NR MP2 Fitting
description: MP2 auxiliary basis for use with cc-pwCVTZ-NR AO basis set
elt: V
data:
VANADIUM
S   1
  1   1101.0500000              1.0000000        
S   1
  1    327.7140000              1.0000000        
S   1
  1     69.7326000              1.0000000        
S   1
  1     28.9489000              1.0000000        
S   1
  1     15.6256000              1.0000000        
S   1
  1      8.1206300              1.0000000        
S   1
  1      5.1041400              1.0000000        
S   1
  1      2.7338700              1.0000000        
S   1
  1      1.4886400              1.0000000        
S   1
  1      0.8604160              1.0000000        
S   1
  1      0.5745920              1.0000000        
S   1
  1      0.2365140              1.0000000        
S   1
  1      0.0998440              1.0000000        
S   1
  1      0.0538030              1.0000000        
P   1
  1    398.4930000              1.0000000        
P   1
  1    182.4620000              1.0000000        
P   1
  1     34.9009000              1.0000000        
P   1
  1     15.5829000              1.0000000        
P   1
  1      7.5128500              1.0000000        
P   1
  1      5.2144300              1.0000000        
P   1
  1      2.9930400              1.0000000        
P   1
  1      1.6716300              1.0000000        
P   1
  1      0.9286610              1.0000000        
P   1
  1      0.5728270              1.0000000        
P   1
  1      0.2943240              1.0000000        
P   1
  1      0.1340940              1.0000000        
P   1
  1      0.0686050              1.0000000        
D   1
  1    147.6380000              1.0000000        
D   1
  1     47.6840000              1.0000000        
D   1
  1     18.9642000              1.0000000        
D   1
  1      7.4914600              1.0000000        
D   1
  1      5.4277800              1.0000000        
D   1
  1      3.3770600              1.0000000        
D   1
  1      1.7124000              1.0000000        
D   1
  1      1.0325000              1.0000000        
D   1
  1      0.5191570              1.0000000        
D   1
  1      0.2731750              1.0000000        
D   1
  1      0.1115980              1.0000000        
F   1
  1     72.9421000              1.0000000        
F   1
  1     28.2184000              1.0000000        
F   1
  1      9.0459700              1.0000000        
F   1
  1      5.3794400              1.0000000        
F   1
  1      3.3720800              1.0000000        
F   1
  1      1.9494200              1.0000000        
F   1
  1      1.0037000              1.0000000        
F   1
  1      0.4900450              1.0000000        
F   1
  1      0.2185980              1.0000000        
F   1
  1      0.1244040              1.0000000        
G   1
  1     30.1691000              1.0000000        
G   1
  1     11.8486000              1.0000000        
G   1
  1      5.5709000              1.0000000        
G   1
  1      3.9565400              1.0000000        
G   1
  1      2.0029300              1.0000000        
G   1
  1      1.0293600              1.0000000        
G   1
  1      0.4204920              1.0000000        
G   1
  1      0.1725400              1.0000000        
H   1
  1     11.9159000              1.0000000        
H   1
  1      5.4267100              1.0000000        
H   1
  1      3.3450900              1.0000000        
H   1
  1      1.8933600              1.0000000        
H   1
  1      0.7233070              1.0000000        
I   1
  1      6.4761800              1.0000000        
I   1
  1      3.8355600              1.0000000        
I   1
  1      1.7134400              1.0000000        


name: cc-pwCVTZ-NR MP2 Fitting
description: MP2 auxiliary basis for use with cc-pwCVTZ-NR AO basis set
elt: Cr
data:
CHROMIUM
S   1
  1   1125.3900000              1.0000000        
S   1
  1    341.1700000              1.0000000        
S   1
  1     73.9951000              1.0000000        
S   1
  1     31.2459000              1.0000000        
S   1
  1     18.9340000              1.0000000        
S   1
  1      9.2567200              1.0000000        
S   1
  1      6.4257500              1.0000000        
S   1
  1      3.3809900              1.0000000        
S   1
  1      1.7489800              1.0000000        
S   1
  1      0.9845340              1.0000000        
S   1
  1      0.7580850              1.0000000        
S   1
  1      0.3372390              1.0000000        
S   1
  1      0.1285630              1.0000000        
S   1
  1      0.0757950              1.0000000        
P   1
  1    421.3640000              1.0000000        
P   1
  1    189.3440000              1.0000000        
P   1
  1     39.4212000              1.0000000        
P   1
  1     18.5562000              1.0000000        
P   1
  1      9.1774000              1.0000000        
P   1
  1      7.2380600              1.0000000        
P   1
  1      3.8938400              1.0000000        
P   1
  1      1.9168500              1.0000000        
P   1
  1      1.2801700              1.0000000        
P   1
  1      0.6627660              1.0000000        
P   1
  1      0.3312800              1.0000000        
P   1
  1      0.1516770              1.0000000        
P   1
  1      0.0735720              1.0000000        
D   1
  1    161.5210000              1.0000000        
D   1
  1     50.5342000              1.0000000        
D   1
  1     22.2636000              1.0000000        
D   1
  1      9.6000400              1.0000000        
D   1
  1      6.7649200              1.0000000        
D   1
  1      4.1361000              1.0000000        
D   1
  1      2.1176300              1.0000000        
D   1
  1      1.2032700              1.0000000        
D   1
  1      0.7103800              1.0000000        
D   1
  1      0.3154990              1.0000000        
D   1
  1      0.1268340              1.0000000        
F   1
  1     80.4841000              1.0000000        
F   1
  1     30.8651000              1.0000000        
F   1
  1     10.8536000              1.0000000        
F   1
  1      5.8361500              1.0000000        
F   1
  1      3.9815500              1.0000000        
F   1
  1      2.2107200              1.0000000        
F   1
  1      1.1322400              1.0000000        
F   1
  1      0.5890060              1.0000000        
F   1
  1      0.2830220              1.0000000        
F   1
  1      0.1621130              1.0000000        
G   1
  1     31.5558000              1.0000000        
G   1
  1     13.1525000              1.0000000        
G   1
  1      6.1904900              1.0000000        
G   1
  1      4.2909900              1.0000000        
G   1
  1      2.3321700              1.0000000        
G   1
  1      1.1946800              1.0000000        
G   1
  1      0.4927830              1.0000000        
G   1
  1      0.2033920              1.0000000        
H   1
  1     14.3240000              1.0000000        
H   1
  1      6.4311900              1.0000000        
H   1
  1      3.9082600              1.0000000        
H   1
  1      2.3062400              1.0000000        
H   1
  1      0.9207890              1.0000000        
I   1
  1      8.0012500              1.0000000        
I   1
  1      4.7764000              1.0000000        
I   1
  1      2.1712800              1.0000000        


name: cc-pwCVTZ-NR MP2 Fitting
description: MP2 auxiliary basis for use with cc-pwCVTZ-NR AO basis set
elt: Mn
data:
MANGANESE
S   1
  1   1143.0700000              1.0000000        
S   1
  1    373.8420000              1.0000000        
S   1
  1     92.2868000              1.0000000        
S   1
  1     36.6154000              1.0000000        
S   1
  1     18.1630000              1.0000000        
S   1
  1      9.0067200              1.0000000        
S   1
  1      6.0525600              1.0000000        
S   1
  1      3.6885800              1.0000000        
S   1
  1      1.9614700              1.0000000        
S   1
  1      0.9585330              1.0000000        
S   1
  1      0.5837740              1.0000000        
S   1
  1      0.2808420              1.0000000        
S   1
  1      0.1002030              1.0000000        
S   1
  1      0.0744980              1.0000000        
P   1
  1    454.6250000              1.0000000        
P   1
  1    191.1790000              1.0000000        
P   1
  1     41.5318000              1.0000000        
P   1
  1     17.9244000              1.0000000        
P   1
  1      8.0351700              1.0000000        
P   1
  1      5.2966400              1.0000000        
P   1
  1      2.9480700              1.0000000        
P   1
  1      2.1203200              1.0000000        
P   1
  1      1.0710200              1.0000000        
P   1
  1      0.6318110              1.0000000        
P   1
  1      0.3424500              1.0000000        
P   1
  1      0.1502490              1.0000000        
P   1
  1      0.0763290              1.0000000        
D   1
  1    182.3240000              1.0000000        
D   1
  1     59.6788000              1.0000000        
D   1
  1     23.8077000              1.0000000        
D   1
  1      9.7208600              1.0000000        
D   1
  1      6.7542100              1.0000000        
D   1
  1      4.0975400              1.0000000        
D   1
  1      2.3045800              1.0000000        
D   1
  1      1.2981100              1.0000000        
D   1
  1      0.6840790              1.0000000        
D   1
  1      0.3604120              1.0000000        
D   1
  1      0.1404960              1.0000000        
F   1
  1     87.0403000              1.0000000        
F   1
  1     33.4376000              1.0000000        
F   1
  1     12.6190000              1.0000000        
F   1
  1      6.6804600              1.0000000        
F   1
  1      4.6004600              1.0000000        
F   1
  1      2.6168500              1.0000000        
F   1
  1      1.2509000              1.0000000        
F   1
  1      0.6872260              1.0000000        
F   1
  1      0.3086030              1.0000000        
F   1
  1      0.1807920              1.0000000        
G   1
  1     35.0512000              1.0000000        
G   1
  1     14.2780000              1.0000000        
G   1
  1      7.2511900              1.0000000        
G   1
  1      4.8678800              1.0000000        
G   1
  1      2.6996400              1.0000000        
G   1
  1      1.3859400              1.0000000        
G   1
  1      0.5702460              1.0000000        
G   1
  1      0.2332950              1.0000000        
H   1
  1     16.9057000              1.0000000        
H   1
  1      7.5978300              1.0000000        
H   1
  1      4.7089800              1.0000000        
H   1
  1      2.7502900              1.0000000        
H   1
  1      1.1237300              1.0000000        
I   1
  1      9.4166400              1.0000000        
I   1
  1      5.6573200              1.0000000        
I   1
  1      2.6005700              1.0000000        


name: cc-pwCVTZ-NR MP2 Fitting
description: MP2 auxiliary basis for use with cc-pwCVTZ-NR AO basis set
elt: Fe
data:
IRON
S   1
  1   1162.5200000              1.0000000        
S   1
  1    392.8590000              1.0000000        
S   1
  1     97.8756000              1.0000000        
S   1
  1     40.8896000              1.0000000        
S   1
  1     20.1561000              1.0000000        
S   1
  1      9.8411300              1.0000000        
S   1
  1      6.7640000              1.0000000        
S   1
  1      4.1773700              1.0000000        
S   1
  1      2.2597600              1.0000000        
S   1
  1      1.0114500              1.0000000        
S   1
  1      0.6516340              1.0000000        
S   1
  1      0.3066400              1.0000000        
S   1
  1      0.1083000              1.0000000        
S   1
  1      0.0768430              1.0000000        
P   1
  1    484.1030000              1.0000000        
P   1
  1    197.3850000              1.0000000        
P   1
  1     46.2382000              1.0000000        
P   1
  1     19.3602000              1.0000000        
P   1
  1      9.3229000              1.0000000        
P   1
  1      5.9550400              1.0000000        
P   1
  1      3.3416900              1.0000000        
P   1
  1      2.3873000              1.0000000        
P   1
  1      1.1676300              1.0000000        
P   1
  1      0.7023270              1.0000000        
P   1
  1      0.3770810              1.0000000        
P   1
  1      0.1609300              1.0000000        
P   1
  1      0.0798700              1.0000000        
D   1
  1    197.6480000              1.0000000        
D   1
  1     63.7982000              1.0000000        
D   1
  1     26.5184000              1.0000000        
D   1
  1     11.0437000              1.0000000        
D   1
  1      7.6491400              1.0000000        
D   1
  1      4.7009900              1.0000000        
D   1
  1      2.6356800              1.0000000        
D   1
  1      1.4520100              1.0000000        
D   1
  1      0.7560870              1.0000000        
D   1
  1      0.4086130              1.0000000        
D   1
  1      0.1553820              1.0000000        
F   1
  1     92.6176000              1.0000000        
F   1
  1     34.8064000              1.0000000        
F   1
  1     14.2645000              1.0000000        
F   1
  1      7.4756200              1.0000000        
F   1
  1      5.0449400              1.0000000        
F   1
  1      3.0043900              1.0000000        
F   1
  1      1.3978500              1.0000000        
F   1
  1      0.7767810              1.0000000        
F   1
  1      0.3602700              1.0000000        
F   1
  1      0.2074990              1.0000000        
G   1
  1     38.4081000              1.0000000        
G   1
  1     16.2761000              1.0000000        
G   1
  1      8.1378500              1.0000000        
G   1
  1      5.4292400              1.0000000        
G   1
  1      3.0857400              1.0000000        
G   1
  1      1.5873800              1.0000000        
G   1
  1      0.6553410              1.0000000        
G   1
  1      0.2657610              1.0000000        
H   1
  1     18.6526000              1.0000000        
H   1
  1      8.6184000              1.0000000        
H   1
  1      5.2031200              1.0000000        
H   1
  1      3.1948800              1.0000000        
H   1
  1      1.3374100              1.0000000        
I   1
  1     11.0514000              1.0000000        
I   1
  1      6.6532300              1.0000000        
I   1
  1      3.1095200              1.0000000        


name: cc-pwCVTZ-NR MP2 Fitting
description: MP2 auxiliary basis for use with cc-pwCVTZ-NR AO basis set
elt: Co
data:
COBALT
S   1
  1   1221.2000000              1.0000000        
S   1
  1    413.5830000              1.0000000        
S   1
  1    103.0250000              1.0000000        
S   1
  1     44.0246000              1.0000000        
S   1
  1     22.4099000              1.0000000        
S   1
  1     11.1922000              1.0000000        
S   1
  1      7.1513900              1.0000000        
S   1
  1      4.7273900              1.0000000        
S   1
  1      2.4747400              1.0000000        
S   1
  1      1.1869800              1.0000000        
S   1
  1      0.7510820              1.0000000        
S   1
  1      0.4285470              1.0000000        
S   1
  1      0.1655330              1.0000000        
S   1
  1      0.0840080              1.0000000        
P   1
  1    505.9170000              1.0000000        
P   1
  1    206.3270000              1.0000000        
P   1
  1     50.3399000              1.0000000        
P   1
  1     21.7107000              1.0000000        
P   1
  1     10.1455000              1.0000000        
P   1
  1      6.6749500              1.0000000        
P   1
  1      3.5499100              1.0000000        
P   1
  1      2.5909400              1.0000000        
P   1
  1      1.2886800              1.0000000        
P   1
  1      0.7577670              1.0000000        
P   1
  1      0.4035550              1.0000000        
P   1
  1      0.1737070              1.0000000        
P   1
  1      0.0840320              1.0000000        
D   1
  1    212.8350000              1.0000000        
D   1
  1     67.7868000              1.0000000        
D   1
  1     29.4727000              1.0000000        
D   1
  1     12.2323000              1.0000000        
D   1
  1      7.9995300              1.0000000        
D   1
  1      5.1447200              1.0000000        
D   1
  1      2.8446700              1.0000000        
D   1
  1      1.5824400              1.0000000        
D   1
  1      0.7951240              1.0000000        
D   1
  1      0.4547420              1.0000000        
D   1
  1      0.1706840              1.0000000        
F   1
  1    100.2670000              1.0000000        
F   1
  1     37.3788000              1.0000000        
F   1
  1     16.3676000              1.0000000        
F   1
  1      8.4308100              1.0000000        
F   1
  1      5.6201400              1.0000000        
F   1
  1      3.4554700              1.0000000        
F   1
  1      1.5373400              1.0000000        
F   1
  1      0.8739740              1.0000000        
F   1
  1      0.4233570              1.0000000        
F   1
  1      0.2381660              1.0000000        
G   1
  1     41.9708000              1.0000000        
G   1
  1     18.4579000              1.0000000        
G   1
  1      9.1726900              1.0000000        
G   1
  1      6.0910100              1.0000000        
G   1
  1      3.4987500              1.0000000        
G   1
  1      1.7861200              1.0000000        
G   1
  1      0.7378400              1.0000000        
G   1
  1      0.2940620              1.0000000        
H   1
  1     20.1744000              1.0000000        
H   1
  1      9.6808100              1.0000000        
H   1
  1      5.6729700              1.0000000        
H   1
  1      3.6258600              1.0000000        
H   1
  1      1.5488200              1.0000000        
I   1
  1     12.7228000              1.0000000        
I   1
  1      7.6524500              1.0000000        
I   1
  1      3.6511500              1.0000000        


name: cc-pwCVTZ-NR MP2 Fitting
description: MP2 auxiliary basis for use with cc-pwCVTZ-NR AO basis set
elt: Ni
data:
NICKEL
S   1
  1   1284.8600000              1.0000000        
S   1
  1    439.8190000              1.0000000        
S   1
  1    118.9970000              1.0000000        
S   1
  1     49.0085000              1.0000000        
S   1
  1     27.3644000              1.0000000        
S   1
  1     13.2264000              1.0000000        
S   1
  1      8.3403500              1.0000000        
S   1
  1      5.1889500              1.0000000        
S   1
  1      2.8876600              1.0000000        
S   1
  1      1.3719900              1.0000000        
S   1
  1      0.9095710              1.0000000        
S   1
  1      0.4996590              1.0000000        
S   1
  1      0.1972460              1.0000000        
S   1
  1      0.0997440              1.0000000        
P   1
  1    552.4620000              1.0000000        
P   1
  1    224.3180000              1.0000000        
P   1
  1     53.6480000              1.0000000        
P   1
  1     24.0406000              1.0000000        
P   1
  1     11.3638000              1.0000000        
P   1
  1      7.1445000              1.0000000        
P   1
  1      3.8365600              1.0000000        
P   1
  1      2.7898000              1.0000000        
P   1
  1      1.4686000              1.0000000        
P   1
  1      0.9395960              1.0000000        
P   1
  1      0.4939020              1.0000000        
P   1
  1      0.2316050              1.0000000        
P   1
  1      0.1063780              1.0000000        
D   1
  1    228.6190000              1.0000000        
D   1
  1     72.2969000              1.0000000        
D   1
  1     31.8533000              1.0000000        
D   1
  1     13.7608000              1.0000000        
D   1
  1      8.5366600              1.0000000        
D   1
  1      5.0627600              1.0000000        
D   1
  1      3.2726400              1.0000000        
D   1
  1      1.6779500              1.0000000        
D   1
  1      0.9612580              1.0000000        
D   1
  1      0.4931160              1.0000000        
D   1
  1      0.1896770              1.0000000        
F   1
  1    105.9140000              1.0000000        
F   1
  1     40.4566000              1.0000000        
F   1
  1     17.5625000              1.0000000        
F   1
  1      9.4201300              1.0000000        
F   1
  1      6.0222800              1.0000000        
F   1
  1      3.7587100              1.0000000        
F   1
  1      1.8786800              1.0000000        
F   1
  1      1.1993100              1.0000000        
F   1
  1      0.6341810              1.0000000        
F   1
  1      0.2986710              1.0000000        
G   1
  1     46.1173000              1.0000000        
G   1
  1     19.7261000              1.0000000        
G   1
  1     10.3572000              1.0000000        
G   1
  1      6.6039000              1.0000000        
G   1
  1      3.9796700              1.0000000        
G   1
  1      2.0235800              1.0000000        
G   1
  1      0.8451690              1.0000000        
G   1
  1      0.3435000              1.0000000        
H   1
  1     22.1863000              1.0000000        
H   1
  1     11.0728000              1.0000000        
H   1
  1      6.7444300              1.0000000        
H   1
  1      4.3160700              1.0000000        
H   1
  1      1.8712600              1.0000000        
I   1
  1     14.9241000              1.0000000        
I   1
  1      9.0074600              1.0000000        
I   1
  1      4.3778900              1.0000000        


name: cc-pwCVTZ-NR MP2 Fitting
description: MP2 auxiliary basis for use with cc-pwCVTZ-NR AO basis set
elt: Cu
data:
COPPER
S   1
  1   1311.3600000              1.0000000        
S   1
  1    462.6680000              1.0000000        
S   1
  1    131.6130000              1.0000000        
S   1
  1     60.8884000              1.0000000        
S   1
  1     35.3852000              1.0000000        
S   1
  1     15.2745000              1.0000000        
S   1
  1      9.5638900              1.0000000        
S   1
  1      5.9060100              1.0000000        
S   1
  1      3.4743800              1.0000000        
S   1
  1      1.4832100              1.0000000        
S   1
  1      0.7342060              1.0000000        
S   1
  1      0.3157940              1.0000000        
S   1
  1      0.1317840              1.0000000        
S   1
  1      0.0842600              1.0000000        
P   1
  1    584.4140000              1.0000000        
P   1
  1    229.9250000              1.0000000        
P   1
  1     60.4072000              1.0000000        
P   1
  1     25.0288000              1.0000000        
P   1
  1     13.2035000              1.0000000        
P   1
  1      8.1139000              1.0000000        
P   1
  1      4.4322700              1.0000000        
P   1
  1      2.9880000              1.0000000        
P   1
  1      1.5504200              1.0000000        
P   1
  1      0.9001810              1.0000000        
P   1
  1      0.4654200              1.0000000        
P   1
  1      0.1987230              1.0000000        
P   1
  1      0.0908750              1.0000000        
D   1
  1    261.3580000              1.0000000        
D   1
  1     84.3650000              1.0000000        
D   1
  1     35.3412000              1.0000000        
D   1
  1     16.0354000              1.0000000        
D   1
  1      9.9849800              1.0000000        
D   1
  1      5.5218700              1.0000000        
D   1
  1      3.8905400              1.0000000        
D   1
  1      2.0082900              1.0000000        
D   1
  1      1.0128300              1.0000000        
D   1
  1      0.6249000              1.0000000        
D   1
  1      0.2608110              1.0000000        
F   1
  1    114.3350000              1.0000000        
F   1
  1     42.1699000              1.0000000        
F   1
  1     20.5905000              1.0000000        
F   1
  1     10.5577000              1.0000000        
F   1
  1      6.7086700              1.0000000        
F   1
  1      4.1216500              1.0000000        
F   1
  1      2.1436000              1.0000000        
F   1
  1      1.2999200              1.0000000        
F   1
  1      0.6641280              1.0000000        
F   1
  1      0.3295410              1.0000000        
G   1
  1     49.1046000              1.0000000        
G   1
  1     20.1535000              1.0000000        
G   1
  1     11.8121000              1.0000000        
G   1
  1      6.6898900              1.0000000        
G   1
  1      4.6213100              1.0000000        
G   1
  1      2.3853100              1.0000000        
G   1
  1      1.0975900              1.0000000        
G   1
  1      0.4424110              1.0000000        
H   1
  1     24.3882000              1.0000000        
H   1
  1     12.1684000              1.0000000        
H   1
  1      7.0153300              1.0000000        
H   1
  1      4.6116600              1.0000000        
H   1
  1      2.0747700              1.0000000        
I   1
  1     16.7879000              1.0000000        
I   1
  1     10.0993000              1.0000000        
I   1
  1      5.0516500              1.0000000        


name: cc-pwCVTZ-NR MP2 Fitting
description: MP2 auxiliary basis for use with cc-pwCVTZ-NR AO basis set
elt: Zn
data:
ZINC
S   1
  1   1336.4500000              1.0000000        
S   1
  1    479.7770000              1.0000000        
S   1
  1    177.2200000              1.0000000        
S   1
  1     71.6268000              1.0000000        
S   1
  1     41.6877000              1.0000000        
S   1
  1     16.1393000              1.0000000        
S   1
  1     10.4267000              1.0000000        
S   1
  1      6.6524800              1.0000000        
S   1
  1      3.7732200              1.0000000        
S   1
  1      1.9177200              1.0000000        
S   1
  1      0.9294540              1.0000000        
S   1
  1      0.3535970              1.0000000        
S   1
  1      0.1473450              1.0000000        
S   1
  1      0.0883350              1.0000000        
P   1
  1    611.3940000              1.0000000        
P   1
  1    247.8920000              1.0000000        
P   1
  1     63.6975000              1.0000000        
P   1
  1     26.6949000              1.0000000        
P   1
  1     14.1923000              1.0000000        
P   1
  1      8.7562300              1.0000000        
P   1
  1      4.9989100              1.0000000        
P   1
  1      3.1316200              1.0000000        
P   1
  1      1.7540700              1.0000000        
P   1
  1      1.0842200              1.0000000        
P   1
  1      0.5164030              1.0000000        
P   1
  1      0.2214070              1.0000000        
P   1
  1      0.1007650              1.0000000        
D   1
  1    277.8400000              1.0000000        
D   1
  1     87.5567000              1.0000000        
D   1
  1     38.3290000              1.0000000        
D   1
  1     17.2701000              1.0000000        
D   1
  1     10.3515000              1.0000000        
D   1
  1      6.4851700              1.0000000        
D   1
  1      4.0385600              1.0000000        
D   1
  1      2.4442500              1.0000000        
D   1
  1      1.2762700              1.0000000        
D   1
  1      0.8364160              1.0000000        
D   1
  1      0.3419060              1.0000000        
F   1
  1    123.4100000              1.0000000        
F   1
  1     45.4546000              1.0000000        
F   1
  1     22.1021000              1.0000000        
F   1
  1     11.6618000              1.0000000        
F   1
  1      7.0105700              1.0000000        
F   1
  1      4.9845000              1.0000000        
F   1
  1      2.7225000              1.0000000        
F   1
  1      1.7855200              1.0000000        
F   1
  1      0.8441110              1.0000000        
F   1
  1      0.4062000              1.0000000        
G   1
  1     53.5921000              1.0000000        
G   1
  1     21.6839000              1.0000000        
G   1
  1     12.8398000              1.0000000        
G   1
  1      6.9702800              1.0000000        
G   1
  1      5.1100800              1.0000000        
G   1
  1      2.7658800              1.0000000        
G   1
  1      1.4369300              1.0000000        
G   1
  1      0.5888840              1.0000000        
H   1
  1     26.4481000              1.0000000        
H   1
  1     13.4839000              1.0000000        
H   1
  1      7.8674100              1.0000000        
H   1
  1      5.3135500              1.0000000        
H   1
  1      2.4394700              1.0000000        
I   1
  1     19.3390000              1.0000000        
I   1
  1     11.5916000              1.0000000        
I   1
  1      5.9547300              1.0000000        


name: cc-pwCVTZ-PP
description: N/A
elt: Y
data:
YTTRIUM
S   9
  1    121.5550000              0.0003990        
  2     13.3508000             -0.0373740        
  3      8.3430400              0.2104080        
  4      5.2126200             -0.1742590        
  5      2.8482200             -0.4490590        
  6      0.7360920              0.7515460        
  7      0.3395250              0.5039130        
  8      0.0850000              0.0381900        
  9      0.0457190             -0.0168190        
S   9
  1    121.5550000             -0.0001380        
  2     13.3508000              0.0126550        
  3      8.3430400             -0.0725770        
  4      5.2126200              0.0689460        
  5      2.8482200              0.1410760        
  6      0.7360920             -0.3097690        
  7      0.3395250             -0.3640910        
  8      0.0850000              0.3089760        
  9      0.0457190              0.6183900        
S   9
  1    121.5550000             -0.0000250        
  2     13.3508000              0.0025120        
  3      8.3430400             -0.0493070        
  4      5.2126200             -0.0036710        
  5      2.8482200              0.3721140        
  6      0.7360920             -1.0040470        
  7      0.3395250             -0.0462620        
  8      0.0850000              2.7996160        
  9      0.0457190             -1.8967450        
S   9
  1    121.5550000              0.0003360        
  2     13.3508000             -0.0302260        
  3      8.3430400              0.0575900        
  4      5.2126200             -0.2202050        
  5      2.8482200              0.8124860        
  6      0.7360920             -2.9159010        
  7      0.3395250              2.9601310        
  8      0.0850000              0.3098150        
  9      0.0457190             -3.0151070        
S   1
  1      0.0217750              1.0000000        
S   1
  1      1.1595000              1.0000000        
S   1
  1      0.7248000              1.0000000        
P   8
  1     15.7057000             -0.0010080        
  2      9.8143400              0.0184510        
  3      3.9515200             -0.1533130        
  4      1.0287300              0.3882870        
  5      0.5203410              0.4715490        
  6      0.2628060              0.2442250        
  7      0.1191270              0.0374550        
  8      0.0532630              0.0009170        
P   8
  1     15.7057000             -0.0001460        
  2      9.8143400             -0.0045380        
  3      3.9515200              0.0466130        
  4      1.0287300             -0.1376680        
  5      0.5203410             -0.1888270        
  6      0.2628060             -0.1161280        
  7      0.1191270              0.3231850        
  8      0.0532630              0.6065240        
P   8
  1     15.7057000             -0.0006490        
  2      9.8143400              0.0126010        
  3      3.9515200             -0.1098480        
  4      1.0287300              0.3192010        
  5      0.5203410              0.8044380        
  6      0.2628060             -0.8756500        
  7      0.1191270             -1.0192500        
  8      0.0532630              0.9413270        
P   8
  1     15.7057000              0.0008090        
  2      9.8143400             -0.0150420        
  3      3.9515200              0.1388090        
  4      1.0287300             -0.6034190        
  5      0.5203410             -0.8228890        
  6      0.2628060              2.6576020        
  7      0.1191270             -1.8092190        
  8      0.0532630             -0.4174460        
P   1
  1      0.0233840              1.0000000        
P   1
  1      1.6502000              1.0000000        
P   1
  1      0.5105000              1.0000000        
D   7
  1     15.8535000              0.0009920        
  2      5.0818300             -0.0052340        
  3      1.4509500              0.0867890        
  4      0.6892770              0.2297090        
  5      0.3133420              0.3256070        
  6      0.1383830              0.3432860        
  7      0.0595550              0.2503880        
D   7
  1     15.8535000             -0.0010910        
  2      5.0818300              0.0056570        
  3      1.4509500             -0.1099010        
  4      0.6892770             -0.2902090        
  5      0.3133420             -0.3566240        
  6      0.1383830              0.0229490        
  7      0.0595550              0.5623060        
D   7
  1     15.8535000              0.0013370        
  2      5.0818300             -0.0069910        
  3      1.4509500              0.1521840        
  4      0.6892770              0.4617290        
  5      0.3133420              0.1555670        
  6      0.1383830             -0.9016730        
  7      0.0595550             -0.0617510        
D   1
  1      0.0245030              1.0000000        
D   1
  1      0.7588000              1.0000000        
D   1
  1      0.3575000              1.0000000        
F   1
  1      1.3325000              1.0000000        
F   1
  1      0.4418000              1.0000000        
F   1
  1      0.1248000              1.0000000        
G   1
  1      1.0034000              1.0000000        
G   1
  1      0.2769000              1.0000000        


name: cc-pwCVTZ-PP
description: N/A
elt: Zr
data:
ZIRCONIUM
S   9
  1    136.8260000              0.0004090        
  2     14.5128000             -0.0385170        
  3      9.0698100              0.2158150        
  4      5.6664000             -0.1733400        
  5      3.1131900             -0.4700670        
  6      0.8234820              0.7634610        
  7      0.3811930              0.5037400        
  8      0.0977920              0.0378590        
  9      0.0508390             -0.0153900        
S   9
  1    136.8260000             -0.0001420        
  2     14.5128000              0.0131450        
  3      9.0698100             -0.0753410        
  4      5.6664000              0.0699780        
  5      3.1131900              0.1504360        
  6      0.8234820             -0.3253820        
  7      0.3811930             -0.3567120        
  8      0.0977920              0.3070140        
  9      0.0508390              0.6239180        
S   9
  1    136.8260000             -0.0000310        
  2     14.5128000              0.0019190        
  3      9.0698100             -0.0509770        
  4      5.6664000             -0.0153840        
  5      3.1131900              0.4351660        
  6      0.8234820             -1.1911120        
  7      0.3811930              0.1292570        
  8      0.0977920              2.6494430        
  9      0.0508390             -1.8700320        
S   9
  1    136.8260000              0.0000940        
  2     14.5128000             -0.0109880        
  3      9.0698100             -0.0305380        
  4      5.6664000             -0.0961350        
  5      3.1131900              0.8023080        
  6      0.8234820             -3.2348630        
  7      0.3811930              3.4978270        
  8      0.0977920             -0.7468840        
  9      0.0508390             -1.7815950        
S   1
  1      0.0236930              1.0000000        
S   1
  1      1.2584000              1.0000000        
S   1
  1      0.7868000              1.0000000        
P   8
  1     17.4119000             -0.0011830        
  2     10.8799000              0.0191740        
  3      4.3280400             -0.1600700        
  4      1.1386400              0.4057620        
  5      0.5758550              0.4736200        
  6      0.2886700              0.2319610        
  7      0.1280140              0.0326620        
  8      0.0552900              0.0006340        
P   8
  1     17.4119000             -0.0001340        
  2     10.8799000             -0.0046090        
  3      4.3280400              0.0481890        
  4      1.1386400             -0.1454840        
  5      0.5758550             -0.1898740        
  6      0.2886700             -0.0778140        
  7      0.1280140              0.3319510        
  8      0.0552900              0.5837920        
P   8
  1     17.4119000             -0.0001070        
  2     10.8799000             -0.0067180        
  3      4.3280400              0.0683650        
  4      1.1386400             -0.2045500        
  5      0.5758550             -0.2797650        
  6      0.2886700             -0.0980140        
  7      0.1280140              0.6499590        
  8      0.0552900              0.4986110        
P   8
  1     17.4119000              0.0003190        
  2     10.8799000             -0.0136660        
  3      4.3280400              0.1316590        
  4      1.1386400             -0.4538160        
  5      0.5758550             -0.8019150        
  6      0.2886700              1.2831030        
  7      0.1280140              0.5992920        
  8      0.0552900             -1.0604800        
P   1
  1      0.0236130              1.0000000        
P   1
  1      1.8632000              1.0000000        
P   1
  1      0.5692000              1.0000000        
D   7
  1     18.0732000              0.0011410        
  2      5.2195900             -0.0082810        
  3      1.6998500              0.0933770        
  4      0.8363230              0.2509730        
  5      0.3933540              0.3439070        
  6      0.1788240              0.3298380        
  7      0.0782750              0.2121770        
D   7
  1     18.0732000             -0.0012140        
  2      5.2195900              0.0087890        
  3      1.6998500             -0.1164370        
  4      0.8363230             -0.3126190        
  5      0.3933540             -0.3388120        
  6      0.1788240              0.1097870        
  7      0.0782750              0.5744830        
D   7
  1     18.0732000              0.0016120        
  2      5.2195900             -0.0118120        
  3      1.6998500              0.1997150        
  4      0.8363230              0.5039140        
  5      0.3933540              0.0093700        
  6      0.1788240             -0.9116610        
  7      0.0782750              0.0859150        
D   1
  1      0.0322480              1.0000000        
D   1
  1      0.9437000              1.0000000        
D   1
  1      0.4591000              1.0000000        
F   1
  1      1.7007000              1.0000000        
F   1
  1      0.6032000              1.0000000        
F   1
  1      0.1931000              1.0000000        
G   1
  1      1.3203000              1.0000000        
G   1
  1      0.4195000              1.0000000        


name: cc-pwCVTZ-PP
description: N/A
elt: Nb
data:
NIOBIUM
S   9
  1    153.0710000              0.0004270        
  2     15.6363000             -0.0398340        
  3      9.7721800              0.2232090        
  4      6.1054400             -0.1760000        
  5      3.3909000             -0.4860610        
  6      0.9116760              0.7744000        
  7      0.4221390              0.5027280        
  8      0.1090790              0.0374030        
  9      0.0556240             -0.0146450        
S   9
  1    153.0710000             -0.0001480        
  2     15.6363000              0.0135970        
  3      9.7721800             -0.0781900        
  4      6.1054400              0.0718380        
  5      3.3909000              0.1563340        
  6      0.9116760             -0.3360430        
  7      0.4221390             -0.3472660        
  8      0.1090790              0.3058060        
  9      0.0556240              0.6211110        
S   9
  1    153.0710000             -0.0000530        
  2     15.6363000              0.0020220        
  3      9.7721800             -0.0540960        
  4      6.1054400             -0.0218900        
  5      3.3909000              0.4738280        
  6      0.9116760             -1.2925960        
  7      0.4221390              0.2337550        
  8      0.1090790              2.5185120        
  9      0.0556240             -1.7822210        
S   9
  1    153.0710000             -0.0001160        
  2     15.6363000              0.0059360        
  3      9.7721800             -0.1098620        
  4      6.1054400              0.0225290        
  5      3.3909000              0.7625580        
  6      0.9116760             -3.3668890        
  7      0.4221390              3.7305380        
  8      0.1090790             -1.2109090        
  9      0.0556240             -1.2127230        
S   1
  1      0.0255240              1.0000000        
S   1
  1      1.3790000              1.0000000        
S   1
  1      0.8625000              1.0000000        
P   8
  1     18.8713000             -0.0013830        
  2     11.7929000              0.0207100        
  3      4.7152900             -0.1677060        
  4      1.2553000              0.4181250        
  5      0.6350230              0.4741640        
  6      0.3175950              0.2237340        
  7      0.1410540              0.0306890        
  8      0.0604940              0.0006280        
P   8
  1     18.8713000             -0.0001020        
  2     11.7929000             -0.0050790        
  3      4.7152900              0.0513210        
  4      1.2553000             -0.1541440        
  5      0.6350230             -0.1927810        
  6      0.3175950             -0.0631470        
  7      0.1410540              0.3412080        
  8      0.0604940              0.5757850        
P   8
  1     18.8713000             -0.0000540        
  2     11.7929000             -0.0077120        
  3      4.7152900              0.0758660        
  4      1.2553000             -0.2266570        
  5      0.6350230             -0.3034970        
  6      0.3175950             -0.0467380        
  7      0.1410540              0.6780350        
  8      0.0604940              0.4528850        
P   8
  1     18.8713000              0.0002690        
  2     11.7929000             -0.0147500        
  3      4.7152900              0.1419370        
  4      1.2553000             -0.5173210        
  5      0.6350230             -0.7179400        
  6      0.3175950              1.3148940        
  7      0.1410540              0.4894290        
  8      0.0604940             -1.0389510        
P   1
  1      0.0256300              1.0000000        
P   1
  1      2.1470000              1.0000000        
P   1
  1      0.6456000              1.0000000        
D   7
  1     20.8985000              0.0012390        
  2      5.6013400             -0.0091370        
  3      1.9380500              0.0974180        
  4      0.9775120              0.2640250        
  5      0.4697960              0.3520390        
  6      0.2179050              0.3189190        
  7      0.0969170              0.1905900        
D   7
  1     20.8985000             -0.0013190        
  2      5.6013400              0.0096450        
  3      1.9380500             -0.1237060        
  4      0.9775120             -0.3240320        
  5      0.4697960             -0.3217030        
  6      0.2179050              0.1565040        
  7      0.0969170              0.5624300        
D   7
  1     20.8985000              0.0018290        
  2      5.6013400             -0.0134510        
  3      1.9380500              0.2322370        
  4      0.9775120              0.5415760        
  5      0.4697960             -0.1098090        
  6      0.2179050             -0.8826960        
  7      0.0969170              0.1429900        
D   1
  1      0.0403560              1.0000000        
D   1
  1      1.9979000              1.0000000        
D   1
  1      0.6035000              1.0000000        
F   1
  1      2.1093000              1.0000000        
F   1
  1      0.7724000              1.0000000        
F   1
  1      0.2652000              1.0000000        
G   1
  1      1.6600000              1.0000000        
G   1
  1      0.5906000              1.0000000        


name: cc-pwCVTZ-PP
description: N/A
elt: Mo
data:
MOLYBDENUM
S   9
  1    170.0690000              0.0004530        
  2     16.7338000             -0.0413800        
  3     10.4587000              0.2326990        
  4      6.5343400             -0.1825190        
  5      3.6793500             -0.4983180        
  6      1.0019200              0.7853790        
  7      0.4631400              0.5013700        
  8      0.1187270              0.0358290        
  9      0.0595140             -0.0140370        
S   9
  1    170.0690000             -0.0001560        
  2     16.7338000              0.0139920        
  3     10.4587000             -0.0809630        
  4      6.5343400              0.0744540        
  5      3.6793500              0.1588830        
  6      1.0019200             -0.3414150        
  7      0.4631400             -0.3366740        
  8      0.1187270              0.3095560        
  9      0.0595140              0.6149970        
S   9
  1    170.0690000             -0.0000750        
  2     16.7338000              0.0015070        
  3     10.4587000             -0.0536740        
  4      6.5343400             -0.0331090        
  5      3.6793500              0.5047010        
  6      1.0019200             -1.3515930        
  7      0.4631400              0.3070100        
  8      0.1187270              2.3973260        
  9      0.0595140             -1.6896850        
S   9
  1    170.0690000             -0.0002980        
  2     16.7338000              0.0209690        
  3     10.4587000             -0.1814220        
  4      6.5343400              0.1285330        
  5      3.6793500              0.7288700        
  6      1.0019200             -3.4647110        
  7      0.4631400              3.8855920        
  8      0.1187270             -1.5475660        
  9      0.0595140             -0.7618020        
S   1
  1      0.0270390              1.0000000        
S   1
  1      1.5009000              1.0000000        
S   1
  1      0.9390000              1.0000000        
P   8
  1     20.3080000             -0.0015140        
  2     12.6907000              0.0221680        
  3      5.1195000             -0.1743690        
  4      1.3778300              0.4279430        
  5      0.6968240              0.4753060        
  6      0.3473670              0.2174030        
  7      0.1528190              0.0285240        
  8      0.0650490              0.0004610        
P   8
  1     20.3080000             -0.0000830        
  2     12.6907000             -0.0054470        
  3      5.1195000              0.0532030        
  4      1.3778300             -0.1581500        
  5      0.6968240             -0.1918290        
  6      0.3473670             -0.0524490        
  7      0.1528190              0.3447620        
  8      0.0650490              0.5699340        
P   8
  1     20.3080000             -0.0000340        
  2     12.6907000             -0.0086930        
  3      5.1195000              0.0831140        
  4      1.3778300             -0.2494680        
  5      0.6968240             -0.3235300        
  6      0.3473670              0.0156020        
  7      0.1528190              0.6864390        
  8      0.0650490              0.4139530        
P   8
  1     20.3080000              0.0001020        
  2     12.6907000             -0.0158590        
  3      5.1195000              0.1536300        
  4      1.3778300             -0.5873860        
  5      0.6968240             -0.6442110        
  6      0.3473670              1.3803170        
  7      0.1528190              0.3384870        
  8      0.0650490             -0.9969510        
P   1
  1      0.0273390              1.0000000        
P   1
  1      2.4029000              1.0000000        
P   1
  1      0.7288000              1.0000000        
D   7
  1     22.6032000              0.0013060        
  2      6.3391400             -0.0124380        
  3      2.1776300              0.1035120        
  4      1.1070000              0.2776610        
  5      0.5353720              0.3588570        
  6      0.2489800              0.3092260        
  7      0.1104090              0.1740360        
D   7
  1     22.6032000             -0.0013410        
  2      6.3391400              0.0130470        
  3      2.1776300             -0.1256280        
  4      1.1070000             -0.3434410        
  5      0.5353720             -0.2978970        
  6      0.2489800              0.2001940        
  7      0.1104090              0.5671490        
D   7
  1     22.6032000              0.0020230        
  2      6.3391400             -0.0206910        
  3      2.1776300              0.2714220        
  4      1.1070000              0.5579390        
  5      0.5353720             -0.2102870        
  6      0.2489800             -0.8724070        
  7      0.1104090              0.2634070        
D   1
  1      0.0453770              1.0000000        
D   1
  1      2.3168000              1.0000000        
D   1
  1      0.7079000              1.0000000        
F   1
  1      2.5167000              1.0000000        
F   1
  1      0.9362000              1.0000000        
F   1
  1      0.3332000              1.0000000        
G   1
  1      1.9494000              1.0000000        
G   1
  1      0.7324000              1.0000000        


name: cc-pwCVTZ-PP
description: N/A
elt: Tc
data:
TECHNETIUM
S   9
  1    188.5090000              0.0004850        
  2     17.8080000             -0.0430660        
  3     11.1310000              0.2441460        
  4      6.9548300             -0.1935770        
  5      3.9764000             -0.5059760        
  6      1.0938100              0.7962750        
  7      0.5040080              0.4985920        
  8      0.1272060              0.0341460        
  9      0.0630470             -0.0129910        
S   9
  1    188.5090000             -0.0001640        
  2     17.8080000              0.0143460        
  3     11.1310000             -0.0837410        
  4      6.9548300              0.0784280        
  5      3.9764000              0.1569650        
  6      1.0938100             -0.3397950        
  7      0.5040080             -0.3239530        
  8      0.1272060              0.3005360        
  9      0.0630470              0.6094500        
S   9
  1    188.5090000             -0.0001130        
  2     17.8080000              0.0021590        
  3     11.1310000             -0.0586310        
  4      6.9548300             -0.0346400        
  5      3.9764000              0.5239370        
  6      1.0938100             -1.3880530        
  7      0.5040080              0.3582630        
  8      0.1272060              2.2951440        
  9      0.0630470             -1.5928100        
S   9
  1    188.5090000             -0.0004540        
  2     17.8080000              0.0339630        
  3     11.1310000             -0.2396960        
  4      6.9548300              0.2133340        
  5      3.9764000              0.6897390        
  6      1.0938100             -3.4513310        
  7      0.5040080              3.8753210        
  8      0.1272060             -1.6683870        
  9      0.0630470             -0.5242970        
S   1
  1      0.0284080              1.0000000        
S   1
  1      1.6313000              1.0000000        
S   1
  1      1.0210000              1.0000000        
P   8
  1     21.6444000             -0.0015590        
  2     13.5268000              0.0237090        
  3      5.5426600             -0.1803710        
  4      1.5061100              0.4355170        
  5      0.7616800              0.4764540        
  6      0.3783660              0.2128830        
  7      0.1635880              0.0266430        
  8      0.0689410              0.0001880        
P   8
  1     21.6444000             -0.0000960        
  2     13.5268000             -0.0057220        
  3      5.5426600              0.0539440        
  4      1.5061100             -0.1582580        
  5      0.7616800             -0.1873640        
  6      0.3783660             -0.0448460        
  7      0.1635880              0.3427490        
  8      0.0689410              0.5657040        
P   8
  1     21.6444000             -0.0000390        
  2     13.5268000             -0.0097340        
  3      5.5426600              0.0897940        
  4      1.5061100             -0.2706050        
  5      0.7616800             -0.3378530        
  6      0.3783660              0.0755710        
  7      0.1635880              0.6858690        
  8      0.0689410              0.3823930        
P   8
  1     21.6444000              0.0003340        
  2     13.5268000             -0.0181240        
  3      5.5426600              0.1656770        
  4      1.5061100             -0.6480380        
  5      0.7616800             -0.5825740        
  6      0.3783660              1.4399830        
  7      0.1635880              0.1921730        
  8      0.0689410             -0.9459650        
P   1
  1      0.0286740              1.0000000        
P   1
  1      2.6560000              1.0000000        
P   1
  1      0.8148000              1.0000000        
D   7
  1     25.3828000              0.0013390        
  2      6.9853800             -0.0132810        
  3      2.4121700              0.1080380        
  4      1.2417700              0.2860310        
  5      0.6052420              0.3608340        
  6      0.2828290              0.3011930        
  7      0.1255600              0.1650010        
D   7
  1     25.3828000             -0.0013560        
  2      6.9853800              0.0137140        
  3      2.4121700             -0.1234670        
  4      1.2417700             -0.3501630        
  5      0.6052420             -0.2873210        
  6      0.2828290              0.2197000        
  7      0.1255600              0.5668830        
D   7
  1     25.3828000              0.0022390        
  2      6.9853800             -0.0238620        
  3      2.4121700              0.3053790        
  4      1.2417700              0.5904270        
  5      0.6052420             -0.3180930        
  6      0.2828290             -0.8455750        
  7      0.1255600              0.3421110        
D   1
  1      0.0514850              1.0000000        
D   1
  1      2.6769000              1.0000000        
D   1
  1      0.8348000              1.0000000        
F   1
  1      2.9363000              1.0000000        
F   1
  1      1.1015000              1.0000000        
F   1
  1      0.4015000              1.0000000        
G   1
  1      2.2281000              1.0000000        
G   1
  1      0.8717000              1.0000000        


name: cc-pwCVTZ-PP
description: N/A
elt: Ru
data:
RUTHENIUM
S   9
  1    208.2500000              0.0005230        
  2     18.8471000             -0.0449130        
  3     11.7818000              0.2576260        
  4      7.3619500             -0.2091300        
  5      4.2777100             -0.5106620        
  6      1.1910700              0.8032470        
  7      0.5485680              0.4984140        
  8      0.1386940              0.0337660        
  9      0.0676510             -0.0120940        
S   9
  1    208.2500000             -0.0001750        
  2     18.8471000              0.0148030        
  3     11.7818000             -0.0875270        
  4      7.3619500              0.0842820        
  5      4.2777100              0.1549110        
  6      1.1910700             -0.3381410        
  7      0.5485680             -0.3160050        
  8      0.1386940              0.2835260        
  9      0.0676510              0.6092730        
S   9
  1    208.2500000             -0.0001820        
  2     18.8471000              0.0052730        
  3     11.7818000             -0.0785570        
  4      7.3619500             -0.0138970        
  5      4.2777100              0.5479870        
  6      1.1910700             -1.4980850        
  7      0.5485680              0.4795000        
  8      0.1386940              2.1402540        
  9      0.0676510             -1.4545610        
S   9
  1    208.2500000             -0.0006350        
  2     18.8471000              0.0517470        
  3     11.7818000             -0.3171890        
  4      7.3619500              0.3298480        
  5      4.2777100              0.6270530        
  6      1.1910700             -3.4222090        
  7      0.5485680              3.8479480        
  8      0.1386940             -1.6239260        
  9      0.0676510             -0.6032230        
S   1
  1      0.0301410              1.0000000        
S   1
  1      1.7760000              1.0000000        
S   1
  1      1.1122000              1.0000000        
P   8
  1     22.7753000             -0.0015440        
  2     14.2340000              0.0257710        
  3      5.9875500             -0.1865980        
  4      1.6392400              0.4427740        
  5      0.8278800              0.4781510        
  6      0.4090100              0.2083690        
  7      0.1718770              0.0246350        
  8      0.0712710             -0.0002190        
P   8
  1     22.7753000             -0.0001480        
  2     14.2340000             -0.0091740        
  3      5.9875500              0.0813740        
  4      1.6392400             -0.2361250        
  5      0.8278800             -0.2943330        
  6      0.4090100              0.0150980        
  7      0.1718770              0.6560890        
  8      0.0712710              0.4389440        
P   8
  1     22.7753000             -0.0000630        
  2     14.2340000             -0.0114610        
  3      5.9875500              0.0999930        
  4      1.6392400             -0.3036410        
  5      0.8278800             -0.3638860        
  6      0.4090100              0.1659350        
  7      0.1718770              0.7005450        
  8      0.0712710              0.3189430        
P   8
  1     22.7753000              0.0011030        
  2     14.2340000             -0.0225190        
  3      5.9875500              0.1821610        
  4      1.6392400             -0.7313300        
  5      0.8278800             -0.4901170        
  6      0.4090100              1.5235390        
  7      0.1718770             -0.0391820        
  8      0.0712710             -0.8661830        
P   1
  1      0.0292260              1.0000000        
P   1
  1      2.9679000              1.0000000        
P   1
  1      0.9406000              1.0000000        
D   7
  1     25.8838000              0.0015230        
  2      7.5925500             -0.0181620        
  3      2.7129300              0.1096910        
  4      1.3970800              0.2915970        
  5      0.6825650              0.3620440        
  6      0.3193780              0.2975140        
  7      0.1417810              0.1610370        
D   7
  1     25.8838000             -0.0015510        
  2      7.5925500              0.0190350        
  3      2.7129300             -0.1257740        
  4      1.3970800             -0.3632850        
  5      0.6825650             -0.2793510        
  6      0.3193780              0.2457120        
  7      0.1417810              0.5472610        
D   7
  1     25.8838000              0.0026560        
  2      7.5925500             -0.0337600        
  3      2.7129300              0.2929230        
  4      1.3970800              0.6173710        
  5      0.6825650             -0.3625300        
  6      0.3193780             -0.8031580        
  7      0.1417810              0.3154610        
D   1
  1      0.0580170              1.0000000        
D   1
  1      3.1021000              1.0000000        
D   1
  1      0.9654000              1.0000000        
F   1
  1      3.3727000              1.0000000        
F   1
  1      1.2785000              1.0000000        
F   1
  1      0.4754000              1.0000000        
G   1
  1      2.5345000              1.0000000        
G   1
  1      1.0311000              1.0000000        


name: cc-pwCVTZ-PP
description: N/A
elt: Rh
data:
RHODIUM
S   9
  1    228.9320000              0.0005680        
  2     19.9087000             -0.0468030        
  3     12.4468000              0.2723670        
  4      7.7782100             -0.2301680        
  5      4.5800600             -0.5095540        
  6      1.2906800              0.8098500        
  7      0.5934140              0.4978760        
  8      0.1491580              0.0331540        
  9      0.0719530             -0.0115130        
S   9
  1    228.9320000             -0.0001860        
  2     19.9087000              0.0151800        
  3     12.4468000             -0.0911300        
  4      7.7782100              0.0911990        
  5      4.5800600              0.1503790        
  6      1.2906800             -0.3344630        
  7      0.5934140             -0.3074430        
  8      0.1491580              0.2695540        
  9      0.0719530              0.6048640        
S   9
  1    228.9320000             -0.0002440        
  2     19.9087000              0.0079290        
  3     12.4468000             -0.0938930        
  4      7.7782100              0.0079360        
  5      4.5800600              0.5418830        
  6      1.2906800             -1.4974880        
  7      0.5934140              0.4948550        
  8      0.1491580              1.9905270        
  9      0.0719530             -1.2260370        
S   9
  1    228.9320000             -0.0007250        
  2     19.9087000              0.0599300        
  3     12.4468000             -0.3549510        
  4      7.7782100              0.3902970        
  5      4.5800600              0.5857430        
  6      1.2906800             -3.3028560        
  7      0.5934140              3.6257170        
  8      0.1491580             -1.2367490        
  9      0.0719530             -1.0070470        
S   1
  1      0.0317520              1.0000000        
S   1
  1      1.9294000              1.0000000        
S   1
  1      1.2089000              1.0000000        
P   8
  1     24.2117000             -0.0015790        
  2     15.1331000              0.0271980        
  3      6.4472000             -0.1914630        
  4      1.7777600              0.4476580        
  5      0.8990200              0.4777240        
  6      0.4445220              0.2058190        
  7      0.1886740              0.0243520        
  8      0.0785140             -0.0000580        
P   8
  1     24.2117000             -0.0001320        
  2     15.1331000             -0.0065320        
  3      6.4472000              0.0564450        
  4      1.7777600             -0.1610630        
  5      0.8990200             -0.1842580        
  6      0.4445220             -0.0336100        
  7      0.1886740              0.3445440        
  8      0.0785140              0.5595730        
P   8
  1     24.2117000              0.0001470        
  2     15.1331000             -0.0133530        
  3      6.4472000              0.1094800        
  4      1.7777600             -0.3362590        
  5      0.8990200             -0.3686360        
  6      0.4445220              0.2138540        
  7      0.1886740              0.6803790        
  8      0.0785140              0.3077610        
P   8
  1     24.2117000              0.0023040        
  2     15.1331000             -0.0272970        
  3      6.4472000              0.1976470        
  4      1.7777600             -0.8063470        
  5      0.8990200             -0.3874520        
  6      0.4445220              1.5168270        
  7      0.1886740             -0.1135820        
  8      0.0785140             -0.8286130        
P   1
  1      0.0321950              1.0000000        
P   1
  1      3.2029000              1.0000000        
P   1
  1      1.0187000              1.0000000        
D   7
  1     29.4998000              0.0016770        
  2      7.4043700             -0.0184390        
  3      3.0595900              0.1050760        
  4      1.5820500              0.2937700        
  5      0.7748340              0.3641780        
  6      0.3630560              0.2972650        
  7      0.1610470              0.1599580        
D   7
  1     29.4998000             -0.0017860        
  2      7.4043700              0.0201300        
  3      3.0595900             -0.1279690        
  4      1.5820500             -0.3807800        
  5      0.7748340             -0.2708410        
  6      0.3630560              0.2651630        
  7      0.1610470              0.5378200        
D   7
  1     29.4998000              0.0030290        
  2      7.4043700             -0.0362820        
  3      3.0595900              0.2815510        
  4      1.5820500              0.6384210        
  5      0.7748340             -0.3871850        
  6      0.3630560             -0.7962390        
  7      0.1610470              0.3375180        
D   1
  1      0.0656200              1.0000000        
D   1
  1      3.3862000              1.0000000        
D   1
  1      1.0991000              1.0000000        
F   1
  1      3.8661000              1.0000000        
F   1
  1      1.4719000              1.0000000        
F   1
  1      0.5553000              1.0000000        
G   1
  1      2.8347000              1.0000000        
G   1
  1      1.1907000              1.0000000        


name: cc-pwCVTZ-PP
description: N/A
elt: Pd
data:
PALLADIUM
S   9
  1    247.2020000              0.0006240        
  2     20.7937000             -0.0501980        
  3     13.0019000              0.2962420        
  4      8.1256200             -0.2640150        
  5      4.8884200             -0.5037150        
  6      1.3920600              0.8177430        
  7      0.6383820              0.4964090        
  8      0.1588280              0.0323180        
  9      0.0757930             -0.0110230        
S   9
  1    247.2020000             -0.0002000        
  2     20.7937000              0.0158670        
  3     13.0019000             -0.0968700        
  4      8.1256200              0.1017160        
  5      4.8884200              0.1434910        
  6      1.3920600             -0.3291740        
  7      0.6383820             -0.2996310        
  8      0.1588280              0.2591500        
  9      0.0757930              0.5993290        
S   9
  1    247.2020000             -0.0002890        
  2     20.7937000              0.0100490        
  3     13.0019000             -0.1055420        
  4      8.1256200              0.0255180        
  5      4.8884200              0.5196830        
  6      1.3920600             -1.4174220        
  7      0.6383820              0.4318030        
  8      0.1588280              1.8563460        
  9      0.0757930             -0.9626340        
S   9
  1    247.2020000             -0.0008060        
  2     20.7937000              0.0673350        
  3     13.0019000             -0.3972070        
  4      8.1256200              0.4583510        
  5      4.8884200              0.5570950        
  6      1.3920600             -3.2352070        
  7      0.6383820              3.4344500        
  8      0.1588280             -0.8478430        
  9      0.0757930             -1.3772410        
S   1
  1      0.0331840              1.0000000        
S   1
  1      2.0820000              1.0000000        
S   1
  1      1.3054000              1.0000000        
P   8
  1     24.8824000             -0.0017220        
  2     15.5517000              0.0315340        
  3      6.9234300             -0.2010620        
  4      1.9228600              0.4525720        
  5      0.9711910              0.4799470        
  6      0.4769190              0.2040450        
  7      0.1938660              0.0225170        
  8      0.0787920             -0.0006140        
P   8
  1     24.8824000             -0.0002120        
  2     15.5517000             -0.0068010        
  3      6.9234300              0.0539880        
  4      1.9228600             -0.1486710        
  5      0.9711910             -0.1667440        
  6      0.4769190             -0.0347260        
  7      0.1938660              0.3263210        
  8      0.0787920              0.5599760        
P   8
  1     24.8824000              0.0002580        
  2     15.5517000             -0.0165210        
  3      6.9234300              0.1208050        
  4      1.9228600             -0.3642750        
  5      0.9711910             -0.3807400        
  6      0.4769190              0.2890590        
  7      0.1938660              0.6824540        
  8      0.0787920              0.2585140        
P   8
  1     24.8824000              0.0034320        
  2     15.5517000             -0.0345360        
  3      6.9234300              0.2162500        
  4      1.9228600             -0.8692850        
  5      0.9711910             -0.2962990        
  6      0.4769190              1.5226960        
  7      0.1938660             -0.2638220        
  8      0.0787920             -0.7598920        
P   1
  1      0.0316530              1.0000000        
P   1
  1      3.4515000              1.0000000        
P   1
  1      1.1186000              1.0000000        
D   7
  1     29.0204000              0.0021720        
  2      6.4114900             -0.0479580        
  3      3.9973600              0.1033430        
  4      1.8874200              0.2932100        
  5      0.9132080              0.3716870        
  6      0.4256750              0.3064560        
  7      0.1877270              0.1666290        
D   7
  1     29.0204000             -0.0023520        
  2      6.4114900              0.0544140        
  3      3.9973600             -0.1263090        
  4      1.8874200             -0.3977950        
  5      0.9132080             -0.2964330        
  6      0.4256750              0.2617170        
  7      0.1877270              0.5376890        
D   7
  1     29.0204000              0.0037610        
  2      6.4114900             -0.0967630        
  3      3.9973600              0.2519190        
  4      1.8874200              0.7039300        
  5      0.9132080             -0.3283750        
  6      0.4256750             -0.8381000        
  7      0.1877270              0.3242530        
D   1
  1      0.0757900              1.0000000        
D   1
  1      3.7624000              1.0000000        
D   1
  1      1.2466000              1.0000000        
F   1
  1      4.3359000              1.0000000        
F   1
  1      1.6678000              1.0000000        
F   1
  1      0.6384000              1.0000000        
G   1
  1      3.1489000              1.0000000        
G   1
  1      1.3721000              1.0000000        


name: cc-pwCVTZ-PP
description: TZ2P Pseudopotential weighted Core-Valence Triple Zeta + Polarization
elt: Cu
data:
COPPER
S   9
  1   1946.3500000              0.0001730        
  2    277.9450000              0.0009580        
  3     60.0108000             -0.0139320        
  4     37.5138000              0.0666720        
  5     10.9688000             -0.4144860        
  6      2.3353600              0.7319850        
  7      0.9775800              0.4735590        
  8      0.1858870              0.0288600        
  9      0.0948510             -0.0143780        
S   9
  1   1946.3500000             -0.0000430        
  2    277.9450000             -0.0001730        
  3     60.0108000              0.0021820        
  4     37.5138000             -0.0132150        
  5     10.9688000              0.0954600        
  6      2.3353600             -0.2048920        
  7      0.9775800             -0.2429550        
  8      0.1858870              0.2128160        
  9      0.0948510              0.5320730        
S   9
  1   1946.3500000             -0.0000850        
  2    277.9450000             -0.0004180        
  3     60.0108000              0.0051250        
  4     37.5138000             -0.0280790        
  5     10.9688000              0.2066260        
  6      2.3353600             -0.6763950        
  7      0.9775800              0.0068900        
  8      0.1858870              1.6771590        
  9      0.0948510             -0.4592680        
S   9
  1   1946.3500000             -0.0003310        
  2    277.9450000              0.0007840        
  3     60.0108000             -0.0199370        
  4     37.5138000             -0.0064730        
  5     10.9688000              0.4304630        
  6      2.3353600             -2.3103570        
  7      0.9775800              2.2981990        
  8      0.1858870              0.3918090        
  9      0.0948510             -2.2238270        
S   1
  1      0.0403630              1.0000000        
S   1
  1      4.1727000              1.0000000        
S   1
  1      2.6091000              1.0000000        
P   8
  1    395.0250000              0.0002060        
  2     64.7808000              0.0038720        
  3     17.8335000             -0.0831640        
  4      4.3595800              0.3467890        
  5      2.0181600              0.4867620        
  6      0.9023120              0.2722850        
  7      0.3122900              0.0339860        
  8      0.1156800             -0.0036900        
P   8
  1    395.0250000             -0.0000510        
  2     64.7808000             -0.0007000        
  3     17.8335000              0.0170850        
  4      4.3595800             -0.0814680        
  5      2.0181600             -0.1198010        
  6      0.9023120             -0.0599620        
  7      0.3122900              0.2354600        
  8      0.1156800              0.5603760        
P   8
  1    395.0250000             -0.0001220        
  2     64.7808000             -0.0012420        
  3     17.8335000              0.0352160        
  4      4.3595800             -0.1894850        
  5      2.0181600             -0.2432280        
  6      0.9023120              0.0252340        
  7      0.3122900              0.5801290        
  8      0.1156800              0.4825400        
P   8
  1    395.0250000             -0.0003940        
  2     64.7808000             -0.0013450        
  3     17.8335000              0.0791750        
  4      4.3595800             -0.5949390        
  5      2.0181600             -0.4104190        
  6      0.9023120              1.0418980        
  7      0.3122900              0.3430100        
  8      0.1156800             -0.8397400        
P   1
  1      0.0417450              1.0000000        
P   1
  1      8.4652000              1.0000000        
P   1
  1      2.1782000              1.0000000        
D   7
  1    134.0680000              0.0029660        
  2     42.2407000              0.0273300        
  3     16.5467000              0.1001680        
  4      7.0122700              0.2319250        
  5      3.0244600              0.3392610        
  6      1.2646100              0.3452250        
  7      0.4962380              0.2466370        
D   7
  1    134.0680000             -0.0036790        
  2     42.2407000             -0.0338610        
  3     16.5467000             -0.1283960        
  4      7.0122700             -0.3011240        
  5      3.0244600             -0.3197480        
  6      1.2646100              0.0845510        
  7      0.4962380              0.5018780        
D   7
  1    134.0680000              0.0045260        
  2     42.2407000              0.0423250        
  3     16.5467000              0.1662100        
  4      7.0122700              0.4031220        
  5      3.0244600              0.0713050        
  6      1.2646100             -0.7108880        
  7      0.4962380             -0.1463320        
D   1
  1      0.1731340              1.0000000        
D   1
  1      5.9415000              1.0000000        
D   1
  1      3.3806000              1.0000000        
F   1
  1      9.4446000              1.0000000        
F   1
  1      3.5983000              1.0000000        
F   1
  1      1.2848000              1.0000000        
G   1
  1      8.6183000              1.0000000        
G   1
  1      3.4525000              1.0000000        


name: cc-pwCVTZ-PP
description: TZ2P Pseudopotential weighted Core-Valence Triple Zeta + Polarization
elt: Zn
data:
ZINC
S   9
  1   2203.4100000              0.0001500        
  2    315.5820000              0.0008300        
  3     66.4556000             -0.0132000        
  4     41.6666000              0.0630870        
  5     11.8328000             -0.4147250        
  6      2.5399600              0.7387780        
  7      1.0595000              0.4718890        
  8      0.1997510              0.0233840        
  9      0.1016300             -0.0127000        
S   9
  1   2203.4100000             -0.0000380        
  2    315.5820000             -0.0001490        
  3     66.4556000              0.0021030        
  4     41.6666000             -0.0126920        
  5     11.8328000              0.0971100        
  6      2.5399600             -0.2118140        
  7      1.0595000             -0.2473130        
  8      0.1997510              0.2579730        
  9      0.1016300              0.5405670        
S   9
  1   2203.4100000              0.0001330        
  2    315.5820000              0.0003060        
  3     66.4556000             -0.0026540        
  4     41.6666000              0.0319690        
  5     11.8328000             -0.3133110        
  6      2.5399600              1.2334750        
  7      1.0595000             -0.5532890        
  8      0.1997510             -2.0634140        
  9      0.1016300              1.6067170        
S   9
  1   2203.4100000              0.0004580        
  2    315.5820000             -0.0026650        
  3     66.4556000              0.0533970        
  4     41.6666000             -0.0535800        
  5     11.8328000             -0.3866060        
  6      2.5399600              2.5219240        
  7      1.0595000             -2.9926140        
  8      0.1997510              1.9513600        
  9      0.1016300             -0.4226390        
S   1
  1      0.0425660              1.0000000        
S   1
  1      4.5786000              1.0000000        
S   1
  1      2.8641000              1.0000000        
P   8
  1    558.2510000              0.0001280        
  2     87.5501000              0.0025050        
  3     19.6744000             -0.0799920        
  4      4.6596900              0.3618820        
  5      2.1399800              0.4894150        
  6      0.9534370              0.2569110        
  7      0.3246550              0.0276700        
  8      0.1193480             -0.0030170        
P   8
  1    558.2510000             -0.0000310        
  2     87.5501000             -0.0004320        
  3     19.6744000              0.0158940        
  4      4.6596900             -0.0818560        
  5      2.1399800             -0.1162980        
  6      0.9534370             -0.0530950        
  7      0.3246550              0.2405910        
  8      0.1193480              0.5573730        
P   8
  1    558.2510000              0.0000640        
  2     87.5501000              0.0006900        
  3     19.6744000             -0.0288850        
  4      4.6596900              0.1630810        
  5      2.1399800              0.2030330        
  6      0.9534370              0.0196180        
  7      0.3246550             -0.5551300        
  8      0.1193480             -0.5290840        
P   8
  1    558.2510000              0.0002760        
  2     87.5501000              0.0005640        
  3     19.6744000             -0.0761040        
  4      4.6596900              0.6145760        
  5      2.1399800              0.3747180        
  6      0.9534370             -1.0110220        
  7      0.3246550             -0.3827690        
  8      0.1193480              0.8210210        
P   1
  1      0.0428360              1.0000000        
P   1
  1      9.2190000              1.0000000        
P   1
  1      2.3491000              1.0000000        
D   7
  1    162.5730000              0.0025070        
  2     50.8500000              0.0241370        
  3     20.1679000              0.0905710        
  4      8.6009500              0.2170330        
  5      3.7610800              0.3321450        
  6      1.6056100              0.3504780        
  7      0.6490060              0.2562230        
D   7
  1    162.5730000              0.0035010        
  2     50.8500000              0.0337260        
  3     20.1679000              0.1308020        
  4      8.6009500              0.3234790        
  5      3.7610800              0.3584120        
  6      1.6056100             -0.1122800        
  7      0.6490060             -0.5354300        
D   7
  1    162.5730000              0.0040620        
  2     50.8500000              0.0407070        
  3     20.1679000              0.1610480        
  4      8.6009500              0.4362390        
  5      3.7610800              0.0180170        
  6      1.6056100             -0.7643560        
  7      0.6490060             -0.0206420        
D   1
  1      0.2359550              1.0000000        
D   1
  1      6.6860000              1.0000000        
D   1
  1      4.0411000              1.0000000        
F   1
  1     10.6965000              1.0000000        
F   1
  1      4.1013000              1.0000000        
F   1
  1      1.4950000              1.0000000        
G   1
  1      9.7523000              1.0000000        
G   1
  1      4.0872000              1.0000000        


name: cc-pwCVTZ-PP
description: TZ2P Pseudopotential weighted Core-Valence Triple Zeta + Polarization
elt: Ga
data:
GALLIUM
S   7
  1      1.192920E+04           6.400000E-05     
  2      1.783700E+03           4.730000E-04     
  3      3.784670E+02           2.055000E-03     
  4      2.966230E+01           1.202900E-01     
  5      1.423320E+01          -4.633920E-01     
  6      2.687390E+00           7.443840E-01     
  7      1.150960E+00           4.505960E-01     
S   7
  1      1.192920E+04          -1.800000E-05     
  2      1.783700E+03          -1.230000E-04     
  3      3.784670E+02          -6.100000E-04     
  4      2.966230E+01          -3.126400E-02     
  5      1.423320E+01           1.268690E-01     
  6      2.687390E+00          -2.578570E-01     
  7      1.150960E+00          -2.867260E-01     
S   1
  1      2.561640E-01           1.0000000        
S   1
  1      1.228740E-01           1.0000000        
S   1
  1      5.346800E-02           1.0000000        
S   1
  1      4.979900E+00           1.0000000        
S   1
  1      8.391000E-01           1.0000000        
P   9
  1      6.483110E+02           1.170000E-04     
  2      1.033240E+02           2.102000E-03     
  3      2.100660E+01          -8.104400E-02     
  4      5.034120E+00           3.714330E-01     
  5      2.294580E+00           5.014250E-01     
  6      1.010780E+00           2.408060E-01     
  7      3.265690E-01           1.844000E-02     
  8      1.173290E-01          -2.056000E-03     
  9      4.127300E-02           7.110000E-04     
P   9
  1      6.483110E+02          -2.500000E-05     
  2      1.033240E+02          -3.130000E-04     
  3      2.100660E+01           1.406700E-02     
  4      5.034120E+00          -7.266200E-02     
  5      2.294580E+00          -1.030720E-01     
  6      1.010780E+00          -4.917600E-02     
  7      3.265690E-01           2.253290E-01     
  8      1.173290E-01           5.517370E-01     
  9      4.127300E-02           3.791640E-01     
P   1
  1      3.095000E-01           1.0000000        
P   1
  1      4.580000E-02           1.0000000        
P   1
  1      5.673100E+00           1.0000000        
P   1
  1      8.661000E-01           1.0000000        
D   7
  1      1.978180E+02           2.208000E-03     
  2      6.194170E+01           2.202300E-02     
  3      2.475330E+01           8.291500E-02     
  4      1.061630E+01           2.053990E-01     
  5      4.688310E+00           3.278350E-01     
  6      2.039040E+00           3.585750E-01     
  7      8.491240E-01           2.605990E-01     
D   1
  1      3.205580E-01           1.0000000        
D   1
  1      1.102000E-01           1.0000000        
D   1
  1      2.253400E+00           1.0000000        
D   1
  1      8.998000E-01           1.0000000        
F   1
  1      3.015000E-01           1.0000000        
F   1
  1      5.009000E+00           1.0000000        
F   1
  1      1.198500E+00           1.0000000        
G   1
  1      1.367100E+00           1.0000000        


name: cc-pwCVTZ-PP
description: TZ2P Pseudopotential weighted Core-Valence Triple Zeta + Polarization
elt: Ge
data:
GERMANIUM
S   7
  1      1.012040E+04           1.290000E-04     
  2      1.521460E+03           9.230000E-04     
  3      3.344110E+02           3.500000E-03     
  4      3.367780E+01           1.035450E-01     
  5      1.516900E+01          -4.384470E-01     
  6      2.937830E+00           7.279750E-01     
  7      1.292340E+00           4.607490E-01     
S   7
  1      1.012040E+04          -4.200000E-05     
  2      1.521460E+03          -2.770000E-04     
  3      3.344110E+02          -1.173000E-03     
  4      3.367780E+01          -2.997200E-02     
  5      1.516900E+01           1.344660E-01     
  6      2.937830E+00          -2.874370E-01     
  7      1.292340E+00          -3.234750E-01     
S   1
  1      3.304530E-01           1.0000000        
S   1
  1      1.587800E-01           1.0000000        
S   1
  1      6.877300E-02           1.0000000        
S   1
  1      5.467800E+00           1.0000000        
S   1
  1      9.988000E-01           1.0000000        
P   9
  1      5.875220E+02           1.760000E-04     
  2      9.990140E+01           2.705000E-03     
  3      2.255740E+01          -8.202300E-02     
  4      5.544210E+00           3.629990E-01     
  5      2.568900E+00           5.016570E-01     
  6      1.157450E+00           2.450560E-01     
  7      3.967520E-01           1.976800E-02     
  8      1.516670E-01          -2.021000E-03     
  9      5.604600E-02           7.030000E-04     
P   9
  1      5.875220E+02          -4.600000E-05     
  2      9.990140E+01          -4.890000E-04     
  3      2.255740E+01           1.728400E-02     
  4      5.544210E+00          -8.705000E-02     
  5      2.568900E+00          -1.275750E-01     
  6      1.157450E+00          -5.957500E-02     
  7      3.967520E-01           2.730540E-01     
  8      1.516670E-01           5.634800E-01     
  9      5.604600E-02           3.184350E-01     
P   1
  1      4.151000E-01           1.0000000        
P   1
  1      6.500000E-02           1.0000000        
P   1
  1      6.828400E+00           1.0000000        
P   1
  1      1.184600E+00           1.0000000        
D   7
  1      2.299860E+02           1.950000E-03     
  2      7.115460E+01           1.994200E-02     
  3      2.877960E+01           7.815000E-02     
  4      1.241280E+01           2.001840E-01     
  5      5.542300E+00           3.263010E-01     
  6      2.446200E+00           3.632720E-01     
  7      1.042010E+00           2.598850E-01     
D   1
  1      4.029060E-01           1.0000000        
D   1
  1      1.441000E-01           1.0000000        
D   1
  1      2.672700E+00           1.0000000        
D   1
  1      1.107400E+00           1.0000000        
F   1
  1      3.544000E-01           1.0000000        
F   1
  1      5.757600E+00           1.0000000        
F   1
  1      1.414700E+00           1.0000000        
G   1
  1      1.625200E+00           1.0000000        


name: cc-pwCVTZ-PP
description: TZ2P Pseudopotential weighted Core-Valence Triple Zeta + Polarization
elt: As
data:
ARSENIC
S   7
  1      9.230120E+03           2.450000E-04     
  2      1.390340E+03           1.717000E-03     
  3      3.101850E+02           5.989000E-03     
  4      3.862420E+01           9.046600E-02     
  5      1.628830E+01          -4.111950E-01     
  6      3.209010E+00           7.044100E-01     
  7      1.447920E+00           4.735570E-01     
S   7
  1      9.230120E+03          -8.700000E-05     
  2      1.390340E+03          -5.800000E-04     
  3      3.101850E+02          -2.216000E-03     
  4      3.862420E+01          -2.858300E-02     
  5      1.628830E+01           1.379070E-01     
  6      3.209010E+00          -3.095720E-01     
  7      1.447920E+00          -3.564480E-01     
S   1
  1      4.192170E-01           1.0000000        
S   1
  1      2.010240E-01           1.0000000        
S   1
  1      8.623600E-02           1.0000000        
S   1
  1      5.985900E+00           1.0000000        
S   1
  1      1.173200E+00           1.0000000        
P   9
  1      5.125520E+02           2.700000E-04     
  2      8.981150E+01           3.976000E-03     
  3      2.394710E+01          -8.723100E-02     
  4      6.135450E+00           3.512290E-01     
  5      2.890980E+00           5.037530E-01     
  6      1.327670E+00           2.524220E-01     
  7      4.810440E-01           2.169600E-02     
  8      1.902080E-01          -2.047000E-03     
  9      7.200800E-02           5.820000E-04     
P   9
  1      5.125520E+02          -7.800000E-05     
  2      8.981150E+01          -8.240000E-04     
  3      2.394710E+01           2.083200E-02     
  4      6.135450E+00          -9.622900E-02     
  5      2.890980E+00          -1.468760E-01     
  6      1.327670E+00          -7.090300E-02     
  7      4.810440E-01           2.985700E-01     
  8      1.902080E-01           5.689430E-01     
  9      7.200800E-02           2.899240E-01     
P   1
  1      5.297000E-01           1.0000000        
P   1
  1      8.550000E-02           1.0000000        
P   1
  1      8.037700E+00           1.0000000        
P   1
  1      1.510800E+00           1.0000000        
D   7
  1      2.654440E+02           1.781000E-03     
  2      8.137340E+01           1.851300E-02     
  3      3.339560E+01           7.609800E-02     
  4      1.441070E+01           1.937100E-01     
  5      6.470320E+00           3.245120E-01     
  6      2.885820E+00           3.681000E-01     
  7      1.249190E+00           2.603440E-01     
D   1
  1      4.904260E-01           1.0000000        
D   1
  1      1.798000E-01           1.0000000        
D   1
  1      3.143000E+00           1.0000000        
D   1
  1      1.337300E+00           1.0000000        
F   1
  1      4.237000E-01           1.0000000        
F   1
  1      6.605100E+00           1.0000000        
F   1
  1      1.663500E+00           1.0000000        
G   1
  1      1.915300E+00           1.0000000        


name: cc-pwCVTZ-PP
description: TZ2P Pseudopotential weighted Core-Valence Triple Zeta + Polarization
elt: Se
data:
SELENIUM
S   7
  1      8.991800E+03           4.210000E-04     
  2      1.355200E+03           2.933000E-03     
  3      3.034980E+02           9.870000E-03     
  4      4.438700E+01           8.086000E-02     
  5      1.715810E+01          -3.914900E-01     
  6      3.502620E+00           6.863270E-01     
  7      1.615830E+00           4.855820E-01     
S   7
  1      8.991800E+03          -1.650000E-04     
  2      1.355200E+03          -1.104000E-03     
  3      3.034980E+02          -4.015000E-03     
  4      4.438700E+01          -2.762800E-02     
  5      1.715810E+01           1.415820E-01     
  6      3.502620E+00          -3.316090E-01     
  7      1.615830E+00          -3.848760E-01     
S   1
  1      5.046210E-01           1.0000000        
S   1
  1      2.407280E-01           1.0000000        
S   1
  1      1.025980E-01           1.0000000        
S   1
  1      6.514700E+00           1.0000000        
S   1
  1      1.343100E+00           1.0000000        
P   9
  1      4.918970E+02           3.680000E-04     
  2      8.923280E+01           4.872000E-03     
  3      2.550690E+01          -8.854700E-02     
  4      6.699920E+00           3.466370E-01     
  5      3.187720E+00           5.068780E-01     
  6      1.483850E+00           2.515060E-01     
  7      5.621350E-01           2.199500E-02     
  8      2.210550E-01          -1.235000E-03     
  9      8.225200E-02           6.100000E-04     
P   9
  1      4.918970E+02          -1.150000E-04     
  2      8.923280E+01          -1.102000E-03     
  3      2.550690E+01           2.302500E-02     
  4      6.699920E+00          -1.044220E-01     
  5      3.187720E+00          -1.640980E-01     
  6      1.483850E+00          -7.240900E-02     
  7      5.621350E-01           3.278190E-01     
  8      2.210550E-01           5.611980E-01     
  9      8.225200E-02           2.784910E-01     
P   1
  1      6.364000E-01           1.0000000        
P   1
  1      9.780000E-02           1.0000000        
P   1
  1      9.062000E+00           1.0000000        
P   1
  1      1.786100E+00           1.0000000        
D   7
  1      3.018680E+02           1.637000E-03     
  2      9.212540E+01           1.696700E-02     
  3      3.790810E+01           7.417600E-02     
  4      1.641710E+01           1.894830E-01     
  5      7.414960E+00           3.234940E-01     
  6      3.337380E+00           3.715420E-01     
  7      1.464380E+00           2.597780E-01     
D   1
  1      5.825160E-01           1.0000000        
D   1
  1      2.162000E-01           1.0000000        
D   1
  1      3.647700E+00           1.0000000        
D   1
  1      1.579300E+00           1.0000000        
F   1
  1      4.696000E-01           1.0000000        
F   1
  1      7.356800E+00           1.0000000        
F   1
  1      1.888200E+00           1.0000000        
G   1
  1      2.214500E+00           1.0000000        


name: cc-pwCVTZ-PP
description: TZ2P Pseudopotential weighted Core-Valence Triple Zeta + Polarization
elt: Br
data:
BROMINE
S   7
  1      9.659390E+03           3.710000E-04     
  2      1.455960E+03           2.571000E-03     
  3      3.259140E+02           8.485000E-03     
  4      4.656570E+01           7.822200E-02     
  5      1.824690E+01          -3.971490E-01     
  6      3.802010E+00           6.858640E-01     
  7      1.786320E+00           4.868190E-01     
S   7
  1      9.659390E+03          -1.520000E-04     
  2      1.455960E+03          -1.008000E-03     
  3      3.259140E+02          -3.609000E-03     
  4      4.656570E+01          -2.787200E-02     
  5      1.824690E+01           1.513170E-01     
  6      3.802010E+00          -3.514970E-01     
  7      1.786320E+00          -4.107030E-01     
S   1
  1      6.027140E-01           1.0000000        
S   1
  1      2.840140E-01           1.0000000        
S   1
  1      1.202710E-01           1.0000000        
S   1
  1      7.074200E+00           1.0000000        
S   1
  1      1.495400E+00           1.0000000        
P   9
  1      4.921870E+02           4.720000E-04     
  2      9.236420E+01           5.494000E-03     
  3      2.707180E+01          -8.803000E-02     
  4      7.265390E+00           3.434850E-01     
  5      3.484810E+00           5.102080E-01     
  6      1.640480E+00           2.486310E-01     
  7      6.485700E-01           2.220100E-02     
  8      2.564070E-01          -4.190000E-04     
  9      9.530400E-02           6.560000E-04     
P   9
  1      4.921870E+02          -1.580000E-04     
  2      9.236420E+01          -1.344000E-03     
  3      2.707180E+01           2.461600E-02     
  4      7.265390E+00          -1.125320E-01     
  5      3.484810E+00          -1.797750E-01     
  6      1.640480E+00          -7.366100E-02     
  7      6.485700E-01           3.487340E-01     
  8      2.564070E-01           5.579480E-01     
  9      9.530400E-02           2.664560E-01     
P   1
  1      7.666000E-01           1.0000000        
P   1
  1      1.182000E-01           1.0000000        
P   1
  1      1.016400E+01           1.0000000        
P   1
  1      2.105700E+00           1.0000000        
D   7
  1      3.389960E+02           1.524000E-03     
  2      1.032170E+02           1.567300E-02     
  3      4.236380E+01           7.240000E-02     
  4      1.843560E+01           1.863030E-01     
  5      8.372540E+00           3.238810E-01     
  6      3.802220E+00           3.745340E-01     
  7      1.686770E+00           2.574180E-01     
D   1
  1      6.775200E-01           1.0000000        
D   1
  1      2.553000E-01           1.0000000        
D   1
  1      4.155700E+00           1.0000000        
D   1
  1      1.832600E+00           1.0000000        
F   1
  1      5.606000E-01           1.0000000        
F   1
  1      8.313100E+00           1.0000000        
F   1
  1      2.182900E+00           1.0000000        
G   1
  1      2.536600E+00           1.0000000        


name: cc-pwCVTZ-PP
description: TZ2P Pseudopotential weighted Core-Valence Triple Zeta + Polarization
elt: Kr
data:
KRYPTON
S   7
  1      9.707440E+03           5.970000E-04     
  2      1.463500E+03           4.129000E-03     
  3      3.276790E+02           1.345700E-02     
  4      5.242560E+01           7.507400E-02     
  5      1.885220E+01          -3.918980E-01     
  6      4.169280E+00           6.673520E-01     
  7      1.992660E+00           5.062680E-01     
S   7
  1      9.707440E+03          -2.650000E-04     
  2      1.463500E+03          -1.768000E-03     
  3      3.276790E+02          -6.201000E-03     
  4      5.242560E+01          -2.839900E-02     
  5      1.885220E+01           1.568790E-01     
  6      4.169280E+00          -3.648090E-01     
  7      1.992660E+00          -4.330440E-01     
S   1
  1      6.836950E-01           1.0000000        
S   1
  1      3.243380E-01           1.0000000        
S   1
  1      1.382090E-01           1.0000000        
S   1
  1      7.661700E+00           1.0000000        
S   1
  1      1.646000E+00           1.0000000        
P   9
  1      4.894570E+02           6.030000E-04     
  2      9.363950E+01           6.479000E-03     
  3      2.859210E+01          -8.927400E-02     
  4      7.898610E+00           3.394840E-01     
  5      3.815660E+00           5.150780E-01     
  6      1.810830E+00           2.468760E-01     
  7      7.417580E-01           2.183300E-02     
  8      2.957270E-01          -6.140000E-04     
  9      1.104530E-01           2.810000E-04     
P   9
  1      4.894570E+02          -2.110000E-04     
  2      9.363950E+01          -1.687000E-03     
  3      2.859210E+01           2.634400E-02     
  4      7.898610E+00          -1.186870E-01     
  5      3.815660E+00          -1.935790E-01     
  6      1.810830E+00          -7.444600E-02     
  7      7.417580E-01           3.647020E-01     
  8      2.957270E-01           5.564060E-01     
  9      1.104530E-01           2.557360E-01     
P   1
  1      9.094000E-01           1.0000000        
P   1
  1      1.416000E-01           1.0000000        
P   1
  1      1.129100E+01           1.0000000        
P   1
  1      2.438500E+00           1.0000000        
D   7
  1      3.778210E+02           1.434000E-03     
  2      1.148970E+02           1.462900E-02     
  3      4.694400E+01           7.109600E-02     
  4      2.055360E+01           1.835580E-01     
  5      9.371370E+00           3.229310E-01     
  6      4.282900E+00           3.770300E-01     
  7      1.917840E+00           2.568870E-01     
D   1
  1      7.763900E-01           1.0000000        
D   1
  1      2.956000E-01           1.0000000        
D   1
  1      4.692000E+00           1.0000000        
D   1
  1      2.092000E+00           1.0000000        
F   1
  1      6.746000E-01           1.0000000        
F   1
  1      9.353200E+00           1.0000000        
F   1
  1      2.509400E+00           1.0000000        
G   1
  1      2.873500E+00           1.0000000        


name: cc-pwCVTZ-PP
description: TZ2P Pseudopotential weighted Core-Valence Triple Zeta + Polarization
elt: Y
data:
YTTRIUM
S   9
  1    121.5550000              0.0003990        
  2     13.3508000             -0.0373740        
  3      8.3430400              0.2104080        
  4      5.2126200             -0.1742590        
  5      2.8482200             -0.4490590        
  6      0.7360920              0.7515460        
  7      0.3395250              0.5039130        
  8      0.0850000              0.0381900        
  9      0.0457190             -0.0168190        
S   9
  1    121.5550000             -0.0001380        
  2     13.3508000              0.0126550        
  3      8.3430400             -0.0725770        
  4      5.2126200              0.0689460        
  5      2.8482200              0.1410760        
  6      0.7360920             -0.3097690        
  7      0.3395250             -0.3640910        
  8      0.0850000              0.3089760        
  9      0.0457190              0.6183900        
S   9
  1    121.5550000             -0.0000250        
  2     13.3508000              0.0025120        
  3      8.3430400             -0.0493070        
  4      5.2126200             -0.0036710        
  5      2.8482200              0.3721140        
  6      0.7360920             -1.0040470        
  7      0.3395250             -0.0462620        
  8      0.0850000              2.7996160        
  9      0.0457190             -1.8967450        
S   9
  1    121.5550000              0.0003360        
  2     13.3508000             -0.0302260        
  3      8.3430400              0.0575900        
  4      5.2126200             -0.2202050        
  5      2.8482200              0.8124860        
  6      0.7360920             -2.9159010        
  7      0.3395250              2.9601310        
  8      0.0850000              0.3098150        
  9      0.0457190             -3.0151070        
S   1
  1      0.0217750              1.0000000        
S   1
  1      1.1595000              1.0000000        
S   1
  1      0.7248000              1.0000000        
P   8
  1     15.7057000             -0.0010080        
  2      9.8143400              0.0184510        
  3      3.9515200             -0.1533130        
  4      1.0287300              0.3882870        
  5      0.5203410              0.4715490        
  6      0.2628060              0.2442250        
  7      0.1191270              0.0374550        
  8      0.0532630              0.0009170        
P   8
  1     15.7057000             -0.0001460        
  2      9.8143400             -0.0045380        
  3      3.9515200              0.0466130        
  4      1.0287300             -0.1376680        
  5      0.5203410             -0.1888270        
  6      0.2628060             -0.1161280        
  7      0.1191270              0.3231850        
  8      0.0532630              0.6065240        
P   8
  1     15.7057000             -0.0006490        
  2      9.8143400              0.0126010        
  3      3.9515200             -0.1098480        
  4      1.0287300              0.3192010        
  5      0.5203410              0.8044380        
  6      0.2628060             -0.8756500        
  7      0.1191270             -1.0192500        
  8      0.0532630              0.9413270        
P   8
  1     15.7057000              0.0008090        
  2      9.8143400             -0.0150420        
  3      3.9515200              0.1388090        
  4      1.0287300             -0.6034190        
  5      0.5203410             -0.8228890        
  6      0.2628060              2.6576020        
  7      0.1191270             -1.8092190        
  8      0.0532630             -0.4174460        
P   1
  1      0.0233840              1.0000000        
P   1
  1      1.6502000              1.0000000        
P   1
  1      0.5105000              1.0000000        
D   7
  1     15.8535000              0.0009920        
  2      5.0818300             -0.0052340        
  3      1.4509500              0.0867890        
  4      0.6892770              0.2297090        
  5      0.3133420              0.3256070        
  6      0.1383830              0.3432860        
  7      0.0595550              0.2503880        
D   7
  1     15.8535000             -0.0010910        
  2      5.0818300              0.0056570        
  3      1.4509500             -0.1099010        
  4      0.6892770             -0.2902090        
  5      0.3133420             -0.3566240        
  6      0.1383830              0.0229490        
  7      0.0595550              0.5623060        
D   7
  1     15.8535000              0.0013370        
  2      5.0818300             -0.0069910        
  3      1.4509500              0.1521840        
  4      0.6892770              0.4617290        
  5      0.3133420              0.1555670        
  6      0.1383830             -0.9016730        
  7      0.0595550             -0.0617510        
D   1
  1      0.0245030              1.0000000        
D   1
  1      0.7588000              1.0000000        
D   1
  1      0.3575000              1.0000000        
F   1
  1      1.3325000              1.0000000        
F   1
  1      0.4418000              1.0000000        
F   1
  1      0.1248000              1.0000000        
G   1
  1      1.0034000              1.0000000        
G   1
  1      0.2769000              1.0000000        


name: cc-pwCVTZ-PP
description: TZ2P Pseudopotential weighted Core-Valence Triple Zeta + Polarization
elt: Pd
data:
PALLADIUM
S   9
  1    247.2020000              0.0006240        
  2     20.7937000             -0.0501980        
  3     13.0019000              0.2962420        
  4      8.1256200             -0.2640150        
  5      4.8884200             -0.5037150        
  6      1.3920600              0.8177430        
  7      0.6383820              0.4964090        
  8      0.1588280              0.0323180        
  9      0.0757930             -0.0110230        
S   9
  1    247.2020000             -0.0002000        
  2     20.7937000              0.0158670        
  3     13.0019000             -0.0968700        
  4      8.1256200              0.1017160        
  5      4.8884200              0.1434910        
  6      1.3920600             -0.3291740        
  7      0.6383820             -0.2996310        
  8      0.1588280              0.2591500        
  9      0.0757930              0.5993290        
S   9
  1    247.2020000             -0.0002890        
  2     20.7937000              0.0100490        
  3     13.0019000             -0.1055420        
  4      8.1256200              0.0255180        
  5      4.8884200              0.5196830        
  6      1.3920600             -1.4174220        
  7      0.6383820              0.4318030        
  8      0.1588280              1.8563460        
  9      0.0757930             -0.9626340        
S   9
  1    247.2020000             -0.0008060        
  2     20.7937000              0.0673350        
  3     13.0019000             -0.3972070        
  4      8.1256200              0.4583510        
  5      4.8884200              0.5570950        
  6      1.3920600             -3.2352070        
  7      0.6383820              3.4344500        
  8      0.1588280             -0.8478430        
  9      0.0757930             -1.3772410        
S   1
  1      0.0331840              1.0000000        
S   1
  1      2.0820000              1.0000000        
S   1
  1      1.3054000              1.0000000        
P   8
  1     24.8824000             -0.0017220        
  2     15.5517000              0.0315340        
  3      6.9234300             -0.2010620        
  4      1.9228600              0.4525720        
  5      0.9711910              0.4799470        
  6      0.4769190              0.2040450        
  7      0.1938660              0.0225170        
  8      0.0787920             -0.0006140        
P   8
  1     24.8824000             -0.0002120        
  2     15.5517000             -0.0068010        
  3      6.9234300              0.0539880        
  4      1.9228600             -0.1486710        
  5      0.9711910             -0.1667440        
  6      0.4769190             -0.0347260        
  7      0.1938660              0.3263210        
  8      0.0787920              0.5599760        
P   8
  1     24.8824000              0.0002580        
  2     15.5517000             -0.0165210        
  3      6.9234300              0.1208050        
  4      1.9228600             -0.3642750        
  5      0.9711910             -0.3807400        
  6      0.4769190              0.2890590        
  7      0.1938660              0.6824540        
  8      0.0787920              0.2585140        
P   8
  1     24.8824000              0.0034320        
  2     15.5517000             -0.0345360        
  3      6.9234300              0.2162500        
  4      1.9228600             -0.8692850        
  5      0.9711910             -0.2962990        
  6      0.4769190              1.5226960        
  7      0.1938660             -0.2638220        
  8      0.0787920             -0.7598920        
P   1
  1      0.0316530              1.0000000        
P   1
  1      3.4515000              1.0000000        
P   1
  1      1.1186000              1.0000000        
D   7
  1     29.0204000              0.0021720        
  2      6.4114900             -0.0479580        
  3      3.9973600              0.1033430        
  4      1.8874200              0.2932100        
  5      0.9132080              0.3716870        
  6      0.4256750              0.3064560        
  7      0.1877270              0.1666290        
D   7
  1     29.0204000             -0.0023520        
  2      6.4114900              0.0544140        
  3      3.9973600             -0.1263090        
  4      1.8874200             -0.3977950        
  5      0.9132080             -0.2964330        
  6      0.4256750              0.2617170        
  7      0.1877270              0.5376890        
D   7
  1     29.0204000              0.0037610        
  2      6.4114900             -0.0967630        
  3      3.9973600              0.2519190        
  4      1.8874200              0.7039300        
  5      0.9132080             -0.3283750        
  6      0.4256750             -0.8381000        
  7      0.1877270              0.3242530        
D   1
  1      0.0757900              1.0000000        
D   1
  1      3.7624000              1.0000000        
D   1
  1      1.2466000              1.0000000        
F   1
  1      4.3359000              1.0000000        
F   1
  1      1.6678000              1.0000000        
F   1
  1      0.6384000              1.0000000        
G   1
  1      3.1489000              1.0000000        
G   1
  1      1.3721000              1.0000000        


name: cc-pwCVTZ-PP
description: TZ2P Pseudopotential weighted Core-Valence Triple Zeta + Polarization
elt: Ag
data:
SILVER
S   9
  1    222.6450000              0.0007000        
  2     20.1725000             -0.0798090        
  3     12.7197000              0.4589790        
  4      8.0021100             -0.5218260        
  5      5.0205300             -0.4075440        
  6      1.5208500              0.8414580        
  7      0.6949200              0.4956480        
  8      0.1729330              0.0276600        
  9      0.0818970             -0.0086430        
S   9
  1    222.6450000             -0.0002080        
  2     20.1725000              0.0228050        
  3     12.7197000             -0.1373250        
  4      8.0021100              0.1730850        
  5      5.0205300              0.1057550        
  6      1.5208500             -0.3140630        
  7      0.6949200             -0.2985340        
  8      0.1729330              0.2313240        
  9      0.0818970              0.5969110        
S   9
  1    222.6450000             -0.0002500        
  2     20.1725000              0.0210250        
  3     12.7197000             -0.1682510        
  4      8.0021100              0.1442000        
  5      5.0205300              0.4139110        
  6      1.5208500             -1.1739400        
  7      0.6949200              0.1871810        
  8      0.1729330              1.7116850        
  9      0.0818970             -0.5350550        
S   9
  1    222.6450000             -0.0007140        
  2     20.1725000              0.0726550        
  3     12.7197000             -0.4696600        
  4      8.0021100              0.5845510        
  5      5.0205300              0.5663560        
  6      1.5208500             -3.2222430        
  7      0.6949200              3.1502630        
  8      0.1729330             -0.1517250        
  9      0.0818970             -1.9921310        
S   1
  1      0.0351900              1.0000000        
S   1
  1      2.2252000              1.0000000        
S   1
  1      1.3969000              1.0000000        
P   8
  1     22.0490000             -0.0058860        
  2     13.8356000              0.0763570        
  3      7.6299400             -0.2661720        
  4      2.1037200              0.4622010        
  5      1.0626200              0.4894950        
  6      0.5193830              0.2000890        
  7      0.2051990              0.0193450        
  8      0.0829790             -0.0007170        
P   8
  1     22.0490000              0.0005940        
  2     13.8356000             -0.0170800        
  3      7.6299400              0.0679410        
  4      2.1037200             -0.1427200        
  5      1.0626200             -0.1683930        
  6      0.5193830             -0.0329600        
  7      0.2051990              0.3267400        
  8      0.0829790              0.5580540        
P   8
  1     22.0490000              0.0022350        
  2     13.8356000             -0.0383630        
  3      7.6299400              0.1454190        
  4      2.1037200             -0.3278470        
  5      1.0626200             -0.3817440        
  6      0.5193830              0.2524550        
  7      0.2051990              0.6915130        
  8      0.0829790              0.2763110        
P   8
  1     22.0490000              0.0087290        
  2     13.8356000             -0.0828090        
  3      7.6299400              0.2865900        
  4      2.1037200             -0.8760860        
  5      1.0626200             -0.3443670        
  6      0.5193830              1.5334530        
  7      0.2051990             -0.2330540        
  8      0.0829790             -0.7471730        
P   1
  1      0.0331440              1.0000000        
P   1
  1      3.5359000              1.0000000        
P   1
  1      1.2402000              1.0000000        
D   7
  1     73.2665000              0.0004510        
  2     18.7729000              0.0059840        
  3     10.9237000             -0.0189680        
  4      3.0019700              0.1923860        
  5      1.4717700              0.3721720        
  6      0.6847640              0.3721880        
  7      0.3003970              0.2300660        
D   7
  1     73.2665000             -0.0006060        
  2     18.7729000             -0.0075860        
  3     10.9237000              0.0246380        
  4      3.0019700             -0.3135690        
  5      1.4717700             -0.5000300        
  6      0.6847640              0.1211390        
  7      0.3003970              0.5946850        
D   7
  1     73.2665000              0.0004890        
  2     18.7729000              0.0155170        
  3     10.9237000             -0.0470560        
  4      3.0019700              0.6569190        
  5      1.4717700              0.2238260        
  6      0.6847640             -1.1068170        
  7      0.3003970              0.1657200        
D   1
  1      0.1201550              1.0000000        
D   1
  1      4.4524000              1.0000000        
D   1
  1      1.5748000              1.0000000        
F   1
  1      4.8698000              1.0000000        
F   1
  1      1.8857000              1.0000000        
F   1
  1      0.7381000              1.0000000        
G   1
  1      3.4990000              1.0000000        
G   1
  1      1.5751000              1.0000000        


name: cc-pwCVTZ-PP
description: TZ2P Pseudopotential weighted Core-Valence Triple Zeta + Polarization
elt: Cd
data:
CADMIUM
S   9
  1    257.4970000              0.0007680        
  2     21.3546000             -0.0781940        
  3     13.4806000              0.4609280        
  4      8.4865100             -0.5362100        
  5      5.3255100             -0.4008230        
  6      1.6268600              0.8553620        
  7      0.7404690              0.4898680        
  8      0.1809330              0.0220290        
  9      0.0850960             -0.0083600        
S   9
  1    257.4970000             -0.0002310        
  2     21.3546000              0.0222790        
  3     13.4806000             -0.1382050        
  4      8.4865100              0.1777840        
  5      5.3255100              0.1056950        
  6      1.6268600             -0.3259540        
  7      0.7404690             -0.2993250        
  8      0.1809330              0.2821000        
  9      0.0850960              0.6020440        
S   9
  1    257.4970000              0.0004270        
  2     21.3546000             -0.0241760        
  3     13.4806000              0.2190290        
  4      8.4865100             -0.1984150        
  5      5.3255100             -0.5647670        
  6      1.6268600              1.8215160        
  7      0.7404690             -0.8098690        
  8      0.1809330             -1.9098510        
  9      0.0850960              1.4360880        
S   9
  1    257.4970000              0.0014390        
  2     21.3546000             -0.1719290        
  3     13.4806000              0.9499110        
  4      8.4865100             -1.5172470        
  5      5.3255100              0.1055120        
  6      1.6268600              3.3939830        
  7      0.7404690             -4.0474090        
  8      0.1809330              2.4869710        
  9      0.0850960             -0.5824690        
S   1
  1      0.0363840              1.0000000        
S   1
  1      2.3847000              1.0000000        
S   1
  1      1.4979000              1.0000000        
P   8
  1    243.1650000              0.0001130        
  2     13.9588000              0.0696720        
  3      8.3100100             -0.2536750        
  4      2.2020000              0.4824920        
  5      1.1007200              0.4845500        
  6      0.5359750              0.1796400        
  7      0.2136540              0.0152290        
  8      0.0854690             -0.0001880        
P   8
  1    243.1650000             -0.0000370        
  2     13.9588000             -0.0165070        
  3      8.3100100              0.0636620        
  4      2.2020000             -0.1465210        
  5      1.1007200             -0.1561870        
  6      0.5359750             -0.0273550        
  7      0.2136540              0.3226010        
  8      0.0854690              0.5566980        
P   8
  1    243.1650000             -0.0000610        
  2     13.9588000             -0.0330520        
  3      8.3100100              0.1255300        
  4      2.2020000             -0.3052730        
  5      1.1007200             -0.3223690        
  6      0.5359750              0.1819080        
  7      0.2136540              0.6863790        
  8      0.0854690              0.3216860        
P   8
  1    243.1650000             -0.0000860        
  2     13.9588000             -0.0719040        
  3      8.3100100              0.2712270        
  4      2.2020000             -0.9039590        
  5      1.1007200             -0.2760210        
  6      0.5359750              1.4946140        
  7      0.2136540             -0.2070140        
  8      0.0854690             -0.7304040        
P   1
  1      0.0338230              1.0000000        
P   1
  1      3.8946000              1.0000000        
P   1
  1      1.3110000              1.0000000        
D   7
  1     86.0666000              0.0004430        
  2     22.6386000              0.0050060        
  3     12.1384000             -0.0160770        
  4      3.4408100              0.1771520        
  5      1.7176100              0.3666560        
  6      0.8148490              0.3772260        
  7      0.3660070              0.2339200        
D   7
  1     86.0666000              0.0006330        
  2     22.6386000              0.0073050        
  3     12.1384000             -0.0238720        
  4      3.4408100              0.3340440        
  5      1.7176100              0.5448850        
  6      0.8148490             -0.1745820        
  7      0.3660070             -0.6047310        
D   7
  1     86.0666000             -0.0003260        
  2     22.6386000             -0.0146770        
  3     12.1384000              0.0459900        
  4      3.4408100             -0.6525580        
  5      1.7176100             -0.2130730        
  6      0.8148490              1.1468110        
  7      0.3660070             -0.2158710        
D   1
  1      0.1502820              1.0000000        
D   1
  1      5.0344000              1.0000000        
D   1
  1      1.8041000              1.0000000        
F   1
  1      5.5306000              1.0000000        
F   1
  1      2.1361000              1.0000000        
F   1
  1      0.8508000              1.0000000        
G   1
  1      3.8914000              1.0000000        
G   1
  1      1.8019000              1.0000000        


name: cc-pwCVTZ-PP
description: TZ2P Pseudopotential weighted Core-Valence Triple Zeta + Polarization
elt: In
data:
INDIUM
S   9
  1      2.378040E+03           9.200000E-05     
  2      3.609980E+02           4.790000E-04     
  3      4.563350E+01           1.257600E-02     
  4      2.851490E+01          -8.842200E-02     
  5      1.782200E+01           2.522560E-01     
  6      6.629900E+00          -7.190570E-01     
  7      1.709540E+00           8.596060E-01     
  8      7.984450E-01           4.740660E-01     
  9      4.354100E-02           1.771000E-03     
S   9
  1      2.378040E+03           2.800000E-05     
  2      3.609980E+02           1.990000E-04     
  3      4.563350E+01           1.835000E-03     
  4      2.851490E+01          -2.017700E-02     
  5      1.782200E+01           7.204600E-02     
  6      6.629900E+00          -2.449900E-01     
  7      1.709540E+00           3.932400E-01     
  8      7.984450E-01           3.284130E-01     
  9      4.354100E-02          -2.018870E-01     
S   1
  1      2.047370E-01           1.0000000        
S   1
  1      9.667700E-02           1.0000000        
S   1
  1      5.180000E-02           1.0000000        
S   1
  1      8.128000E-01           1.0000000        
S   1
  1      5.084000E-01           1.0000000        
P   9
  1      2.669020E+02           1.080000E-04     
  2      1.473120E+01           7.368400E-02     
  3      8.827790E+00          -2.642980E-01     
  4      2.359530E+00           4.947510E-01     
  5      1.175910E+00           4.936840E-01     
  6      5.675680E-01           1.638510E-01     
  7      2.129400E-01           1.008300E-02     
  8      8.280700E-02          -2.200000E-04     
  9      3.207700E-02           1.980000E-04     
P   9
  1      2.669020E+02          -3.200000E-05     
  2      1.473120E+01          -1.521000E-02     
  3      8.827790E+00           5.792200E-02     
  4      2.359530E+00          -1.300470E-01     
  5      1.175910E+00          -1.371410E-01     
  6      5.675680E-01          -2.873100E-02     
  7      2.129400E-01           3.016610E-01     
  8      8.280700E-02           5.566390E-01     
  9      3.207700E-02           2.912400E-01     
P   1
  1      2.640000E-01           1.0000000        
P   1
  1      4.160000E-02           1.0000000        
P   1
  1      3.312900E+00           1.0000000        
P   1
  1      6.797000E-01           1.0000000        
D   7
  1      1.172790E+02           2.810000E-04     
  2      3.268650E+01           2.478000E-03     
  3      1.319060E+01          -1.243900E-02     
  4      4.018210E+00           1.400700E-01     
  5      2.149480E+00           3.303050E-01     
  6      1.091260E+00           3.753580E-01     
  7      5.319410E-01           2.582690E-01     
D   1
  1      2.436870E-01           1.0000000        
D   1
  1      9.070000E-02           1.0000000        
D   1
  1      1.346100E+00           1.0000000        
D   1
  1      6.217000E-01           1.0000000        
F   1
  1      2.549000E-01           1.0000000        
F   1
  1      3.357500E+00           1.0000000        
F   1
  1      8.868000E-01           1.0000000        
G   1
  1      9.608000E-01           1.0000000        


name: cc-pwCVTZ-PP
description: TZ2P Pseudopotential weighted Core-Valence Triple Zeta + Polarization
elt: Sn
data:
TIN
S   9
  1      3.672400E+03           1.170000E-04     
  2      5.581430E+02           6.870000E-04     
  3      1.140890E+02           2.130000E-03     
  4      3.140060E+01          -3.766900E-02     
  5      1.963180E+01           1.591490E-01     
  6      6.772050E+00          -6.517540E-01     
  7      1.833510E+00           8.376920E-01     
  8      8.777150E-01           4.884260E-01     
  9      5.175700E-02           1.872000E-03     
S   9
  1      3.672400E+03           4.300000E-05     
  2      5.581430E+02           3.070000E-04     
  3      1.140890E+02           4.960000E-04     
  4      3.140060E+01          -9.105000E-03     
  5      1.963180E+01           4.989800E-02     
  6      6.772050E+00          -2.498540E-01     
  7      1.833510E+00           4.440970E-01     
  8      8.777150E-01           3.520250E-01     
  9      5.175700E-02          -1.655790E-01     
S   1
  1      2.373960E-01           1.0000000        
S   1
  1      1.120680E-01           1.0000000        
S   1
  1      6.380000E-02           1.0000000        
S   1
  1      1.520100E+00           1.0000000        
S   1
  1      9.539000E-01           1.0000000        
P   9
  1      2.169700E+02           2.260000E-04     
  2      2.091020E+01           2.291700E-02     
  3      8.796110E+00          -1.971460E-01     
  4      2.567370E+00           4.679170E-01     
  5      1.314510E+00           4.960430E-01     
  6      6.535910E-01           1.766100E-01     
  7      2.721500E-01           1.285000E-02     
  8      1.107360E-01           1.190000E-04     
  9      4.403400E-02           1.730000E-04     
P   9
  1      2.169700E+02          -8.100000E-05     
  2      2.091020E+01          -5.457000E-03     
  3      8.796110E+00           5.300500E-02     
  4      2.567370E+00          -1.546650E-01     
  5      1.314510E+00          -1.589400E-01     
  6      6.535910E-01          -4.970300E-02     
  7      2.721500E-01           3.271270E-01     
  8      1.107360E-01           5.670890E-01     
  9      4.403400E-02           2.642970E-01     
P   1
  1      3.451000E-01           1.0000000        
P   1
  1      5.680000E-02           1.0000000        
P   1
  1      3.897000E+00           1.0000000        
P   1
  1      8.804000E-01           1.0000000        
D   7
  1      1.302430E+02           3.190000E-04     
  2      3.677620E+01           2.678000E-03     
  3      1.463210E+01          -1.010900E-02     
  4      4.696950E+00           1.197680E-01     
  5      2.530780E+00           3.226000E-01     
  6      1.301740E+00           3.842380E-01     
  7      6.465750E-01           2.653580E-01     
D   1
  1      3.023160E-01           1.0000000        
D   1
  1      1.160000E-01           1.0000000        
D   1
  1      1.573900E+00           1.0000000        
D   1
  1      7.498000E-01           1.0000000        
F   1
  1      2.822000E-01           1.0000000        
F   1
  1      3.768200E+00           1.0000000        
F   1
  1      1.003300E+00           1.0000000        
G   1
  1      1.089600E+00           1.0000000        


name: cc-pwCVTZ-PP
description: TZ2P Pseudopotential weighted Core-Valence Triple Zeta + Polarization
elt: Sb
data:
ANTIMONY
S   9
  1      3.928330E+03           1.540000E-04     
  2      5.938890E+02           9.310000E-04     
  3      1.201850E+02           2.821000E-03     
  4      2.951400E+01          -5.531900E-02     
  5      1.844220E+01           2.433120E-01     
  6      7.475710E+00          -7.383240E-01     
  7      1.951360E+00           8.663100E-01     
  8      9.522580E-01           4.713110E-01     
  9      6.262800E-02           1.362000E-03     
S   9
  1      3.928330E+03           6.200000E-05     
  2      5.938890E+02           4.280000E-04     
  3      1.201850E+02           8.770000E-04     
  4      2.951400E+01          -1.571300E-02     
  5      1.844220E+01           8.300300E-02     
  6      7.475710E+00          -2.954330E-01     
  7      1.951360E+00           4.816030E-01     
  8      9.522580E-01           3.837680E-01     
  9      6.262800E-02          -1.674290E-01     
S   1
  1      2.879680E-01           1.0000000        
S   1
  1      1.363960E-01           1.0000000        
S   1
  1      7.640000E-02           1.0000000        
S   1
  1      1.747800E+00           1.0000000        
S   1
  1      1.096200E+00           1.0000000        
P   9
  1      2.104710E+02           2.640000E-04     
  2      1.614140E+01           7.990500E-02     
  3      9.825300E+00          -2.769490E-01     
  4      2.752670E+00           4.836600E-01     
  5      1.421480E+00           5.006970E-01     
  6      7.162460E-01           1.665980E-01     
  7      3.202050E-01           1.196900E-02     
  8      1.350880E-01           2.790000E-04     
  9      5.513000E-02          -5.000000E-06     
P   9
  1      2.104710E+02          -1.020000E-04     
  2      1.614140E+01          -2.176100E-02     
  3      9.825300E+00           8.066100E-02     
  4      2.752670E+00          -1.746280E-01     
  5      1.421480E+00          -1.841540E-01     
  6      7.162460E-01          -5.347200E-02     
  7      3.202050E-01           3.583120E-01     
  8      1.350880E-01           5.683580E-01     
  9      5.513000E-02           2.383430E-01     
P   1
  1      4.332000E-01           1.0000000        
P   1
  1      7.372000E-02           1.0000000        
P   1
  1      4.652100E+00           1.0000000        
P   1
  1      1.085800E+00           1.0000000        
D   7
  1      1.357750E+02           3.830000E-04     
  2      3.877460E+01           3.035000E-03     
  3      1.349220E+01          -1.146600E-02     
  4      5.083270E+00           1.159020E-01     
  5      2.789580E+00           3.212690E-01     
  6      1.461590E+00           3.870740E-01     
  7      7.408450E-01           2.624240E-01     
D   1
  1      3.531300E-01           1.0000000        
D   1
  1      1.393000E-01           1.0000000        
D   1
  1      1.763700E+00           1.0000000        
D   1
  1      8.672000E-01           1.0000000        
F   1
  1      3.244000E-01           1.0000000        
F   1
  1      4.116600E+00           1.0000000        
F   1
  1      1.128700E+00           1.0000000        
G   1
  1      1.235300E+00           1.0000000        


name: cc-pwCVTZ-PP
description: TZ2P Pseudopotential weighted Core-Valence Triple Zeta + Polarization
elt: Te
data:
TELLURIUM
S   9
  1      5.324980E+03           2.030000E-04     
  2      8.036740E+02           1.312000E-03     
  3      1.751460E+02           3.822000E-03     
  4      2.961820E+01          -4.524700E-02     
  5      1.853440E+01           2.468860E-01     
  6      7.961500E+00          -7.501600E-01     
  7      2.065390E+00           8.794950E-01     
  8      1.024570E+00           4.581140E-01     
  9      7.201900E-02           1.090000E-03     
S   9
  1      5.324980E+03          -9.300000E-05     
  2      8.036740E+02          -6.440000E-04     
  3      1.751460E+02          -1.620000E-03     
  4      2.961820E+01           1.229500E-02     
  5      1.853440E+01          -8.838600E-02     
  6      7.961500E+00           3.181100E-01     
  7      2.065390E+00          -5.307770E-01     
  8      1.024570E+00          -3.968780E-01     
  9      7.201900E-02           1.561030E-01     
S   1
  1      3.338430E-01           1.0000000        
S   1
  1      1.578110E-01           1.0000000        
S   1
  1      8.840000E-02           1.0000000        
S   1
  1      1.975200E+00           1.0000000        
S   1
  1      1.239000E+00           1.0000000        
P   9
  1      1.937750E+02           4.000000E-04     
  2      1.755080E+01           6.860800E-02     
  3      1.019510E+01          -2.665700E-01     
  4      2.973770E+00           4.735330E-01     
  5      1.556470E+00           5.102310E-01     
  6      7.875460E-01           1.675130E-01     
  7      3.684730E-01           1.174100E-02     
  8      1.542730E-01           1.171000E-03     
  9      6.190500E-02           7.500000E-05     
P   9
  1      1.937750E+02          -1.670000E-04     
  2      1.755080E+01          -2.007600E-02     
  3      1.019510E+01           8.448100E-02     
  4      2.973770E+00          -1.888350E-01     
  5      1.556470E+00          -2.053640E-01     
  6      7.875460E-01          -5.073900E-02     
  7      3.684730E-01           3.853020E-01     
  8      1.542730E-01           5.591880E-01     
  9      6.190500E-02           2.313120E-01     
P   1
  1      5.043000E-01           1.0000000        
P   1
  1      8.150000E-02           1.0000000        
P   1
  1      4.781100E+00           1.0000000        
P   1
  1      1.239500E+00           1.0000000        
D   7
  1      1.426170E+02           4.610000E-04     
  2      4.106050E+01           3.535000E-03     
  3      1.306220E+01          -1.183500E-02     
  4      5.725150E+00           1.059670E-01     
  5      3.133810E+00           3.189520E-01     
  6      1.656820E+00           3.923070E-01     
  7      8.515750E-01           2.640890E-01     
D   1
  1      4.121280E-01           1.0000000        
D   1
  1      1.651000E-01           1.0000000        
D   1
  1      1.979900E+00           1.0000000        
D   1
  1      1.002000E+00           1.0000000        
F   1
  1      3.494000E-01           1.0000000        
F   1
  1      4.476500E+00           1.0000000        
F   1
  1      1.243600E+00           1.0000000        
G   1
  1      1.388100E+00           1.0000000        


name: cc-pwCVTZ-PP
description: TZ2P Pseudopotential weighted Core-Valence Triple Zeta + Polarization
elt: I
data:
IODINE
S   9
  1      5.546500E+03           1.560000E-04     
  2      8.382140E+02           9.860000E-04     
  3      1.821870E+02           2.792000E-03     
  4      3.121230E+01          -4.325100E-02     
  5      1.953140E+01           2.341340E-01     
  6      8.240990E+00          -7.509430E-01     
  7      2.194550E+00           8.829680E-01     
  8      1.109110E+00           4.620610E-01     
  9      8.106100E-02           1.102000E-03     
S   9
  1      5.546500E+03          -7.300000E-05     
  2      8.382140E+02          -5.080000E-04     
  3      1.821870E+02          -1.158000E-03     
  4      3.121230E+01           1.219300E-02     
  5      1.953140E+01          -8.785400E-02     
  6      8.240990E+00           3.382000E-01     
  7      2.194550E+00          -5.765500E-01     
  8      1.109110E+00          -4.092980E-01     
  9      8.106100E-02           1.432310E-01     
S   1
  1      3.746410E-01           1.0000000        
S   1
  1      1.770800E-01           1.0000000        
S   1
  1      1.001000E-01           1.0000000        
S   1
  1      2.176700E+00           1.0000000        
S   1
  1      1.366100E+00           1.0000000        
P   9
  1      1.889880E+02           5.850000E-04     
  2      2.128680E+01           3.692300E-02     
  3      1.003960E+01          -2.353240E-01     
  4      3.451800E+00           3.414830E-01     
  5      1.974560E+00           5.347880E-01     
  6      1.024200E+00           2.651410E-01     
  7      4.494370E-01           2.578700E-02     
  8      1.866480E-01           5.220000E-04     
  9      7.348100E-02           6.060000E-04     
P   9
  1      1.889880E+02          -2.560000E-04     
  2      2.128680E+01          -1.168200E-02     
  3      1.003960E+01           8.319200E-02     
  4      3.451800E+00          -1.569700E-01     
  5      1.974560E+00          -2.245180E-01     
  6      1.024200E+00          -1.144510E-01     
  7      4.494370E-01           3.753560E-01     
  8      1.866480E-01           5.751360E-01     
  9      7.348100E-02           2.459170E-01     
P   1
  1      5.981000E-01           1.0000000        
P   1
  1      9.618000E-02           1.0000000        
P   1
  1      4.953000E+00           1.0000000        
P   1
  1      1.424300E+00           1.0000000        
D   7
  1      1.326620E+02           5.720000E-04     
  2      3.760540E+01           4.402000E-03     
  3      1.038910E+01          -4.092200E-02     
  4      6.490170E+00           9.966100E-02     
  5      3.454510E+00           3.226630E-01     
  6      1.844130E+00           4.003430E-01     
  7      9.624780E-01           2.683060E-01     
D   1
  1      4.728530E-01           1.0000000        
D   1
  1      1.932000E-01           1.0000000        
D   1
  1      2.277300E+00           1.0000000        
D   1
  1      1.101000E+00           1.0000000        
F   1
  1      4.064000E-01           1.0000000        
F   1
  1      4.867100E+00           1.0000000        
F   1
  1      1.392500E+00           1.0000000        
G   1
  1      1.544400E+00           1.0000000        


name: cc-pwCVTZ-PP
description: TZ2P Pseudopotential weighted Core-Valence Triple Zeta + Polarization
elt: Xe
data:
XENON
S   9
  1      6.456400E+03           2.500000E-04     
  2      9.740610E+02           1.630000E-03     
  3      2.144290E+02           4.733000E-03     
  4      3.133080E+01          -3.369900E-02     
  5      1.961300E+01           2.439310E-01     
  6      8.886090E+00          -7.646530E-01     
  7      2.325080E+00           9.007940E-01     
  8      1.184220E+00           4.415130E-01     
  9      9.217800E-02           8.510000E-04     
S   9
  1      6.456400E+03          -1.300000E-04     
  2      9.740610E+02          -8.850000E-04     
  3      2.144290E+02          -2.358000E-03     
  4      3.133080E+01           7.291000E-03     
  5      1.961300E+01          -9.263900E-02     
  6      8.886090E+00           3.537950E-01     
  7      2.325080E+00          -6.158300E-01     
  8      1.184220E+00          -4.130600E-01     
  9      9.217800E-02           1.423370E-01     
S   1
  1      4.268540E-01           1.0000000        
S   1
  1      2.016450E-01           1.0000000        
S   1
  1      1.143000E-01           1.0000000        
S   1
  1      2.444900E+00           1.0000000        
S   1
  1      1.535200E+00           1.0000000        
P   9
  1      1.911700E+02           7.650000E-04     
  2      2.251780E+01           3.695200E-02     
  3      1.006040E+01          -2.806880E-01     
  4      5.557620E+00           1.427170E-01     
  5      2.696250E+00           6.356540E-01     
  6      1.307640E+00           3.932570E-01     
  7      5.306750E-01           4.105600E-02     
  8      2.224610E-01          -2.251000E-03     
  9      8.688100E-02           7.740000E-04     
P   9
  1      1.911700E+02          -3.290000E-04     
  2      2.251780E+01          -1.278100E-02     
  3      1.006040E+01           1.082740E-01     
  4      5.557620E+00          -7.205100E-02     
  5      2.696250E+00          -2.845800E-01     
  6      1.307640E+00          -1.852050E-01     
  7      5.306750E-01           3.583360E-01     
  8      2.224610E-01           5.883940E-01     
  9      8.688100E-02           2.572450E-01     
P   1
  1      6.953000E-01           1.0000000        
P   1
  1      1.135000E-01           1.0000000        
P   1
  1      5.323800E+00           1.0000000        
P   1
  1      1.625100E+00           1.0000000        
D   7
  1      1.429710E+02           7.360000E-04     
  2      4.130570E+01           5.372000E-03     
  3      1.092220E+01          -2.882700E-02     
  4      6.824080E+00           1.199100E-01     
  5      3.666960E+00           3.324640E-01     
  6      1.982890E+00           3.892090E-01     
  7      1.053990E+00           2.483590E-01     
D   1
  1      5.299030E-01           1.0000000        
D   1
  1      2.192000E-01           1.0000000        
D   1
  1      2.520100E+00           1.0000000        
D   1
  1      1.254800E+00           1.0000000        
F   1
  1      4.779000E-01           1.0000000        
F   1
  1      5.615800E+00           1.0000000        
F   1
  1      1.614800E+00           1.0000000        
G   1
  1      1.753000E+00           1.0000000        


name: cc-pwCVTZ-PP
description: TZ2P Pseudopotential weighted Core-Valence Triple Zeta + Polarization
elt: Hf
data:
HAFNIUM
S   9
  1     26.5042000              0.0320170        
  2     16.5840000             -0.2583380        
  3     10.3831000              0.7419580        
  4      6.4955000             -0.5972460        
  5      3.4643100             -0.4674330        
  6      0.9862000              0.7814380        
  7      0.4578280              0.5337560        
  8      0.1321180              0.0363800        
  9      0.0669670             -0.0136480        
S   9
  1     26.5042000             -0.0092200        
  2     16.5840000              0.0766750        
  3     10.3831000             -0.2256410        
  4      6.4955000              0.1855680        
  5      3.4643100              0.1565490        
  6      0.9862000             -0.3114170        
  7      0.4578280             -0.3945230        
  8      0.1321180              0.2034830        
  9      0.0669670              0.6862960        
S   9
  1     26.5042000             -0.0051870        
  2     16.5840000              0.0780690        
  3     10.3831000             -0.2633410        
  4      6.4955000              0.1631730        
  5      3.4643100              0.4121450        
  6      0.9862000             -0.9279190        
  7      0.4578280             -0.3552850        
  8      0.1321180              2.5901110        
  9      0.0669670             -1.2877130        
S   9
  1     26.5042000              0.0266200        
  2     16.5840000             -0.0510920        
  3     10.3831000             -0.0133860        
  4      6.4955000             -0.2493960        
  5      3.4643100              1.1377230        
  6      0.9862000             -3.2919740        
  7      0.4578280              3.0952960        
  8      0.1321180              0.5233810        
  9      0.0669670             -2.9817690        
S   1
  1      0.0290100              1.0000000        
S   1
  1      1.2925000              1.0000000        
S   1
  1      0.8085000              1.0000000        
P   8
  1     15.2724000             -0.0249160        
  2      9.5703500              0.1349670        
  3      5.0361800             -0.3145280        
  4      1.1521500              0.4766040        
  5      0.5624010              0.4841910        
  6      0.2742040              0.1844940        
  7      0.1205050              0.0186390        
  8      0.0528120              0.0015040        
P   8
  1     15.2724000              0.0066140        
  2      9.5703500             -0.0369260        
  3      5.0361800              0.0887770        
  4      1.1521500             -0.1514170        
  5      0.5624010             -0.2041520        
  6      0.2742040             -0.0401350        
  7      0.1205050              0.3663260        
  8      0.0528120              0.5626960        
P   8
  1     15.2724000              0.0094170        
  2      9.5703500             -0.0530870        
  3      5.0361800              0.1282870        
  4      1.1521500             -0.2170080        
  5      0.5624010             -0.3251220        
  6      0.2742040             -0.0046510        
  7      0.1205050              0.7343430        
  8      0.0528120              0.3849980        
P   8
  1     15.2724000              0.0190460        
  2      9.5703500             -0.1039530        
  3      5.0361800              0.2510270        
  4      1.1521500             -0.5289630        
  5      0.5624010             -0.8006570        
  6      0.2742040              1.6510980        
  7      0.1205050              0.1195080        
  8      0.0528120             -0.9590230        
P   1
  1      0.0228910              1.0000000        
P   1
  1      1.6107000              1.0000000        
P   1
  1      0.5841000              1.0000000        
D   7
  1     11.9756000             -0.0014780        
  2      7.4799800              0.0187080        
  3      4.6738300             -0.0580870        
  4      1.1750300              0.1823340        
  5      0.5283500              0.3486640        
  6      0.2277570              0.3933500        
  7      0.0941690              0.2772230        
D   7
  1     11.9756000              0.0012390        
  2      7.4799800             -0.0202160        
  3      4.6738300              0.0669450        
  4      1.1750300             -0.2392560        
  5      0.5283500             -0.4736770        
  6      0.2277570             -0.0843030        
  7      0.0941690              0.6333300        
D   7
  1     11.9756000             -0.0031330        
  2      7.4799800              0.0334770        
  3      4.6738300             -0.1038090        
  4      1.1750300              0.4716820        
  5      0.5283500              0.5191890        
  6      0.2277570             -1.0917460        
  7      0.0941690              0.0084120        
D   1
  1      0.0366310              1.0000000        
D   1
  1      1.9912000              1.0000000        
D   1
  1      0.5380000              1.0000000        
F   1
  1      1.2099000              1.0000000        
F   1
  1      0.5106000              1.0000000        
F   1
  1      0.1605000              1.0000000        
G   1
  1      1.1923000              1.0000000        
G   1
  1      0.3579000              1.0000000        


name: cc-pwCVTZ-PP
description: TZ2P Pseudopotential weighted Core-Valence Triple Zeta + Polarization
elt: Ta
data:
TANTALUM
S   9
  1     27.1236000              0.0310530        
  2     16.9695000             -0.2562460        
  3     10.6228000              0.7537040        
  4      6.6449300             -0.6221810        
  5      3.5948000             -0.4709360        
  6      1.0504400              0.7957440        
  7      0.4928350              0.5320760        
  8      0.1487360              0.0359520        
  9      0.0722280             -0.0130440        
S   9
  1     27.1236000             -0.0090380        
  2     16.9695000              0.0776200        
  3     10.6228000             -0.2351160        
  4      6.6449300              0.1985680        
  5      3.5948000              0.1643530        
  6      1.0504400             -0.3367730        
  7      0.4928350             -0.3948460        
  8      0.1487360              0.2230040        
  9      0.0722280              0.6886390        
S   9
  1     27.1236000             -0.0036940        
  2     16.9695000              0.0741990        
  3     10.6228000             -0.2667320        
  4      6.6449300              0.1638740        
  5      3.5948000              0.4542910        
  6      1.0504400             -1.0387690        
  7      0.4928350             -0.2840230        
  8      0.1487360              2.4631730        
  9      0.0722280             -1.1724650        
S   9
  1     27.1236000              0.0199390        
  2     16.9695000             -0.0119830        
  3     10.6228000             -0.1263190        
  4      6.6449300             -0.1072520        
  5      3.5948000              1.0858150        
  6      1.0504400             -3.3698120        
  7      0.4928350              3.2164070        
  8      0.1487360              0.3284360        
  9      0.0722280             -2.7861580        
S   1
  1      0.0309970              1.0000000        
S   1
  1      1.3959000              1.0000000        
S   1
  1      0.8735000              1.0000000        
P   8
  1     15.5273000             -0.0247840        
  2      9.7259300              0.1412710        
  3      5.2380300             -0.3273280        
  4      1.2270200              0.4834390        
  5      0.6053810              0.4839520        
  6      0.2963140              0.1812620        
  7      0.1305110              0.0183560        
  8      0.0571160              0.0014010        
P   8
  1     15.5273000              0.0068180        
  2      9.7259300             -0.0402940        
  3      5.2380300              0.0966590        
  4      1.2270200             -0.1633710        
  5      0.6053810             -0.2142180        
  6      0.2963140             -0.0232540        
  7      0.1305110              0.3814550        
  8      0.0571160              0.5524390        
P   8
  1     15.5273000              0.0100470        
  2      9.7259300             -0.0601510        
  3      5.2380300              0.1452770        
  4      1.2270200             -0.2448290        
  5      0.6053810             -0.3637170        
  6      0.2963140              0.0650640        
  7      0.1305110              0.7639420        
  8      0.0571160              0.3237320        
P   8
  1     15.5273000              0.0206680        
  2      9.7259300             -0.1177830        
  3      5.2380300              0.2832870        
  4      1.2270200             -0.6451770        
  5      0.6053810             -0.6698480        
  6      0.2963140              1.6952860        
  7      0.1305110             -0.0513130        
  8      0.0571160             -0.8985720        
P   1
  1      0.0246790              1.0000000        
P   1
  1      1.7118000              1.0000000        
P   1
  1      0.6692000              1.0000000        
D   7
  1     12.1917000             -0.0017560        
  2      7.6161300              0.0229090        
  3      4.7595400             -0.0715900        
  4      1.2759000              0.1997750        
  5      0.5929460              0.3628730        
  6      0.2642870              0.3846300        
  7      0.1124950              0.2504110        
D   7
  1     12.1917000              0.0014680        
  2      7.6161300             -0.0248100        
  3      4.7595400              0.0829610        
  4      1.2759000             -0.2725710        
  5      0.5929460             -0.4890720        
  6      0.2642870             -0.0016350        
  7      0.1124950              0.6453820        
D   7
  1     12.1917000             -0.0034800        
  2      7.6161300              0.0408190        
  3      4.7595400             -0.1314870        
  4      1.2759000              0.5878110        
  5      0.5929460              0.4024980        
  6      0.2642870             -1.1685840        
  7      0.1124950              0.1607410        
D   1
  1      0.0447800              1.0000000        
D   1
  1      2.1877000              1.0000000        
D   1
  1      0.6285000              1.0000000        
F   1
  1      1.3546000              1.0000000        
F   1
  1      0.6142000              1.0000000        
F   1
  1      0.2086000              1.0000000        
G   1
  1      1.4250000              1.0000000        
G   1
  1      0.4780000              1.0000000        


name: cc-pwCVTZ-PP
description: TZ2P Pseudopotential weighted Core-Valence Triple Zeta + Polarization
elt: W
data:
TUNGSTEN
S   9
  1     28.3881000              0.0286980        
  2     17.7568000             -0.2410370        
  3     11.1120000              0.7152180        
  4      6.9493400             -0.5713300        
  5      3.8150600             -0.5072560        
  6      1.1124900              0.8128760        
  7      0.5254010              0.5252410        
  8      0.1615290              0.0346380        
  9      0.0764090             -0.0129350        
S   9
  1     28.3881000             -0.0084840        
  2     17.7568000              0.0745440        
  3     11.1120000             -0.2285180        
  4      6.9493400              0.1874400        
  5      3.8150600              0.1806120        
  6      1.1124900             -0.3615620        
  7      0.5254010             -0.3873630        
  8      0.1615290              0.2480770        
  9      0.0764090              0.6828620        
S   9
  1     28.3881000             -0.0018080        
  2     17.7568000              0.0639220        
  3     11.1120000             -0.2421830        
  4      6.9493400              0.1239880        
  5      3.8150600              0.5003090        
  6      1.1124900             -1.1225650        
  7      0.5254010             -0.1993080        
  8      0.1615290              2.3607790        
  9      0.0764090             -1.1023500        
S   9
  1     28.3881000              0.0138380        
  2     17.7568000              0.0202260        
  3     11.1120000             -0.2093720        
  4      6.9493400             -0.0130360        
  5      3.8150600              1.0461320        
  6      1.1124900             -3.4415170        
  7      0.5254010              3.3512290        
  8      0.1615290              0.1364630        
  9      0.0764090             -2.6080750        
S   1
  1      0.0326700              1.0000000        
S   1
  1      1.4974000              1.0000000        
S   1
  1      0.9373000              1.0000000        
P   8
  1     16.5554000             -0.0252630        
  2     10.3744000              0.1409610        
  3      5.5219000             -0.3299160        
  4      1.2890200              0.5017200        
  5      0.6355960              0.4805660        
  6      0.3096450              0.1689050        
  7      0.1370120              0.0157270        
  8      0.0599380              0.0014690        
P   8
  1     16.5554000              0.0071290        
  2     10.3744000             -0.0411130        
  3      5.5219000              0.0996190        
  4      1.2890200             -0.1760570        
  5      0.6355960             -0.2167410        
  6      0.3096450             -0.0011430        
  7      0.1370120              0.3928970        
  8      0.0599380              0.5406250        
P   8
  1     16.5554000              0.0109680        
  2     10.3744000             -0.0640750        
  3      5.5219000              0.1564780        
  4      1.2890200             -0.2790200        
  5      0.6355960             -0.3897030        
  6      0.3096450              0.1566280        
  7      0.1370120              0.7687580        
  8      0.0599380              0.2655370        
P   8
  1     16.5554000              0.0221780        
  2     10.3744000             -0.1230550        
  3      5.5219000              0.2995730        
  4      1.2890200             -0.7580510        
  5      0.6355960             -0.4980530        
  6      0.3096450              1.7176990        
  7      0.1370120             -0.2467290        
  8      0.0599380             -0.8204790        
P   1
  1      0.0258750              1.0000000        
P   1
  1      1.8438000              1.0000000        
P   1
  1      0.7286000              1.0000000        
D   7
  1     13.6383000             -0.0026060        
  2      8.5173400              0.0290880        
  3      5.3232800             -0.0831780        
  4      1.3931900              0.2105050        
  5      0.6543070              0.3794490        
  6      0.2943900              0.3825380        
  7      0.1257220              0.2279060        
D   7
  1     13.6383000              0.0025740        
  2      8.5173400             -0.0333260        
  3      5.3232800              0.1006620        
  4      1.3931900             -0.3117890        
  5      0.6543070             -0.5101020        
  6      0.2943900              0.1043210        
  7      0.1257220              0.6647930        
D   7
  1     13.6383000              0.0068120        
  2      8.5173400             -0.0594810        
  3      5.3232800              0.1659640        
  4      1.3931900             -0.7073810        
  5      0.6543070             -0.2548900        
  6      0.2943900              1.2651180        
  7      0.1257220             -0.4506990        
D   1
  1      0.0497170              1.0000000        
D   1
  1      2.4258000              1.0000000        
D   1
  1      0.7093000              1.0000000        
F   1
  1      1.5127000              1.0000000        
F   1
  1      0.7181000              1.0000000        
F   1
  1      0.2560000              1.0000000        
G   1
  1      1.6843000              1.0000000        
G   1
  1      0.6205000              1.0000000        


name: cc-pwCVTZ-PP
description: TZ2P Pseudopotential weighted Core-Valence Triple Zeta + Polarization
elt: Re
data:
RHENIUM
S   9
  1     30.4120000              0.0229870        
  2     19.0142000             -0.1976360        
  3     11.8921000              0.5813760        
  4      7.4336100             -0.3840040        
  5      4.1811300             -0.6002800        
  6      1.1685700              0.8264270        
  7      0.5539770              0.5102290        
  8      0.1707810              0.0365510        
  9      0.0792870             -0.0087660        
S   9
  1     30.4120000             -0.0072090        
  2     19.0142000              0.0645740        
  3     11.8921000             -0.1963520        
  4      7.4336100              0.1354270        
  5      4.1811300              0.2175540        
  6      1.1685700             -0.3902690        
  7      0.5539770             -0.3723360        
  8      0.1707810              0.2672200        
  9      0.0792870              0.6716710        
S   9
  1     30.4120000              0.0008190        
  2     19.0142000              0.0437380        
  3     11.8921000             -0.1772190        
  4      7.4336100              0.0197240        
  5      4.1811300              0.5658650        
  6      1.1685700             -1.1960450        
  7      0.5539770             -0.0926010        
  8      0.1707810              2.2639340        
  9      0.0792870             -1.0605870        
S   9
  1     30.4120000             -0.0059360        
  2     19.0142000             -0.0062770        
  3     11.8921000              0.0754730        
  4      7.4336100              0.0512310        
  5      4.1811300             -0.5040200        
  6      1.1685700              1.6252170        
  7      0.5539770             -1.6511890        
  8      0.1707810              0.1479060        
  9      0.0792870              0.9643860        
S   1
  1      0.0339090              1.0000000        
S   1
  1      1.5774000              1.0000000        
S   1
  1      0.9879000              1.0000000        
P   8
  1     18.3488000             -0.0168770        
  2     11.4877000              0.0929150        
  3      5.4325600             -0.2914010        
  4      1.3785900              0.4982270        
  5      0.6887660              0.4796070        
  6      0.3380830              0.1752920        
  7      0.1491600              0.0173410        
  8      0.0643210              0.0013480        
P   8
  1     18.3488000              0.0046080        
  2     11.4877000             -0.0268720        
  3      5.4325600              0.0889710        
  4      1.3785900             -0.1794810        
  5      0.6887660             -0.2111050        
  6      0.3380830             -0.0043780        
  7      0.1491600              0.3822050        
  8      0.0643210              0.5438540        
P   8
  1     18.3488000              0.0073690        
  2     11.4877000             -0.0437140        
  3      5.4325600              0.1463200        
  4      1.3785900             -0.3009630        
  5      0.6887660             -0.4000020        
  6      0.3380830              0.1900900        
  7      0.1491600              0.7604950        
  8      0.0643210              0.2562560        
P   8
  1     18.3488000              0.0150340        
  2     11.4877000             -0.0837840        
  3      5.4325600              0.2804860        
  4      1.3785900             -0.8342650        
  5      0.6887660             -0.4202230        
  6      0.3380830              1.7104440        
  7      0.1491600             -0.3011560        
  8      0.0643210             -0.7920800        
P   1
  1      0.0273440              1.0000000        
P   1
  1      2.0752000              1.0000000        
P   1
  1      0.7985000              1.0000000        
D   7
  1     13.8248000             -0.0010140        
  2      8.6358600              0.0200690        
  3      5.3969500             -0.0709260        
  4      1.4943200              0.2136340        
  5      0.7134790              0.3740960        
  6      0.3249100              0.3691180        
  7      0.1398360              0.2324990        
D   7
  1     13.8248000              0.0014410        
  2      8.6358600             -0.0233020        
  3      5.3969500              0.0813920        
  4      1.4943200             -0.2826220        
  5      0.7134790             -0.4844350        
  6      0.3249100              0.0772300        
  7      0.1398360              0.6339580        
D   7
  1     13.8248000             -0.0008920        
  2      8.6358600              0.0318260        
  3      5.3969500             -0.1289560        
  4      1.4943200              0.6891180        
  5      0.7134790              0.2530110        
  6      0.3249100             -1.1068680        
  7      0.1398360              0.1625610        
D   1
  1      0.0555530              1.0000000        
D   1
  1      2.5797000              1.0000000        
D   1
  1      0.7887000              1.0000000        
F   1
  1      1.6543000              1.0000000        
F   1
  1      0.8088000              1.0000000        
F   1
  1      0.2939000              1.0000000        
G   1
  1      1.8871000              1.0000000        
G   1
  1      0.7368000              1.0000000        


name: cc-pwCVTZ-PP
description: TZ2P Pseudopotential weighted Core-Valence Triple Zeta + Polarization
elt: Os
data:
OSMIUM
S   9
  1     32.3055000              0.0197370        
  2     20.1934000             -0.1722810        
  3     12.6258000              0.5020590        
  4      7.8902100             -0.2729310        
  5      4.4618300             -0.6628560        
  6      1.2361300              0.8403110        
  7      0.5888300              0.5041200        
  8      0.1832610              0.0360460        
  9      0.0839720             -0.0077430        
S   9
  1     32.3055000             -0.0065050        
  2     20.1934000              0.0585150        
  3     12.6258000             -0.1762530        
  4      7.8902100              0.1041850        
  5      4.4618300              0.2405050        
  6      1.2361300             -0.4093240        
  7      0.5888300             -0.3607630        
  8      0.1832610              0.2734870        
  9      0.0839720              0.6639500        
S   9
  1     32.3055000              0.0032420        
  2     20.1934000              0.0321220        
  3     12.6258000             -0.1472230        
  4      7.8902100             -0.0521880        
  5      4.4618300              0.6858550        
  6      1.2361300             -1.4787110        
  7      0.5888300              0.1833530        
  8      0.1832610              2.2357940        
  9      0.0839720             -1.2321000        
S   9
  1     32.3055000              0.0069550        
  2     20.1934000              0.0417920        
  3     12.6258000             -0.2181670        
  4      7.8902100             -0.1049580        
  5      4.4618300              1.2105800        
  6      1.2361300             -4.1259100        
  7      0.5888300              4.5902800        
  8      0.1832610             -1.6062050        
  9      0.0839720             -0.9747310        
S   1
  1      0.0358740              1.0000000        
S   1
  1      1.6545000              1.0000000        
S   1
  1      1.0367000              1.0000000        
P   8
  1     19.5631000             -0.0147080        
  2     12.2451000              0.0813650        
  3      5.5534200             -0.2865920        
  4      1.4628400              0.5046710        
  5      0.7345370              0.4803480        
  6      0.3605750              0.1720070        
  7      0.1566910              0.0167790        
  8      0.0663330              0.0010290        
P   8
  1     19.5631000              0.0038110        
  2     12.2451000             -0.0227510        
  3      5.5534200              0.0856230        
  4      1.4628400             -0.1797460        
  5      0.7345370             -0.2015160        
  6      0.3605750             -0.0014850        
  7      0.1566910              0.3717870        
  8      0.0663330              0.5436820        
P   8
  1     19.5631000              0.0068020        
  2     12.2451000             -0.0412110        
  3      5.5534200              0.1569900        
  4      1.4628400             -0.3433910        
  5      0.7345370             -0.4303710        
  6      0.3605750              0.2960230        
  7      0.1566910              0.7536120        
  8      0.0663330              0.1966590        
P   8
  1     19.5631000              0.0137510        
  2     12.2451000             -0.0773820        
  3      5.5534200              0.2953390        
  4      1.4628400             -0.9653980        
  5      0.7345370             -0.2465530        
  6      0.3605750              1.7281840        
  7      0.1566910             -0.5259660        
  8      0.0663330             -0.6793560        
P   1
  1      0.0277460              1.0000000        
P   1
  1      2.2182000              1.0000000        
P   1
  1      0.8827000              1.0000000        
D   7
  1     14.6857000             -0.0002690        
  2      9.1712400              0.0164940        
  3      5.7299200             -0.0666740        
  4      1.5875600              0.2245470        
  5      0.7672690              0.3796600        
  6      0.3528390              0.3618810        
  7      0.1530360              0.2216830        
D   7
  1     14.6857000              0.0012700        
  2      9.1712400             -0.0225880        
  3      5.7299200              0.0838610        
  4      1.5875600             -0.3263310        
  5      0.7672690             -0.5066390        
  6      0.3528390              0.1706070        
  7      0.1530360              0.6360850        
D   7
  1     14.6857000              0.0026700        
  2      9.1712400             -0.0374650        
  3      5.7299200              0.1404650        
  4      1.5875600             -0.8231180        
  5      0.7672690             -0.0536040        
  6      0.3528390              1.1529670        
  7      0.1530360             -0.4177890        
D   1
  1      0.0612280              1.0000000        
D   1
  1      2.7843000              1.0000000        
D   1
  1      0.8811000              1.0000000        
F   1
  1      1.8027000              1.0000000        
F   1
  1      0.9095000              1.0000000        
F   1
  1      0.3372000              1.0000000        
G   1
  1      2.0891000              1.0000000        
G   1
  1      0.8435000              1.0000000        


name: cc-pwCVTZ-PP
description: TZ2P Pseudopotential weighted Core-Valence Triple Zeta + Polarization
elt: Ir
data:
IRIDIUM
S   9
  1     34.2048000              0.0173300        
  2     21.3768000             -0.1532030        
  3     13.3624000              0.4419330        
  4      8.3483500             -0.1886920        
  5      4.7316300             -0.7122250        
  6      1.3078500              0.8529050        
  7      0.6243340              0.4997460        
  8      0.1938710              0.0352490        
  9      0.0879490             -0.0070780        
S   9
  1     34.2048000             -0.0060010        
  2     21.3768000              0.0538850        
  3     13.3624000             -0.1606020        
  4      8.3483500              0.0803950        
  5      4.7316300              0.2575940        
  6      1.3078500             -0.4237510        
  7      0.6243340             -0.3483540        
  8      0.1938710              0.2800310        
  9      0.0879490              0.6545570        
S   9
  1     34.2048000              0.0057000        
  2     21.3768000              0.0186860        
  3     13.3624000             -0.1098820        
  4      8.3483500             -0.1262300        
  5      4.7316300              0.7876390        
  6      1.3078500             -1.7027670        
  7      0.6243340              0.4383340        
  8      0.1938710              2.1004080        
  9      0.0879490             -1.2318660        
S   9
  1     34.2048000             -0.0001450        
  2     21.3768000              0.0001550        
  3     13.3624000              0.0004580        
  4      8.3483500              0.0027310        
  5      4.7316300             -0.0111600        
  6      1.3078500              0.0322630        
  7      0.6243340             -0.0309800        
  8      0.1938710             -0.0019260        
  9      0.0879490              0.0244470        
S   1
  1      0.0375390              1.0000000        
S   1
  1      1.7877000              1.0000000        
S   1
  1      1.1208000              1.0000000        
P   8
  1     20.7204000             -0.0132020        
  2     12.9677000              0.0739520        
  3      5.7222400             -0.2843120        
  4      1.5503800              0.5102230        
  5      0.7826600              0.4795020        
  6      0.3855150              0.1697720        
  7      0.1706090              0.0166680        
  8      0.0728290              0.0012420        
P   8
  1     20.7204000              0.0035200        
  2     12.9677000             -0.0215200        
  3      5.7222400              0.0890920        
  4      1.5503800             -0.1924180        
  5      0.7826600             -0.2089670        
  6      0.3855150              0.0046730        
  7      0.1706090              0.3828460        
  8      0.0728290              0.5399630        
P   8
  1     20.7204000              0.0068620        
  2     12.9677000             -0.0422290        
  3      5.7222400              0.1771470        
  4      1.5503800             -0.4201130        
  5      0.7826600             -0.4381970        
  6      0.3855150              0.4034530        
  7      0.1706090              0.7048150        
  8      0.0728290              0.1692730        
P   8
  1     20.7204000              0.0121460        
  2     12.9677000             -0.0723020        
  3      5.7222400              0.3121050        
  4      1.5503800             -1.1249840        
  5      0.7826600              0.0092840        
  6      0.3855150              1.6533010        
  7      0.1706090             -0.6527860        
  8      0.0728290             -0.6166420        
P   1
  1      0.0305710              1.0000000        
P   1
  1      2.3691000              1.0000000        
P   1
  1      0.9984000              1.0000000        
D   7
  1     91.4125000              0.0000240        
  2      9.7301300              0.0152170        
  3      6.0771200             -0.0657240        
  4      1.6882000              0.2340050        
  5      0.8237860              0.3845350        
  6      0.3820680              0.3558490        
  7      0.1669650              0.2119760        
D   7
  1     91.4125000             -0.0000130        
  2      9.7301300             -0.0183130        
  3      6.0771200              0.0780220        
  4      1.6882000             -0.3254460        
  5      0.8237860             -0.4793950        
  6      0.3820680              0.1391480        
  7      0.1669650              0.5831340        
D   7
  1     91.4125000             -0.0000080        
  2      9.7301300              0.0306140        
  3      6.0771200             -0.1301790        
  4      1.6882000              0.7766970        
  5      0.8237860              0.1046450        
  6      0.3820680             -1.0602650        
  7      0.1669650              0.1697160        
D   1
  1      0.0672310              1.0000000        
D   1
  1      2.9804000              1.0000000        
D   1
  1      0.9617000              1.0000000        
F   1
  1      1.9541000              1.0000000        
F   1
  1      1.0189000              1.0000000        
F   1
  1      0.3847000              1.0000000        
G   1
  1      2.2929000              1.0000000        
G   1
  1      0.9577000              1.0000000        


name: cc-pwCVTZ-PP
description: TZ2P Pseudopotential weighted Core-Valence Triple Zeta + Polarization
elt: Pt
data:
PLATINUM
S   9
  1     36.0064000              0.0156030        
  2     22.4991000             -0.1396000        
  3     14.0609000              0.3994690        
  4      8.7816100             -0.1277440        
  5      4.9923800             -0.7514510        
  6      1.3838500              0.8633270        
  7      0.6616170              0.4975940        
  8      0.2048820              0.0347580        
  9      0.0922300             -0.0065890        
S   9
  1     36.0064000             -0.0056780        
  2     22.4991000              0.0507550        
  3     14.0609000             -0.1500300        
  4      8.7816100              0.0639820        
  5      4.9923800              0.2704110        
  6      1.3838500             -0.4346570        
  7      0.6616170             -0.3372900        
  8      0.2048820              0.2814460        
  9      0.0922300              0.6455790        
S   9
  1     36.0064000              0.0070370        
  2     22.4991000              0.0105250        
  3     14.0609000             -0.0854980        
  4      8.7816100             -0.1765590        
  5      4.9923800              0.8567070        
  6      1.3838500             -1.8442100        
  7      0.6616170              0.6011560        
  8      0.2048820              1.9822930        
  9      0.0922300             -1.1764800        
S   9
  1     36.0064000             -0.0114450        
  2     22.4991000              0.1220440        
  3     14.0609000             -0.3759060        
  4      8.7816100              0.0553880        
  5      4.9923800              1.1335870        
  6      1.3838500             -4.2149190        
  7      0.6616170              4.8759410        
  8      0.2048820             -2.1659360        
  9      0.0922300             -0.4268040        
S   1
  1      0.0392640              1.0000000        
S   1
  1      1.8601000              1.0000000        
S   1
  1      1.1669000              1.0000000        
P   8
  1     21.5986000             -0.0125150        
  2     13.5160000              0.0715700        
  3      5.9203700             -0.2872760        
  4      1.6412600              0.5154190        
  5      0.8311310              0.4804610        
  6      0.4084300              0.1679960        
  7      0.1754270              0.0158600        
  8      0.0726850              0.0007950        
P   8
  1     21.5986000              0.0029600        
  2     13.5160000             -0.0191100        
  3      5.9203700              0.0838980        
  4      1.6412600             -0.1830090        
  5      0.8311310             -0.1878840        
  6      0.4084300             -0.0017870        
  7      0.1754270              0.3606710        
  8      0.0726850              0.5449210        
P   8
  1     21.5986000              0.0067690        
  2     13.5160000             -0.0429400        
  3      5.9203700              0.1894550        
  4      1.6412600             -0.4606470        
  5      0.8311310             -0.4463350        
  6      0.4084300              0.4896840        
  7      0.1754270              0.6825880        
  8      0.0726850              0.1279470        
P   8
  1     21.5986000              0.0116510        
  2     13.5160000             -0.0715220        
  3      5.9203700              0.3259640        
  4      1.6412600             -1.2148310        
  5      0.8311310              0.1587270        
  6      0.4084300              1.5953330        
  7      0.1754270             -0.7779330        
  8      0.0726850             -0.5304420        
P   1
  1      0.0297610              1.0000000        
P   1
  1      2.5291000              1.0000000        
P   1
  1      1.0714000              1.0000000        
D   7
  1     72.7562000              0.0000520        
  2     10.4742000              0.0126260        
  3      6.2509000             -0.0632410        
  4      1.8018500              0.2396470        
  5      0.8884540              0.3876720        
  6      0.4156650              0.3517440        
  7      0.1830800              0.2052900        
D   7
  1     72.7562000             -0.0000370        
  2     10.4742000             -0.0157890        
  3      6.2509000              0.0782970        
  4      1.8018500             -0.3582960        
  5      0.8884540             -0.4793250        
  6      0.4156650              0.1884070        
  7      0.1830800              0.5781450        
D   7
  1     72.7562000             -0.0000260        
  2     10.4742000              0.0271890        
  3      6.2509000             -0.1307380        
  4      1.8018500              0.8378570        
  5      0.8884540              0.0073940        
  6      0.4156650             -1.0612590        
  7      0.1830800              0.2490050        
D   1
  1      0.0742330              1.0000000        
D   1
  1      3.1781000              1.0000000        
D   1
  1      1.0624000              1.0000000        
F   1
  1      2.1077000              1.0000000        
F   1
  1      1.1318000              1.0000000        
F   1
  1      0.4337000              1.0000000        
G   1
  1      2.4989000              1.0000000        
G   1
  1      1.0772000              1.0000000        


name: cc-pwCVTZ-PP
description: TZ2P Pseudopotential weighted Core-Valence Triple Zeta + Polarization
elt: Au
data:
GOLD
S   9
  1     36.0126000              0.0190290        
  2     22.5645000             -0.1678000        
  3     14.1620000              0.4966770        
  4      8.8548700             -0.2662560        
  5      5.0607200             -0.6998980        
  6      1.4740500              0.8731080        
  7      0.7049130              0.5025820        
  8      0.2177870              0.0321960        
  9      0.0974080             -0.0055030        
S   9
  1     36.0126000             -0.0067770        
  2     22.5645000              0.0600080        
  3     14.1620000             -0.1833280        
  4      8.8548700              0.1147190        
  5      5.0607200              0.2488220        
  6      1.4740500             -0.4376710        
  7      0.7049130             -0.3311080        
  8      0.2177870              0.2741810        
  9      0.0974080              0.6377380        
S   9
  1     36.0126000              0.0039090        
  2     22.5645000              0.0337600        
  3     14.1620000             -0.1660600        
  4      8.8548700             -0.0517890        
  5      5.0607200              0.7950230        
  6      1.4740500             -1.8059270        
  7      0.7049130              0.5612390        
  8      0.2177870              1.8784270        
  9      0.0974080             -0.9692290        
S   9
  1     36.0126000             -0.0119140        
  2     22.5645000              0.1330690        
  3     14.1620000             -0.4342870        
  4      8.8548700              0.1701570        
  5      5.0607200              1.0647560        
  6      1.4740500             -4.0055360        
  7      0.7049130              4.4028320        
  8      0.2177870             -1.4321630        
  9      0.0974080             -1.1432550        
S   1
  1      0.0412140              1.0000000        
S   1
  1      1.9834000              1.0000000        
S   1
  1      1.2448000              1.0000000        
P   8
  1     21.5954000             -0.0132180        
  2     13.5145000              0.0801960        
  3      6.2551400             -0.2966860        
  4      1.7181400              0.5289590        
  5      0.8694390              0.4788890        
  6      0.4267590              0.1576200        
  7      0.1842970              0.0138970        
  8      0.0763790              0.0008350        
P   8
  1     21.5954000              0.0030800        
  2     13.5145000             -0.0214060        
  3      6.2551400              0.0867760        
  4      1.7181400             -0.1897740        
  5      0.8694390             -0.1858350        
  6      0.4267590              0.0047800        
  7      0.1842970              0.3638360        
  8      0.0763790              0.5417640        
P   8
  1     21.5954000              0.0070860        
  2     13.5145000             -0.0474930        
  3      6.2551400              0.1918930        
  4      1.7181400             -0.4636370        
  5      0.8694390             -0.4351380        
  6      0.4267590              0.4944030        
  7      0.1842970              0.6751140        
  8      0.0763790              0.1315360        
P   8
  1     21.5954000              0.0129200        
  2     13.5145000             -0.0820290        
  3      6.2551400              0.3386190        
  4      1.7181400             -1.2549920        
  5      0.8694390              0.2258130        
  6      0.4267590              1.5758790        
  7      0.1842970             -0.8043540        
  8      0.0763790             -0.5073130        
P   1
  1      0.0312200              1.0000000        
P   1
  1      2.6637000              1.0000000        
P   1
  1      1.1410000              1.0000000        
D   7
  1     87.0208000              0.0000440        
  2     11.0668000              0.0142880        
  3      6.6604700             -0.0688760        
  4      1.9469600              0.2395590        
  5      0.9847060              0.3873230        
  6      0.4746550              0.3487560        
  7      0.2165580              0.1984920        
D   7
  1     87.0208000             -0.0000310        
  2     11.0668000             -0.0199590        
  3      6.6604700              0.0953200        
  4      1.9469600             -0.4213430        
  5      0.9847060             -0.5069330        
  6      0.4746550              0.2854660        
  7      0.2165580              0.5825650        
D   7
  1     87.0208000             -0.0000440        
  2     11.0668000              0.0350830        
  3      6.6604700             -0.1619420        
  4      1.9469600              1.0421550        
  5      0.9847060             -0.2648650        
  6      0.4746550             -1.1163050        
  7      0.2165580              0.5457620        
D   1
  1      0.0914720              1.0000000        
D   1
  1      3.4696000              1.0000000        
D   1
  1      1.2171000              1.0000000        
F   1
  1      2.3161000              1.0000000        
F   1
  1      1.2353000              1.0000000        
F   1
  1      0.4878000              1.0000000        
G   1
  1      2.7283000              1.0000000        
G   1
  1      1.2257000              1.0000000        


name: cc-pwCVTZ-PP
description: TZ2P Pseudopotential weighted Core-Valence Triple Zeta + Polarization
elt: Hg
data:
MERCURY
S   9
  1     98.3058000              0.0010330        
  2     19.6406000             -0.1063820        
  3     12.3397000              0.5320730        
  4      7.7478200             -0.5223240        
  5      4.8629100             -0.5373210        
  6      1.5771900              0.8847880        
  7      0.7529260              0.5138340        
  8      0.2351120              0.0294070        
  9      0.1039680             -0.0061590        
S   9
  1     98.3058000             -0.0003560        
  2     19.6406000              0.0379090        
  3     12.3397000             -0.2000130        
  4      7.7478200              0.2240930        
  5      4.8629100              0.1793740        
  6      1.5771900             -0.4508330        
  7      0.7529260             -0.3390550        
  8      0.2351120              0.2934140        
  9      0.1039680              0.6446280        
S   9
  1     98.3058000             -0.0002170        
  2     19.6406000             -0.0440670        
  3     12.3397000              0.2876950        
  4      7.7478200             -0.1894760        
  5      4.8629100             -0.7807040        
  6      1.5771900              2.1756040        
  7      0.7529260             -0.8865840        
  8      0.2351120             -1.8749170        
  9      0.1039680              1.2470530        
S   9
  1     98.3058000             -0.0020930        
  2     19.6406000              0.1557830        
  3     12.3397000             -0.7951410        
  4      7.7478200              0.9970540        
  5      4.8629100              0.5928610        
  6      1.5771900             -4.4071970        
  7      0.7529260              5.2898370        
  8      0.2351120             -2.8866330        
  9      0.1039680              0.3158740        
S   1
  1      0.0434000              1.0000000        
S   1
  1      2.1304000              1.0000000        
S   1
  1      1.3378000              1.0000000        
P   8
  1     21.4065000             -0.0128370        
  2     13.3929000              0.0865310        
  3      6.5102100             -0.3080410        
  4      1.8222200              0.5327940        
  5      0.9265070              0.4822070        
  6      0.4550820              0.1546950        
  7      0.1927600              0.0132010        
  8      0.0786890              0.0005850        
P   8
  1     21.4065000              0.0026690        
  2     13.3929000             -0.0218770        
  3      6.5102100              0.0865390        
  4      1.8222200             -0.1847680        
  5      0.9265070             -0.1773950        
  6      0.4550820              0.0009770        
  7      0.1927600              0.3536030        
  8      0.0786890              0.5435820        
P   8
  1     21.4065000              0.0061400        
  2     13.3929000             -0.0480560        
  3      6.5102100              0.1891060        
  4      1.8222200             -0.4381190        
  5      0.9265070             -0.4321930        
  6      0.4550820              0.4570570        
  7      0.1927600              0.6953570        
  8      0.0786890              0.1420160        
P   8
  1     21.4065000              0.0130140        
  2     13.3929000             -0.0890970        
  3      6.5102100              0.3480200        
  4      1.8222200             -1.2184470        
  5      0.9265070              0.1232280        
  6      0.4550820              1.6284380        
  7      0.1927600             -0.7824510        
  8      0.0786890             -0.5112540        
P   1
  1      0.0317290              1.0000000        
P   1
  1      2.8228000              1.0000000        
P   1
  1      1.1949000              1.0000000        
D   7
  1     86.9881000              0.0000580        
  2     11.9913000              0.0127790        
  3      6.9364800             -0.0689630        
  4      2.0864100              0.2415630        
  5      1.0766400              0.3878580        
  6      0.5311530              0.3454410        
  7      0.2488080              0.1915090        
D   7
  1     86.9881000              0.0000500        
  2     11.9913000              0.0192460        
  3      6.9364800             -0.1034870        
  4      2.0864100              0.4847690        
  5      1.0766400              0.5069510        
  6      0.5311530             -0.3625720        
  7      0.2488080             -0.5729800        
D   7
  1     86.9881000             -0.0000430        
  2     11.9913000              0.0337600        
  3      6.9364800             -0.1746100        
  4      2.0864100              1.2017020        
  5      1.0766400             -0.5030930        
  6      0.5311530             -1.1299990        
  7      0.2488080              0.7749310        
D   1
  1      0.1081700              1.0000000        
D   1
  1      3.7153000              1.0000000        
D   1
  1      1.3573000              1.0000000        
F   1
  1      2.4882000              1.0000000        
F   1
  1      1.3479000              1.0000000        
F   1
  1      0.5423000              1.0000000        
G   1
  1      2.9668000              1.0000000        
G   1
  1      1.3737000              1.0000000        


name: cc-pwCVTZ-PP
description: TZ2P Pseudopotential weighted Core-Valence Triple Zeta + Polarization
elt: Tl
data:
THALLIUM
S   9
  1      5.623040E+02           1.980000E-04     
  2      3.524980E+01           2.211100E-02     
  3      2.203330E+01          -1.771730E-01     
  4      1.377320E+01           5.247630E-01     
  5      6.607030E+00          -8.455960E-01     
  6      4.130500E+00          -1.972920E-01     
  7      1.691560E+00           9.069980E-01     
  8      8.210210E-01           5.217240E-01     
  9      5.330000E-02           1.164000E-03     
S   9
  1      5.623040E+02          -8.400000E-05     
  2      3.524980E+01          -7.121000E-03     
  3      2.203330E+01           6.242600E-02     
  4      1.377320E+01          -1.989080E-01     
  5      6.607030E+00           3.623280E-01     
  6      4.130500E+00           5.900300E-02     
  7      1.691560E+00          -4.951260E-01     
  8      8.210210E-01          -4.018200E-01     
  9      5.330000E-02           2.582840E-01     
S   1
  1      2.773460E-01           1.0000000        
S   1
  1      1.267730E-01           1.0000000        
S   1
  1      5.720000E-02           1.0000000        
S   1
  1      1.308500E+00           1.0000000        
S   1
  1      8.197000E-01           1.0000000        
P   9
  1      1.875740E+01          -1.667800E-02     
  2      1.173310E+01           1.512460E-01     
  3      6.976960E+00          -3.814160E-01     
  4      1.927440E+00           5.503950E-01     
  5      9.808470E-01           4.895040E-01     
  6      4.788090E-01           1.406890E-01     
  7      1.908570E-01           8.960000E-03     
  8      7.510600E-02           1.670000E-04     
  9      2.955400E-02           9.100000E-05     
P   9
  1      1.875740E+01           2.618000E-03     
  2      1.173310E+01          -3.287900E-02     
  3      6.976960E+00           9.240600E-02     
  4      1.927440E+00          -1.666270E-01     
  5      9.808470E-01          -1.563700E-01     
  6      4.788090E-01          -2.345000E-03     
  7      1.908570E-01           3.309880E-01     
  8      7.510600E-02           5.452360E-01     
  9      2.955400E-02           2.687240E-01     
P   1
  1      2.939000E-01           1.0000000        
P   1
  1      4.340000E-02           1.0000000        
P   1
  1      1.751900E+00           1.0000000        
P   1
  1      8.520000E-01           1.0000000        
D   6
  1      6.499780E+01           1.920000E-04     
  2      1.057320E+01           2.138300E-02     
  3      6.612170E+00          -8.823800E-02     
  4      2.173530E+00           2.702850E-01     
  5      1.101020E+00           4.265460E-01     
  6      5.290980E-01           3.444120E-01     
D   1
  1      2.386600E-01           1.0000000        
D   1
  1      9.080000E-02           1.0000000        
D   1
  1      2.506100E+00           1.0000000        
D   1
  1      5.865000E-01           1.0000000        
F   1
  1      2.918000E-01           1.0000000        
F   1
  1      2.091400E+00           1.0000000        
F   1
  1      7.778000E-01           1.0000000        
G   1
  1      8.370000E-01           1.0000000        


name: cc-pwCVTZ-PP
description: TZ2P Pseudopotential weighted Core-Valence Triple Zeta + Polarization
elt: Pb
data:
LEAD
S   9
  1      5.446750E+02           3.190000E-04     
  2      3.651280E+01           2.421400E-02     
  3      2.277610E+01          -1.854660E-01     
  4      1.422620E+01           5.460900E-01     
  5      6.895000E+00          -8.705150E-01     
  6      4.309690E+00          -2.035780E-01     
  7      1.800850E+00           9.089240E-01     
  8      8.907680E-01           5.320000E-01     
  9      6.328800E-02           1.052000E-03     
S   9
  1      5.446750E+02          -1.460000E-04     
  2      3.651280E+01          -8.348000E-03     
  3      2.277610E+01           6.944800E-02     
  4      1.422620E+01          -2.207290E-01     
  5      6.895000E+00           4.003450E-01     
  6      4.309690E+00           6.296400E-02     
  7      1.800850E+00          -5.315590E-01     
  8      8.907680E-01          -4.479460E-01     
  9      6.328800E-02           2.440990E-01     
S   1
  1      3.189680E-01           1.0000000        
S   1
  1      1.483520E-01           1.0000000        
S   1
  1      6.810000E-02           1.0000000        
S   1
  1      1.468800E+00           1.0000000        
S   1
  1      9.200000E-01           1.0000000        
P   9
  1      1.864890E+01          -1.780000E-02     
  2      1.166790E+01           1.793570E-01     
  3      7.293490E+00          -4.167250E-01     
  4      2.028490E+00           5.595180E-01     
  5      1.040970E+00           4.925180E-01     
  6      5.141900E-01           1.323700E-01     
  7      2.286510E-01           8.059000E-03     
  8      9.582800E-02           7.990000E-04     
  9      3.922900E-02          -2.700000E-05     
P   9
  1      1.864890E+01           3.093000E-03     
  2      1.166790E+01          -4.531600E-02     
  3      7.293490E+00           1.173920E-01     
  4      2.028490E+00          -2.007620E-01     
  5      1.040970E+00          -1.848820E-01     
  6      5.141900E-01          -5.412000E-03     
  7      2.286510E-01           3.698780E-01     
  8      9.582800E-02           5.468910E-01     
  9      3.922900E-02           2.294930E-01     
P   1
  1      3.696000E-01           1.0000000        
P   1
  1      5.860000E-02           1.0000000        
P   1
  1      1.891700E+00           1.0000000        
P   1
  1      1.088500E+00           1.0000000        
D   6
  1      6.139700E+01           3.250000E-04     
  2      1.237350E+01           1.321100E-02     
  3      6.926860E+00          -7.278100E-02     
  4      2.330870E+00           2.697210E-01     
  5      1.210190E+00           4.265860E-01     
  6      6.005160E-01           3.381390E-01     
D   1
  1      2.807870E-01           1.0000000        
D   1
  1      1.093000E-01           1.0000000        
D   1
  1      2.685900E+00           1.0000000        
D   1
  1      6.666000E-01           1.0000000        
F   1
  1      2.900000E-01           1.0000000        
F   1
  1      2.204900E+00           1.0000000        
F   1
  1      8.078000E-01           1.0000000        
G   1
  1      9.145000E-01           1.0000000        


name: cc-pwCVTZ-PP
description: TZ2P Pseudopotential weighted Core-Valence Triple Zeta + Polarization
elt: Bi
data:
BISMUTH
S   9
  1      7.986330E+02           3.890000E-04     
  2      9.500230E+01           2.104000E-03     
  3      2.125200E+01          -1.296810E-01     
  4      1.329190E+01           6.651190E-01     
  5      8.312100E+00          -7.740220E-01     
  6      5.194760E+00          -4.577470E-01     
  7      1.909720E+00           9.010720E-01     
  8      9.622710E-01           5.445340E-01     
  9      7.326500E-02           1.036000E-03     
S   9
  1      7.986330E+02          -1.910000E-04     
  2      9.500230E+01          -8.850000E-04     
  3      2.125200E+01           5.505300E-02     
  4      1.329190E+01          -3.024060E-01     
  5      8.312100E+00           3.964830E-01     
  6      5.194760E+00           1.783230E-01     
  7      1.909720E+00          -5.704930E-01     
  8      9.622710E-01          -4.792590E-01     
  9      7.326500E-02           2.315980E-01     
S   1
  1      3.560260E-01           1.0000000        
S   1
  1      1.683270E-01           1.0000000        
S   1
  1      7.840000E-02           1.0000000        
S   1
  1      1.618000E+00           1.0000000        
S   1
  1      1.013900E+00           1.0000000        
P   9
  1      1.922590E+01          -1.615200E-02     
  2      1.203780E+01           1.760310E-01     
  3      7.536210E+00          -4.201030E-01     
  4      2.160840E+00           5.526740E-01     
  5      1.130360E+00           4.995620E-01     
  6      5.667780E-01           1.344950E-01     
  7      2.716080E-01           8.046000E-03     
  8      1.177690E-01           1.031000E-03     
  9      4.930400E-02          -1.620000E-04     
P   9
  1      1.922590E+01           2.733000E-03     
  2      1.203780E+01          -4.884300E-02     
  3      7.536210E+00           1.318400E-01     
  4      2.160840E+00          -2.252710E-01     
  5      1.130360E+00          -2.078760E-01     
  6      5.667780E-01          -1.558500E-02     
  7      2.716080E-01           3.938490E-01     
  8      1.177690E-01           5.508800E-01     
  9      4.930400E-02           2.111500E-01     
P   1
  1      4.469000E-01           1.0000000        
P   1
  1      7.430000E-02           1.0000000        
P   1
  1      2.197500E+00           1.0000000        
P   1
  1      1.243100E+00           1.0000000        
D   6
  1      6.502240E+01           3.950000E-04     
  2      1.369080E+01           1.120100E-02     
  3      7.095910E+00          -7.231700E-02     
  4      2.520900E+00           2.632860E-01     
  5      1.340660E+00           4.273250E-01     
  6      6.825580E-01           3.375340E-01     
D   1
  1      3.277140E-01           1.0000000        
D   1
  1      1.306000E-01           1.0000000        
D   1
  1      2.912200E+00           1.0000000        
D   1
  1      7.590000E-01           1.0000000        
F   1
  1      3.164000E-01           1.0000000        
F   1
  1      2.369700E+00           1.0000000        
F   1
  1      8.822000E-01           1.0000000        
G   1
  1      1.016300E+00           1.0000000        


name: cc-pwCVTZ-PP
description: TZ2P Pseudopotential weighted Core-Valence Triple Zeta + Polarization
elt: Po
data:
POLONIUM
S   9
  1      2.284760E+03           2.360000E-04     
  2      3.457740E+02           1.191000E-03     
  3      4.092040E+01           2.689600E-02     
  4      2.557710E+01          -1.699090E-01     
  5      1.599420E+01           4.554490E-01     
  6      6.793830E+00          -9.748070E-01     
  7      1.927090E+00           9.172590E-01     
  8      9.970320E-01           5.026630E-01     
  9      7.353600E-02           1.362000E-03     
S   9
  1      2.284760E+03           1.140000E-04     
  2      3.457740E+02           6.790000E-04     
  3      4.092040E+01           7.484000E-03     
  4      2.557710E+01          -5.783100E-02     
  5      1.599420E+01           1.842770E-01     
  6      6.793830E+00          -4.716170E-01     
  7      1.927090E+00           6.656440E-01     
  8      9.970320E-01           4.192020E-01     
  9      7.353600E-02          -1.458700E-01     
S   1
  1      3.403500E-01           1.0000000        
S   1
  1      1.617240E-01           1.0000000        
S   1
  1      8.750000E-02           1.0000000        
S   1
  1      1.715700E+00           1.0000000        
S   1
  1      1.076200E+00           1.0000000        
P   9
  1      1.977140E+01          -1.449100E-02     
  2      1.239210E+01           1.732690E-01     
  3      7.774070E+00          -4.241670E-01     
  4      2.291310E+00           5.524090E-01     
  5      1.205940E+00           5.120890E-01     
  6      5.946110E-01           1.278370E-01     
  7      2.986450E-01           5.254000E-03     
  8      1.297420E-01           2.010000E-03     
  9      5.393500E-02          -1.320000E-04     
P   9
  1      1.977140E+01           2.105000E-03     
  2      1.239210E+01          -5.084900E-02     
  3      7.774070E+00           1.432890E-01     
  4      2.291310E+00          -2.470410E-01     
  5      1.205940E+00          -2.322350E-01     
  6      5.946110E-01           7.100000E-03     
  7      2.986450E-01           4.246290E-01     
  8      1.297420E-01           5.319740E-01     
  9      5.393500E-02           1.972940E-01     
P   1
  1      4.953000E-01           1.0000000        
P   1
  1      7.970000E-02           1.0000000        
P   1
  1      2.316600E+00           1.0000000        
P   1
  1      1.377200E+00           1.0000000        
D   6
  1      6.796360E+01           4.990000E-04     
  2      1.498830E+01           1.015000E-02     
  3      7.260740E+00          -7.190500E-02     
  4      2.710700E+00           2.594360E-01     
  5      1.463830E+00           4.323430E-01     
  6      7.558280E-01           3.375810E-01     
D   1
  1      3.671760E-01           1.0000000        
D   1
  1      1.484000E-01           1.0000000        
D   1
  1      3.097700E+00           1.0000000        
D   1
  1      8.393000E-01           1.0000000        
F   1
  1      3.250000E-01           1.0000000        
F   1
  1      2.492800E+00           1.0000000        
F   1
  1      9.331000E-01           1.0000000        
G   1
  1      1.115800E+00           1.0000000        


name: cc-pwCVTZ-PP
description: TZ2P Pseudopotential weighted Core-Valence Triple Zeta + Polarization
elt: At
data:
ASTATINE
S   9
  1      2.405310E+03           1.700000E-04     
  2      3.655650E+02           8.190000E-04     
  3      4.190620E+01           2.248700E-02     
  4      2.620260E+01          -1.576560E-01     
  5      1.639150E+01           4.528990E-01     
  6      7.083410E+00          -9.917430E-01     
  7      2.033130E+00           9.225040E-01     
  8      1.070070E+00           5.052420E-01     
  9      8.183300E-02           1.348000E-03     
S   9
  1      2.405310E+03          -8.200000E-05     
  2      3.655650E+02          -4.930000E-04     
  3      4.190620E+01          -5.402000E-03     
  4      2.620260E+01           5.317000E-02     
  5      1.639150E+01          -1.887440E-01     
  6      7.083410E+00           4.997270E-01     
  7      2.033130E+00          -7.071970E-01     
  8      1.070070E+00          -4.337520E-01     
  9      8.183300E-02           1.365100E-01     
S   1
  1      3.760710E-01           1.0000000        
S   1
  1      1.794470E-01           1.0000000        
S   1
  1      9.660000E-02           1.0000000        
S   1
  1      1.894900E+00           1.0000000        
S   1
  1      1.188700E+00           1.0000000        
P   9
  1      2.029700E+01          -1.181000E-02     
  2      1.273120E+01           1.669480E-01     
  3      8.000340E+00          -4.251720E-01     
  4      2.447960E+00           5.371220E-01     
  5      1.310820E+00           5.267320E-01     
  6      6.458650E-01           1.326450E-01     
  7      3.337580E-01           4.566000E-03     
  8      1.461660E-01           2.837000E-03     
  9      6.087100E-02          -4.700000E-05     
P   9
  1      2.029700E+01           1.018000E-03     
  2      1.273120E+01          -5.125000E-02     
  3      8.000340E+00           1.534750E-01     
  4      2.447960E+00          -2.616100E-01     
  5      1.310820E+00          -2.555450E-01     
  6      6.458650E-01           1.331400E-02     
  7      3.337580E-01           4.434770E-01     
  8      1.461660E-01           5.252820E-01     
  9      6.087100E-02           1.879620E-01     
P   1
  1      5.686000E-01           1.0000000        
P   1
  1      9.290000E-02           1.0000000        
P   1
  1      2.502100E+00           1.0000000        
P   1
  1      1.561800E+00           1.0000000        
D   6
  1      7.094540E+01           6.200000E-04     
  2      1.625600E+01           9.671000E-03     
  3      7.360320E+00          -7.345900E-02     
  4      2.923360E+00           2.525880E-01     
  5      1.599120E+00           4.379470E-01     
  6      8.340870E-01           3.400530E-01     
D   1
  1      4.081410E-01           1.0000000        
D   1
  1      1.683000E-01           1.0000000        
D   1
  1      3.282400E+00           1.0000000        
D   1
  1      9.221000E-01           1.0000000        
F   1
  1      3.719000E-01           1.0000000        
F   1
  1      2.704000E+00           1.0000000        
F   1
  1      1.036400E+00           1.0000000        
G   1
  1      1.229000E+00           1.0000000        


name: cc-pwCVTZ-PP
description: TZ2P Pseudopotential weighted Core-Valence Triple Zeta + Polarization
elt: Rn
data:
RADON
S   9
  1      3.407200E+03           2.290000E-04     
  2      5.164830E+02           1.255000E-03     
  3      9.702810E+01           3.674000E-03     
  4      2.646550E+01          -8.857400E-02     
  5      1.656310E+01           3.733190E-01     
  6      7.251060E+00          -9.622370E-01     
  7      2.171930E+00           8.751670E-01     
  8      1.180120E+00           5.520340E-01     
  9      9.092500E-02           2.096000E-03     
S   9
  1      3.407200E+03          -1.250000E-04     
  2      5.164830E+02          -7.910000E-04     
  3      9.702810E+01          -1.353000E-03     
  4      2.646550E+01           3.281600E-02     
  5      1.656310E+01          -1.662340E-01     
  6      7.251060E+00           5.134720E-01     
  7      2.171930E+00          -7.293370E-01     
  8      1.180120E+00          -4.533150E-01     
  9      9.092500E-02           1.289040E-01     
S   1
  1      4.014950E-01           1.0000000        
S   1
  1      1.948420E-01           1.0000000        
S   1
  1      1.060000E-01           1.0000000        
S   1
  1      2.082400E+00           1.0000000        
S   1
  1      1.307100E+00           1.0000000        
P   9
  1      2.072390E+01          -8.712000E-03     
  2      1.299960E+01           1.615290E-01     
  3      8.173480E+00          -4.339190E-01     
  4      2.747420E+00           4.447680E-01     
  5      1.563900E+00           5.621850E-01     
  6      8.110200E-01           1.912550E-01     
  7      4.009630E-01           1.335100E-02     
  8      1.737640E-01           1.526000E-03     
  9      7.157600E-02          -1.560000E-04     
P   9
  1      2.072390E+01          -2.330000E-04     
  2      1.299960E+01          -5.148100E-02     
  3      8.173480E+00           1.655770E-01     
  4      2.747420E+00          -2.323410E-01     
  5      1.563900E+00          -2.874580E-01     
  6      8.110200E-01          -4.860900E-02     
  7      4.009630E-01           4.450460E-01     
  8      1.737640E-01           5.480680E-01     
  9      7.157600E-02           1.999230E-01     
P   1
  1      6.463000E-01           1.0000000        
P   1
  1      1.083000E-01           1.0000000        
P   1
  1      2.761200E+00           1.0000000        
P   1
  1      1.724800E+00           1.0000000        
D   6
  1      7.543180E+01           7.340000E-04     
  2      1.801710E+01           8.865000E-03     
  3      7.351650E+00          -7.714500E-02     
  4      3.252120E+00           2.250370E-01     
  5      1.809890E+00           4.386570E-01     
  6      9.565500E-01           3.545790E-01     
D   1
  1      4.747500E-01           1.0000000        
D   1
  1      1.960000E-01           1.0000000        
D   1
  1      3.532500E+00           1.0000000        
D   1
  1      1.048200E+00           1.0000000        
F   1
  1      4.303000E-01           1.0000000        
F   1
  1      2.930600E+00           1.0000000        
F   1
  1      1.153200E+00           1.0000000        
G   1
  1      1.355600E+00           1.0000000        


name: cc-pwCVTZ-PP
description: cc-pwCVTZ-PP for Hf - Pt
elt: Hf
data:
HAFNIUM
S   9
  1     26.5042000              0.0320170        
  2     16.5840000             -0.2583380        
  3     10.3831000              0.7419580        
  4      6.4955000             -0.5972460        
  5      3.4643100             -0.4674330        
  6      0.9862000              0.7814380        
  7      0.4578280              0.5337560        
  8      0.1321180              0.0363800        
  9      0.0669670             -0.0136480        
S   9
  1     26.5042000             -0.0092200        
  2     16.5840000              0.0766750        
  3     10.3831000             -0.2256410        
  4      6.4955000              0.1855680        
  5      3.4643100              0.1565490        
  6      0.9862000             -0.3114170        
  7      0.4578280             -0.3945230        
  8      0.1321180              0.2034830        
  9      0.0669670              0.6862960        
S   9
  1     26.5042000             -0.0051870        
  2     16.5840000              0.0780690        
  3     10.3831000             -0.2633410        
  4      6.4955000              0.1631730        
  5      3.4643100              0.4121450        
  6      0.9862000             -0.9279190        
  7      0.4578280             -0.3552850        
  8      0.1321180              2.5901110        
  9      0.0669670             -1.2877130        
S   9
  1     26.5042000              0.0266200        
  2     16.5840000             -0.0510920        
  3     10.3831000             -0.0133860        
  4      6.4955000             -0.2493960        
  5      3.4643100              1.1377230        
  6      0.9862000             -3.2919740        
  7      0.4578280              3.0952960        
  8      0.1321180              0.5233810        
  9      0.0669670             -2.9817690        
S   1
  1      0.0290100              1.0000000        
S   1
  1      1.2925000              1.0000000        
S   1
  1      0.8085000              1.0000000        
P   8
  1     15.2724000             -0.0249160        
  2      9.5703500              0.1349670        
  3      5.0361800             -0.3145280        
  4      1.1521500              0.4766040        
  5      0.5624010              0.4841910        
  6      0.2742040              0.1844940        
  7      0.1205050              0.0186390        
  8      0.0528120              0.0015040        
P   8
  1     15.2724000              0.0066140        
  2      9.5703500             -0.0369260        
  3      5.0361800              0.0887770        
  4      1.1521500             -0.1514170        
  5      0.5624010             -0.2041520        
  6      0.2742040             -0.0401350        
  7      0.1205050              0.3663260        
  8      0.0528120              0.5626960        
P   8
  1     15.2724000              0.0094170        
  2      9.5703500             -0.0530870        
  3      5.0361800              0.1282870        
  4      1.1521500             -0.2170080        
  5      0.5624010             -0.3251220        
  6      0.2742040             -0.0046510        
  7      0.1205050              0.7343430        
  8      0.0528120              0.3849980        
P   8
  1     15.2724000              0.0190460        
  2      9.5703500             -0.1039530        
  3      5.0361800              0.2510270        
  4      1.1521500             -0.5289630        
  5      0.5624010             -0.8006570        
  6      0.2742040              1.6510980        
  7      0.1205050              0.1195080        
  8      0.0528120             -0.9590230        
P   1
  1      0.0228910              1.0000000        
P   1
  1      1.6107000              1.0000000        
P   1
  1      0.5841000              1.0000000        
D   7
  1     11.9756000             -0.0014780        
  2      7.4799800              0.0187080        
  3      4.6738300             -0.0580870        
  4      1.1750300              0.1823340        
  5      0.5283500              0.3486640        
  6      0.2277570              0.3933500        
  7      0.0941690              0.2772230        
D   7
  1     11.9756000              0.0012390        
  2      7.4799800             -0.0202160        
  3      4.6738300              0.0669450        
  4      1.1750300             -0.2392560        
  5      0.5283500             -0.4736770        
  6      0.2277570             -0.0843030        
  7      0.0941690              0.6333300        
D   7
  1     11.9756000             -0.0031330        
  2      7.4799800              0.0334770        
  3      4.6738300             -0.1038090        
  4      1.1750300              0.4716820        
  5      0.5283500              0.5191890        
  6      0.2277570             -1.0917460        
  7      0.0941690              0.0084120        
D   1
  1      0.0366310              1.0000000        
D   1
  1      1.9912000              1.0000000        
D   1
  1      0.5380000              1.0000000        
F   1
  1      1.2099000              1.0000000        
F   1
  1      0.5106000              1.0000000        
F   1
  1      0.1605000              1.0000000        
G   1
  1      1.1923000              1.0000000        
G   1
  1      0.3579000              1.0000000        


name: cc-pwCVTZ-PP
description: cc-pwCVTZ-PP for Hf - Pt
elt: Pt
data:
PLATINUM
S   9
  1     36.0064000              0.0156030        
  2     22.4991000             -0.1396000        
  3     14.0609000              0.3994690        
  4      8.7816100             -0.1277440        
  5      4.9923800             -0.7514510        
  6      1.3838500              0.8633270        
  7      0.6616170              0.4975940        
  8      0.2048820              0.0347580        
  9      0.0922300             -0.0065890        
S   9
  1     36.0064000             -0.0056780        
  2     22.4991000              0.0507550        
  3     14.0609000             -0.1500300        
  4      8.7816100              0.0639820        
  5      4.9923800              0.2704110        
  6      1.3838500             -0.4346570        
  7      0.6616170             -0.3372900        
  8      0.2048820              0.2814460        
  9      0.0922300              0.6455790        
S   9
  1     36.0064000              0.0070370        
  2     22.4991000              0.0105250        
  3     14.0609000             -0.0854980        
  4      8.7816100             -0.1765590        
  5      4.9923800              0.8567070        
  6      1.3838500             -1.8442100        
  7      0.6616170              0.6011560        
  8      0.2048820              1.9822930        
  9      0.0922300             -1.1764800        
S   9
  1     36.0064000             -0.0114450        
  2     22.4991000              0.1220440        
  3     14.0609000             -0.3759060        
  4      8.7816100              0.0553880        
  5      4.9923800              1.1335870        
  6      1.3838500             -4.2149190        
  7      0.6616170              4.8759410        
  8      0.2048820             -2.1659360        
  9      0.0922300             -0.4268040        
S   1
  1      0.0392640              1.0000000        
S   1
  1      1.8601000              1.0000000        
S   1
  1      1.1669000              1.0000000        
P   8
  1     21.5986000             -0.0125150        
  2     13.5160000              0.0715700        
  3      5.9203700             -0.2872760        
  4      1.6412600              0.5154190        
  5      0.8311310              0.4804610        
  6      0.4084300              0.1679960        
  7      0.1754270              0.0158600        
  8      0.0726850              0.0007950        
P   8
  1     21.5986000              0.0029600        
  2     13.5160000             -0.0191100        
  3      5.9203700              0.0838980        
  4      1.6412600             -0.1830090        
  5      0.8311310             -0.1878840        
  6      0.4084300             -0.0017870        
  7      0.1754270              0.3606710        
  8      0.0726850              0.5449210        
P   8
  1     21.5986000              0.0067690        
  2     13.5160000             -0.0429400        
  3      5.9203700              0.1894550        
  4      1.6412600             -0.4606470        
  5      0.8311310             -0.4463350        
  6      0.4084300              0.4896840        
  7      0.1754270              0.6825880        
  8      0.0726850              0.1279470        
P   8
  1     21.5986000              0.0116510        
  2     13.5160000             -0.0715220        
  3      5.9203700              0.3259640        
  4      1.6412600             -1.2148310        
  5      0.8311310              0.1587270        
  6      0.4084300              1.5953330        
  7      0.1754270             -0.7779330        
  8      0.0726850             -0.5304420        
P   1
  1      0.0297610              1.0000000        
P   1
  1      2.5291000              1.0000000        
P   1
  1      1.0714000              1.0000000        
D   7
  1     72.7562000              0.0000520        
  2     10.4742000              0.0126260        
  3      6.2509000             -0.0632410        
  4      1.8018500              0.2396470        
  5      0.8884540              0.3876720        
  6      0.4156650              0.3517440        
  7      0.1830800              0.2052900        
D   7
  1     72.7562000             -0.0000370        
  2     10.4742000             -0.0157890        
  3      6.2509000              0.0782970        
  4      1.8018500             -0.3582960        
  5      0.8884540             -0.4793250        
  6      0.4156650              0.1884070        
  7      0.1830800              0.5781450        
D   7
  1     72.7562000             -0.0000260        
  2     10.4742000              0.0271890        
  3      6.2509000             -0.1307380        
  4      1.8018500              0.8378570        
  5      0.8884540              0.0073940        
  6      0.4156650             -1.0612590        
  7      0.1830800              0.2490050        
D   1
  1      0.0742330              1.0000000        
D   1
  1      3.1781000              1.0000000        
D   1
  1      1.0624000              1.0000000        
F   1
  1      2.1077000              1.0000000        
F   1
  1      1.1318000              1.0000000        
F   1
  1      0.4337000              1.0000000        
G   1
  1      2.4989000              1.0000000        
G   1
  1      1.0772000              1.0000000        


name: cc-pwCVTZ-PP
description: N/A
elt: I
data:
IODINE
S   9
  1      5.546500E+03           1.560000E-04     
  2      8.382140E+02           9.860000E-04     
  3      1.821870E+02           2.792000E-03     
  4      3.121230E+01          -4.325100E-02     
  5      1.953140E+01           2.341340E-01     
  6      8.240990E+00          -7.509430E-01     
  7      2.194550E+00           8.829680E-01     
  8      1.109110E+00           4.620610E-01     
  9      8.106100E-02           1.102000E-03     
S   9
  1      5.546500E+03          -7.300000E-05     
  2      8.382140E+02          -5.080000E-04     
  3      1.821870E+02          -1.158000E-03     
  4      3.121230E+01           1.219300E-02     
  5      1.953140E+01          -8.785400E-02     
  6      8.240990E+00           3.382000E-01     
  7      2.194550E+00          -5.765500E-01     
  8      1.109110E+00          -4.092980E-01     
  9      8.106100E-02           1.432310E-01     
S   1
  1      3.746410E-01           1.0000000        
S   1
  1      1.770800E-01           1.0000000        
S   1
  1      1.001000E-01           1.0000000        
S   1
  1      2.165900E+00           1.0000000        
S   1
  1      1.364800E+00           1.0000000        
P   9
  1      1.889880E+02           5.850000E-04     
  2      2.128680E+01           3.692300E-02     
  3      1.003960E+01          -2.353240E-01     
  4      3.451800E+00           3.414830E-01     
  5      1.974560E+00           5.347880E-01     
  6      1.024200E+00           2.651410E-01     
  7      4.494370E-01           2.578700E-02     
  8      1.866480E-01           5.220000E-04     
  9      7.348100E-02           6.060000E-04     
P   9
  1      1.889880E+02          -2.560000E-04     
  2      2.128680E+01          -1.168200E-02     
  3      1.003960E+01           8.319200E-02     
  4      3.451800E+00          -1.569700E-01     
  5      1.974560E+00          -2.245180E-01     
  6      1.024200E+00          -1.144510E-01     
  7      4.494370E-01           3.753560E-01     
  8      1.866480E-01           5.751360E-01     
  9      7.348100E-02           2.459170E-01     
P   1
  1      5.981000E-01           1.0000000        
P   1
  1      9.618000E-02           1.0000000        
P   1
  1      5.028300E+00           1.0000000        
P   1
  1      1.424300E+00           1.0000000        
D   7
  1      1.326620E+02           5.720000E-04     
  2      3.760540E+01           4.402000E-03     
  3      1.038910E+01          -4.092200E-02     
  4      6.490170E+00           9.966100E-02     
  5      3.454510E+00           3.226630E-01     
  6      1.844130E+00           4.003430E-01     
  7      9.624780E-01           2.683060E-01     
D   1
  1      4.728530E-01           1.0000000        
D   1
  1      1.932000E-01           1.0000000        
D   1
  1      2.210900E+00           1.0000000        
D   1
  1      1.092400E+00           1.0000000        
F   1
  1      4.064000E-01           1.0000000        
F   1
  1      4.775300E+00           1.0000000        
F   1
  1      1.304400E+00           1.0000000        
G   1
  1      1.395500E+00           1.0000000        


name: cc-pwCVTZ-PP MP2 Fitting
description: cc-pwCVTZ-PP MP2 fitting auxiliary basis set
elt: Y
data:
YTTRIUM
S   1
  1     15.2808000              1.0000000        
S   1
  1      4.3274200              1.0000000        
S   1
  1      3.1083200              1.0000000        
S   1
  1      2.3084600              1.0000000        
S   1
  1      1.2766200              1.0000000        
S   1
  1      0.7027370              1.0000000        
S   1
  1      0.3753420              1.0000000        
S   1
  1      0.1560460              1.0000000        
S   1
  1      0.0932330              1.0000000        
S   1
  1      0.0503250              1.0000000        
S   1
  1      0.0368950              1.0000000        
P   1
  1      6.3069200              1.0000000        
P   1
  1      4.7613600              1.0000000        
P   1
  1      3.2872100              1.0000000        
P   1
  1      2.4153800              1.0000000        
P   1
  1      1.1122800              1.0000000        
P   1
  1      0.6375760              1.0000000        
P   1
  1      0.3976380              1.0000000        
P   1
  1      0.2080580              1.0000000        
P   1
  1      0.1301770              1.0000000        
P   1
  1      0.0850420              1.0000000        
P   1
  1      0.0477230              1.0000000        
D   1
  1      6.0917500              1.0000000        
D   1
  1      4.5945500              1.0000000        
D   1
  1      2.4399800              1.0000000        
D   1
  1      1.4449400              1.0000000        
D   1
  1      0.8551540              1.0000000        
D   1
  1      0.5967350              1.0000000        
D   1
  1      0.3007850              1.0000000        
D   1
  1      0.1898110              1.0000000        
D   1
  1      0.0997730              1.0000000        
D   1
  1      0.0494440              1.0000000        
F   1
  1      5.6520800              1.0000000        
F   1
  1      3.9529600              1.0000000        
F   1
  1      2.3825200              1.0000000        
F   1
  1      1.3743400              1.0000000        
F   1
  1      0.7623930              1.0000000        
F   1
  1      0.4578250              1.0000000        
F   1
  1      0.2076490              1.0000000        
F   1
  1      0.1199550              1.0000000        
F   1
  1      0.0583190              1.0000000        
G   1
  1      5.9546600              1.0000000        
G   1
  1      2.3991000              1.0000000        
G   1
  1      1.7580100              1.0000000        
G   1
  1      0.9465510              1.0000000        
G   1
  1      0.4936670              1.0000000        
G   1
  1      0.2935740              1.0000000        
G   1
  1      0.1196340              1.0000000        
G   1
  1      0.0626050              1.0000000        
H   1
  1      4.4269600              1.0000000        
H   1
  1      1.8097200              1.0000000        
H   1
  1      1.2063500              1.0000000        
H   1
  1      0.6146350              1.0000000        
H   1
  1      0.2267990              1.0000000        
I   1
  1      1.9452500              1.0000000        
I   1
  1      1.2428300              1.0000000        
I   1
  1      0.4427380              1.0000000        


name: cc-pwCVTZ-PP MP2 Fitting
description: cc-pwCVTZ-PP MP2 fitting auxiliary basis set
elt: Zr
data:
ZIRCONIUM
S   1
  1     18.5400000              1.0000000        
S   1
  1      4.7056400              1.0000000        
S   1
  1      3.3093900              1.0000000        
S   1
  1      2.5817700              1.0000000        
S   1
  1      1.4339500              1.0000000        
S   1
  1      0.7886750              1.0000000        
S   1
  1      0.4433890              1.0000000        
S   1
  1      0.2392910              1.0000000        
S   1
  1      0.1040680              1.0000000        
S   1
  1      0.0522180              1.0000000        
S   1
  1      0.0378070              1.0000000        
P   1
  1     10.1029000              1.0000000        
P   1
  1      6.5516100              1.0000000        
P   1
  1      3.9182600              1.0000000        
P   1
  1      2.9294800              1.0000000        
P   1
  1      1.3524200              1.0000000        
P   1
  1      0.7833070              1.0000000        
P   1
  1      0.5711650              1.0000000        
P   1
  1      0.3216350              1.0000000        
P   1
  1      0.1987700              1.0000000        
P   1
  1      0.0989280              1.0000000        
P   1
  1      0.0501800              1.0000000        
D   1
  1      7.0381500              1.0000000        
D   1
  1      5.5338100              1.0000000        
D   1
  1      2.9257000              1.0000000        
D   1
  1      1.6716800              1.0000000        
D   1
  1      1.3308800              1.0000000        
D   1
  1      0.7027170              1.0000000        
D   1
  1      0.3961550              1.0000000        
D   1
  1      0.2463160              1.0000000        
D   1
  1      0.1295670              1.0000000        
D   1
  1      0.0611500              1.0000000        
F   1
  1      6.2136800              1.0000000        
F   1
  1      4.3805700              1.0000000        
F   1
  1      2.8320600              1.0000000        
F   1
  1      1.7156300              1.0000000        
F   1
  1      0.8888260              1.0000000        
F   1
  1      0.5435500              1.0000000        
F   1
  1      0.2584780              1.0000000        
F   1
  1      0.1329250              1.0000000        
F   1
  1      0.0690680              1.0000000        
G   1
  1      6.9188700              1.0000000        
G   1
  1      3.0295400              1.0000000        
G   1
  1      2.1798500              1.0000000        
G   1
  1      1.2846700              1.0000000        
G   1
  1      0.6686680              1.0000000        
G   1
  1      0.3880680              1.0000000        
G   1
  1      0.1641890              1.0000000        
G   1
  1      0.0898780              1.0000000        
H   1
  1      4.6752300              1.0000000        
H   1
  1      2.5048000              1.0000000        
H   1
  1      1.4142100              1.0000000        
H   1
  1      0.8618090              1.0000000        
H   1
  1      0.3448680              1.0000000        
I   1
  1      2.3151300              1.0000000        
I   1
  1      1.7242600              1.0000000        
I   1
  1      0.6584670              1.0000000        


name: cc-pwCVTZ-PP MP2 Fitting
description: cc-pwCVTZ-PP MP2 fitting auxiliary basis set
elt: Nb
data:
NIOBIUM
S   1
  1     21.7722000              1.0000000        
S   1
  1      5.9185400              1.0000000        
S   1
  1      3.8870900              1.0000000        
S   1
  1      3.0407200              1.0000000        
S   1
  1      2.3162400              1.0000000        
S   1
  1      0.9761380              1.0000000        
S   1
  1      0.6571490              1.0000000        
S   1
  1      0.4215400              1.0000000        
S   1
  1      0.2369660              1.0000000        
S   1
  1      0.1139130              1.0000000        
S   1
  1      0.0599680              1.0000000        
P   1
  1     13.0455000              1.0000000        
P   1
  1      7.3244800              1.0000000        
P   1
  1      4.3774400              1.0000000        
P   1
  1      2.9980200              1.0000000        
P   1
  1      1.5016900              1.0000000        
P   1
  1      0.8994820              1.0000000        
P   1
  1      0.6026250              1.0000000        
P   1
  1      0.3710280              1.0000000        
P   1
  1      0.2036020              1.0000000        
P   1
  1      0.1035930              1.0000000        
P   1
  1      0.0555270              1.0000000        
D   1
  1      7.5340800              1.0000000        
D   1
  1      5.6205500              1.0000000        
D   1
  1      3.3031800              1.0000000        
D   1
  1      1.8330000              1.0000000        
D   1
  1      1.4095000              1.0000000        
D   1
  1      0.7736680              1.0000000        
D   1
  1      0.4851900              1.0000000        
D   1
  1      0.2818040              1.0000000        
D   1
  1      0.1434330              1.0000000        
D   1
  1      0.0733410              1.0000000        
F   1
  1      6.3177600              1.0000000        
F   1
  1      4.4833700              1.0000000        
F   1
  1      2.9269300              1.0000000        
F   1
  1      1.8406000              1.0000000        
F   1
  1      1.0292500              1.0000000        
F   1
  1      0.5720260              1.0000000        
F   1
  1      0.2973710              1.0000000        
F   1
  1      0.1467860              1.0000000        
F   1
  1      0.0754520              1.0000000        
G   1
  1      7.0935300              1.0000000        
G   1
  1      3.1831700              1.0000000        
G   1
  1      2.3385600              1.0000000        
G   1
  1      1.4502900              1.0000000        
G   1
  1      0.9009500              1.0000000        
G   1
  1      0.4887410              1.0000000        
G   1
  1      0.2121470              1.0000000        
G   1
  1      0.1019520              1.0000000        
H   1
  1      4.8029200              1.0000000        
H   1
  1      2.6211800              1.0000000        
H   1
  1      1.5840300              1.0000000        
H   1
  1      0.9722200              1.0000000        
H   1
  1      0.4421300              1.0000000        
I   1
  1      2.6063000              1.0000000        
I   1
  1      1.7607300              1.0000000        
I   1
  1      0.8662560              1.0000000        


name: cc-pwCVTZ-PP MP2 Fitting
description: cc-pwCVTZ-PP MP2 fitting auxiliary basis set
elt: Mo
data:
MOLYBDENUM
S   1
  1     30.5056000              1.0000000        
S   1
  1      6.5017700              1.0000000        
S   1
  1      4.6448000              1.0000000        
S   1
  1      3.6934300              1.0000000        
S   1
  1      2.8704200              1.0000000        
S   1
  1      1.1821500              1.0000000        
S   1
  1      0.7228060              1.0000000        
S   1
  1      0.4527400              1.0000000        
S   1
  1      0.2204150              1.0000000        
S   1
  1      0.1067860              1.0000000        
S   1
  1      0.0621620              1.0000000        
P   1
  1     16.0678000              1.0000000        
P   1
  1      8.0011400              1.0000000        
P   1
  1      4.9252300              1.0000000        
P   1
  1      3.1278100              1.0000000        
P   1
  1      1.7958100              1.0000000        
P   1
  1      1.0285500              1.0000000        
P   1
  1      0.6516490              1.0000000        
P   1
  1      0.3947380              1.0000000        
P   1
  1      0.2113920              1.0000000        
P   1
  1      0.1125770              1.0000000        
P   1
  1      0.0602760              1.0000000        
D   1
  1      7.9828300              1.0000000        
D   1
  1      5.7732700              1.0000000        
D   1
  1      3.7330300              1.0000000        
D   1
  1      2.0703000              1.0000000        
D   1
  1      1.4917600              1.0000000        
D   1
  1      0.8420290              1.0000000        
D   1
  1      0.5320430              1.0000000        
D   1
  1      0.3040890              1.0000000        
D   1
  1      0.1671110              1.0000000        
D   1
  1      0.0825190              1.0000000        
F   1
  1      6.6400100              1.0000000        
F   1
  1      4.8360000              1.0000000        
F   1
  1      3.2686100              1.0000000        
F   1
  1      2.0224700              1.0000000        
F   1
  1      1.1785800              1.0000000        
F   1
  1      0.6558620              1.0000000        
F   1
  1      0.3808330              1.0000000        
F   1
  1      0.1818250              1.0000000        
F   1
  1      0.0849280              1.0000000        
G   1
  1      7.6000000              1.0000000        
G   1
  1      3.5362300              1.0000000        
G   1
  1      2.5899200              1.0000000        
G   1
  1      1.5651500              1.0000000        
G   1
  1      1.0077400              1.0000000        
G   1
  1      0.5993870              1.0000000        
G   1
  1      0.2766390              1.0000000        
G   1
  1      0.1302160              1.0000000        
H   1
  1      5.0493200              1.0000000        
H   1
  1      3.1363900              1.0000000        
H   1
  1      1.7720000              1.0000000        
H   1
  1      1.1520300              1.0000000        
H   1
  1      0.5634530              1.0000000        
I   1
  1      3.0230200              1.0000000        
I   1
  1      2.0213600              1.0000000        
I   1
  1      1.0743200              1.0000000        


name: cc-pwCVTZ-PP MP2 Fitting
description: cc-pwCVTZ-PP MP2 fitting auxiliary basis set
elt: Tc
data:
TECHNETIUM
S   1
  1     49.1221000              1.0000000        
S   1
  1     10.6644000              1.0000000        
S   1
  1      6.2575100              1.0000000        
S   1
  1      4.6143500              1.0000000        
S   1
  1      3.4825500              1.0000000        
S   1
  1      1.4051600              1.0000000        
S   1
  1      0.8779610              1.0000000        
S   1
  1      0.5683160              1.0000000        
S   1
  1      0.2375760              1.0000000        
S   1
  1      0.1149220              1.0000000        
S   1
  1      0.0665080              1.0000000        
P   1
  1     19.8731000              1.0000000        
P   1
  1      8.7388900              1.0000000        
P   1
  1      5.1829200              1.0000000        
P   1
  1      3.5092800              1.0000000        
P   1
  1      2.0845600              1.0000000        
P   1
  1      1.1405800              1.0000000        
P   1
  1      0.7097940              1.0000000        
P   1
  1      0.4496270              1.0000000        
P   1
  1      0.2287770              1.0000000        
P   1
  1      0.1152880              1.0000000        
P   1
  1      0.0614960              1.0000000        
D   1
  1      8.4322600              1.0000000        
D   1
  1      6.1296700              1.0000000        
D   1
  1      4.1960500              1.0000000        
D   1
  1      2.2590900              1.0000000        
D   1
  1      1.5315000              1.0000000        
D   1
  1      0.9455030              1.0000000        
D   1
  1      0.6041930              1.0000000        
D   1
  1      0.3187170              1.0000000        
D   1
  1      0.1816540              1.0000000        
D   1
  1      0.0896490              1.0000000        
F   1
  1      6.9866800              1.0000000        
F   1
  1      5.1843700              1.0000000        
F   1
  1      3.6666800              1.0000000        
F   1
  1      2.0835300              1.0000000        
F   1
  1      1.3818700              1.0000000        
F   1
  1      0.7419070              1.0000000        
F   1
  1      0.4718300              1.0000000        
F   1
  1      0.1955200              1.0000000        
F   1
  1      0.0907160              1.0000000        
G   1
  1      8.2258800              1.0000000        
G   1
  1      4.0031900              1.0000000        
G   1
  1      2.9007600              1.0000000        
G   1
  1      1.7283500              1.0000000        
G   1
  1      1.1011700              1.0000000        
G   1
  1      0.7167850              1.0000000        
G   1
  1      0.3398440              1.0000000        
G   1
  1      0.1366690              1.0000000        
H   1
  1      5.2805400              1.0000000        
H   1
  1      3.6491800              1.0000000        
H   1
  1      1.9405300              1.0000000        
H   1
  1      1.2902200              1.0000000        
H   1
  1      0.6862070              1.0000000        
I   1
  1      3.4874000              1.0000000        
I   1
  1      2.2708300              1.0000000        
I   1
  1      1.2899300              1.0000000        


name: cc-pwCVTZ-PP MP2 Fitting
description: cc-pwCVTZ-PP MP2 fitting auxiliary basis set
elt: Ru
data:
RUTHENIUM
S   1
  1     62.3767000              1.0000000        
S   1
  1     15.3924000              1.0000000        
S   1
  1      6.8764000              1.0000000        
S   1
  1      4.7525900              1.0000000        
S   1
  1      3.6847900              1.0000000        
S   1
  1      1.7319200              1.0000000        
S   1
  1      0.9839860              1.0000000        
S   1
  1      0.5781190              1.0000000        
S   1
  1      0.2271700              1.0000000        
S   1
  1      0.1234440              1.0000000        
S   1
  1      0.0697410              1.0000000        
P   1
  1     23.9582000              1.0000000        
P   1
  1      9.2629800              1.0000000        
P   1
  1      5.5810700              1.0000000        
P   1
  1      3.7786000              1.0000000        
P   1
  1      2.4962000              1.0000000        
P   1
  1      1.2835700              1.0000000        
P   1
  1      0.7368710              1.0000000        
P   1
  1      0.4987270              1.0000000        
P   1
  1      0.2525990              1.0000000        
P   1
  1      0.1283860              1.0000000        
P   1
  1      0.0626490              1.0000000        
D   1
  1      8.8124400              1.0000000        
D   1
  1      6.3814500              1.0000000        
D   1
  1      4.7165800              1.0000000        
D   1
  1      2.4890600              1.0000000        
D   1
  1      1.6265100              1.0000000        
D   1
  1      1.0454600              1.0000000        
D   1
  1      0.6766570              1.0000000        
D   1
  1      0.3398650              1.0000000        
D   1
  1      0.1964340              1.0000000        
D   1
  1      0.0978160              1.0000000        
F   1
  1      7.6193300              1.0000000        
F   1
  1      5.5114400              1.0000000        
F   1
  1      4.0078700              1.0000000        
F   1
  1      2.2050100              1.0000000        
F   1
  1      1.5296300              1.0000000        
F   1
  1      0.7817720              1.0000000        
F   1
  1      0.4478210              1.0000000        
F   1
  1      0.2042350              1.0000000        
F   1
  1      0.0977630              1.0000000        
G   1
  1      9.0905700              1.0000000        
G   1
  1      4.6212700              1.0000000        
G   1
  1      3.4073600              1.0000000        
G   1
  1      2.0659100              1.0000000        
G   1
  1      1.3498300              1.0000000        
G   1
  1      0.7887880              1.0000000        
G   1
  1      0.3560420              1.0000000        
G   1
  1      0.1588790              1.0000000        
H   1
  1      5.5671100              1.0000000        
H   1
  1      4.0855600              1.0000000        
H   1
  1      2.2520700              1.0000000        
H   1
  1      1.4197100              1.0000000        
H   1
  1      0.7675640              1.0000000        
I   1
  1      3.8946100              1.0000000        
I   1
  1      2.6761800              1.0000000        
I   1
  1      1.4787800              1.0000000        


name: cc-pwCVTZ-PP MP2 Fitting
description: cc-pwCVTZ-PP MP2 fitting auxiliary basis set
elt: Rh
data:
RHODIUM
S   1
  1     73.9751000              1.0000000        
S   1
  1     20.9512000              1.0000000        
S   1
  1      7.4337900              1.0000000        
S   1
  1      4.9436600              1.0000000        
S   1
  1      3.9527400              1.0000000        
S   1
  1      2.0572100              1.0000000        
S   1
  1      1.0556800              1.0000000        
S   1
  1      0.6279730              1.0000000        
S   1
  1      0.2774280              1.0000000        
S   1
  1      0.1547710              1.0000000        
S   1
  1      0.0814390              1.0000000        
P   1
  1     28.1025000              1.0000000        
P   1
  1      9.7052400              1.0000000        
P   1
  1      6.2254200              1.0000000        
P   1
  1      4.0053800              1.0000000        
P   1
  1      2.8659000              1.0000000        
P   1
  1      1.4690800              1.0000000        
P   1
  1      0.8087010              1.0000000        
P   1
  1      0.5498870              1.0000000        
P   1
  1      0.2945840              1.0000000        
P   1
  1      0.1427040              1.0000000        
P   1
  1      0.0633910              1.0000000        
D   1
  1     10.0068000              1.0000000        
D   1
  1      6.9258300              1.0000000        
D   1
  1      5.2241500              1.0000000        
D   1
  1      2.8120500              1.0000000        
D   1
  1      1.8018000              1.0000000        
D   1
  1      1.2360700              1.0000000        
D   1
  1      0.7478530              1.0000000        
D   1
  1      0.3597550              1.0000000        
D   1
  1      0.1967660              1.0000000        
D   1
  1      0.0926650              1.0000000        
F   1
  1      8.7109500              1.0000000        
F   1
  1      5.6777100              1.0000000        
F   1
  1      4.5646500              1.0000000        
F   1
  1      2.4267800              1.0000000        
F   1
  1      1.7199500              1.0000000        
F   1
  1      0.8531290              1.0000000        
F   1
  1      0.4386620              1.0000000        
F   1
  1      0.2061450              1.0000000        
F   1
  1      0.1135660              1.0000000        
G   1
  1     11.6144000              1.0000000        
G   1
  1      5.1851700              1.0000000        
G   1
  1      3.9313500              1.0000000        
G   1
  1      2.4653700              1.0000000        
G   1
  1      1.5895300              1.0000000        
G   1
  1      0.8736400              1.0000000        
G   1
  1      0.3781780              1.0000000        
G   1
  1      0.1650230              1.0000000        
H   1
  1      6.1476000              1.0000000        
H   1
  1      4.5431700              1.0000000        
H   1
  1      2.4953700              1.0000000        
H   1
  1      1.6571200              1.0000000        
H   1
  1      0.8648910              1.0000000        
I   1
  1      4.3168400              1.0000000        
I   1
  1      3.0381000              1.0000000        
I   1
  1      1.6738300              1.0000000        


name: cc-pwCVTZ-PP MP2 Fitting
description: cc-pwCVTZ-PP MP2 fitting auxiliary basis set
elt: Pd
data:
PALLADIUM
S   1
  1     84.1926000              1.0000000        
S   1
  1     23.9863000              1.0000000        
S   1
  1      8.5999000              1.0000000        
S   1
  1      5.2417300              1.0000000        
S   1
  1      4.0198400              1.0000000        
S   1
  1      2.5103700              1.0000000        
S   1
  1      1.2131100              1.0000000        
S   1
  1      0.7190250              1.0000000        
S   1
  1      0.2891430              1.0000000        
S   1
  1      0.1630250              1.0000000        
S   1
  1      0.0836790              1.0000000        
P   1
  1     33.2959000              1.0000000        
P   1
  1     10.3709000              1.0000000        
P   1
  1      6.7078700              1.0000000        
P   1
  1      4.2042200              1.0000000        
P   1
  1      3.3437000              1.0000000        
P   1
  1      1.7023800              1.0000000        
P   1
  1      0.8842640              1.0000000        
P   1
  1      0.6060940              1.0000000        
P   1
  1      0.3183950              1.0000000        
P   1
  1      0.1559410              1.0000000        
P   1
  1      0.0639660              1.0000000        
D   1
  1     10.8629000              1.0000000        
D   1
  1      7.2309500              1.0000000        
D   1
  1      5.7427300              1.0000000        
D   1
  1      3.0739200              1.0000000        
D   1
  1      1.8157100              1.0000000        
D   1
  1      1.5099200              1.0000000        
D   1
  1      0.8318470              1.0000000        
D   1
  1      0.3971960              1.0000000        
D   1
  1      0.2107720              1.0000000        
D   1
  1      0.0996770              1.0000000        
F   1
  1      9.7597600              1.0000000        
F   1
  1      6.5258600              1.0000000        
F   1
  1      5.5060800              1.0000000        
F   1
  1      2.9400800              1.0000000        
F   1
  1      1.9166700              1.0000000        
F   1
  1      0.9741060              1.0000000        
F   1
  1      0.4805400              1.0000000        
F   1
  1      0.2308450              1.0000000        
F   1
  1      0.1329110              1.0000000        
G   1
  1     16.3785000              1.0000000        
G   1
  1      8.3768600              1.0000000        
G   1
  1      4.9170200              1.0000000        
G   1
  1      3.2530900              1.0000000        
G   1
  1      1.9146000              1.0000000        
G   1
  1      1.0343600              1.0000000        
G   1
  1      0.4431270              1.0000000        
G   1
  1      0.1944770              1.0000000        
H   1
  1      6.9210800              1.0000000        
H   1
  1      5.1544500              1.0000000        
H   1
  1      2.9085300              1.0000000        
H   1
  1      1.8809000              1.0000000        
H   1
  1      0.9981580              1.0000000        
I   1
  1      4.8924300              1.0000000        
I   1
  1      3.3706100              1.0000000        
I   1
  1      1.9221700              1.0000000        


name: cc-pwCVTZ-PP MP2 Fitting
description: cc-pwCVTZ-PP MP2 fitting auxiliary basis set
elt: Hf
data:
HAFNIUM
S   1
  1     14.4115000              1.0000000        
S   1
  1      7.6043700              1.0000000        
S   1
  1      4.7882400              1.0000000        
S   1
  1      2.6936800              1.0000000        
S   1
  1      1.7871400              1.0000000        
S   1
  1      0.8682040              1.0000000        
S   1
  1      0.7220430              1.0000000        
S   1
  1      0.2011060              1.0000000        
S   1
  1      0.1312440              1.0000000        
S   1
  1      0.0687560              1.0000000        
S   1
  1      0.0463650              1.0000000        
S   1
  1      0.0159510              1.0000000        
P   1
  1      7.1152700              1.0000000        
P   1
  1      5.8246900              1.0000000        
P   1
  1      4.1497400              1.0000000        
P   1
  1      3.2684800              1.0000000        
P   1
  1      1.4836700              1.0000000        
P   1
  1      0.8811310              1.0000000        
P   1
  1      0.4305530              1.0000000        
P   1
  1      0.1902940              1.0000000        
P   1
  1      0.1290460              1.0000000        
P   1
  1      0.0883990              1.0000000        
P   1
  1      0.0654220              1.0000000        
P   1
  1      0.0250360              1.0000000        
D   1
  1      5.0442100              1.0000000        
D   1
  1      4.1362700              1.0000000        
D   1
  1      3.3569900              1.0000000        
D   1
  1      1.4800400              1.0000000        
D   1
  1      0.8733720              1.0000000        
D   1
  1      0.5548910              1.0000000        
D   1
  1      0.3070350              1.0000000        
D   1
  1      0.1450820              1.0000000        
D   1
  1      0.0754070              1.0000000        
D   1
  1      0.0376430              1.0000000        
D   1
  1      0.0094370              1.0000000        
F   1
  1      7.8565800              1.0000000        
F   1
  1      4.5671000              1.0000000        
F   1
  1      3.2906700              1.0000000        
F   1
  1      1.6518500              1.0000000        
F   1
  1      1.0143100              1.0000000        
F   1
  1      0.5285260              1.0000000        
F   1
  1      0.2405820              1.0000000        
F   1
  1      0.1205880              1.0000000        
F   1
  1      0.0637860              1.0000000        
G   1
  1      5.1398700              1.0000000        
G   1
  1      2.4469500              1.0000000        
G   1
  1      1.6496700              1.0000000        
G   1
  1      0.8765930              1.0000000        
G   1
  1      0.4205160              1.0000000        
G   1
  1      0.1879480              1.0000000        
G   1
  1      0.0886060              1.0000000        
H   1
  1      4.4197600              1.0000000        
H   1
  1      2.0170000              1.0000000        
H   1
  1      1.0963600              1.0000000        
H   1
  1      0.6772100              1.0000000        
H   1
  1      0.2791640              1.0000000        
I   1
  1      1.8092300              1.0000000        
I   1
  1      1.0131100              1.0000000        
I   1
  1      0.5234070              1.0000000        


name: cc-pwCVTZ-PP MP2 Fitting
description: cc-pwCVTZ-PP MP2 fitting auxiliary basis set
elt: Ta
data:
TANTALUM
S   1
  1     15.8216000              1.0000000        
S   1
  1      7.8063600              1.0000000        
S   1
  1      5.2271800              1.0000000        
S   1
  1      3.3383400              1.0000000        
S   1
  1      2.3512700              1.0000000        
S   1
  1      1.5401700              1.0000000        
S   1
  1      0.7444690              1.0000000        
S   1
  1      0.4638750              1.0000000        
S   1
  1      0.2530360              1.0000000        
S   1
  1      0.1507390              1.0000000        
S   1
  1      0.0714380              1.0000000        
S   1
  1      0.0327490              1.0000000        
P   1
  1      7.9738200              1.0000000        
P   1
  1      6.1056800              1.0000000        
P   1
  1      4.7993600              1.0000000        
P   1
  1      3.5282900              1.0000000        
P   1
  1      1.5909100              1.0000000        
P   1
  1      0.9192230              1.0000000        
P   1
  1      0.5519510              1.0000000        
P   1
  1      0.2655140              1.0000000        
P   1
  1      0.1594520              1.0000000        
P   1
  1      0.1058060              1.0000000        
P   1
  1      0.0387760              1.0000000        
P   1
  1      0.0267120              1.0000000        
D   1
  1      5.7070300              1.0000000        
D   1
  1      4.6240900              1.0000000        
D   1
  1      3.3201400              1.0000000        
D   1
  1      1.7353700              1.0000000        
D   1
  1      0.9927220              1.0000000        
D   1
  1      0.6279360              1.0000000        
D   1
  1      0.3728790              1.0000000        
D   1
  1      0.1788650              1.0000000        
D   1
  1      0.0899730              1.0000000        
D   1
  1      0.0383870              1.0000000        
D   1
  1      0.0104140              1.0000000        
F   1
  1      7.2319600              1.0000000        
F   1
  1      4.6245200              1.0000000        
F   1
  1      3.3217800              1.0000000        
F   1
  1      1.7647200              1.0000000        
F   1
  1      1.0654500              1.0000000        
F   1
  1      0.6334850              1.0000000        
F   1
  1      0.2891940              1.0000000        
F   1
  1      0.1413650              1.0000000        
F   1
  1      0.0785990              1.0000000        
G   1
  1      5.1103600              1.0000000        
G   1
  1      3.0364400              1.0000000        
G   1
  1      1.9833800              1.0000000        
G   1
  1      1.0533300              1.0000000        
G   1
  1      0.5420340              1.0000000        
G   1
  1      0.2315040              1.0000000        
G   1
  1      0.1144120              1.0000000        
H   1
  1      5.3867000              1.0000000        
H   1
  1      2.3221100              1.0000000        
H   1
  1      1.2084300              1.0000000        
H   1
  1      0.8044630              1.0000000        
H   1
  1      0.3622130              1.0000000        
I   1
  1      2.1486600              1.0000000        
I   1
  1      1.2991100              1.0000000        
I   1
  1      0.6954350              1.0000000        


name: cc-pwCVTZ-PP MP2 Fitting
description: cc-pwCVTZ-PP MP2 fitting auxiliary basis set
elt: W
data:
TUNGSTEN
S   1
  1     17.8398000              1.0000000        
S   1
  1      8.1933700              1.0000000        
S   1
  1      6.0941400              1.0000000        
S   1
  1      4.2380100              1.0000000        
S   1
  1      2.8801400              1.0000000        
S   1
  1      1.6953300              1.0000000        
S   1
  1      0.8628130              1.0000000        
S   1
  1      0.6145240              1.0000000        
S   1
  1      0.2991880              1.0000000        
S   1
  1      0.1524210              1.0000000        
S   1
  1      0.0853100              1.0000000        
S   1
  1      0.0485030              1.0000000        
P   1
  1      9.4685000              1.0000000        
P   1
  1      7.4428000              1.0000000        
P   1
  1      5.9824600              1.0000000        
P   1
  1      3.6784600              1.0000000        
P   1
  1      1.7207000              1.0000000        
P   1
  1      1.1864200              1.0000000        
P   1
  1      0.6433610              1.0000000        
P   1
  1      0.3484600              1.0000000        
P   1
  1      0.2128690              1.0000000        
P   1
  1      0.1284850              1.0000000        
P   1
  1      0.0488070              1.0000000        
P   1
  1      0.0283420              1.0000000        
D   1
  1      6.3274400              1.0000000        
D   1
  1      5.1794400              1.0000000        
D   1
  1      3.4075000              1.0000000        
D   1
  1      1.9434700              1.0000000        
D   1
  1      1.1372700              1.0000000        
D   1
  1      0.7710540              1.0000000        
D   1
  1      0.4167940              1.0000000        
D   1
  1      0.1980160              1.0000000        
D   1
  1      0.0956660              1.0000000        
D   1
  1      0.0509610              1.0000000        
D   1
  1      0.0130110              1.0000000        
F   1
  1      7.0675200              1.0000000        
F   1
  1      4.9988200              1.0000000        
F   1
  1      3.6134200              1.0000000        
F   1
  1      1.8676100              1.0000000        
F   1
  1      1.1285800              1.0000000        
F   1
  1      0.6583950              1.0000000        
F   1
  1      0.3344120              1.0000000        
F   1
  1      0.1561280              1.0000000        
F   1
  1      0.0914050              1.0000000        
G   1
  1      5.1230100              1.0000000        
G   1
  1      3.3145000              1.0000000        
G   1
  1      2.1443400              1.0000000        
G   1
  1      1.1563400              1.0000000        
G   1
  1      0.6210130              1.0000000        
G   1
  1      0.2661620              1.0000000        
G   1
  1      0.1310480              1.0000000        
H   1
  1      6.0459300              1.0000000        
H   1
  1      2.6464900              1.0000000        
H   1
  1      1.4985200              1.0000000        
H   1
  1      0.9811160              1.0000000        
H   1
  1      0.4438210              1.0000000        
I   1
  1      2.4824200              1.0000000        
I   1
  1      1.5860800              1.0000000        
I   1
  1      0.8828320              1.0000000        


name: cc-pwCVTZ-PP MP2 Fitting
description: cc-pwCVTZ-PP MP2 fitting auxiliary basis set
elt: Re
data:
RHENIUM
S   1
  1     20.9329000              1.0000000        
S   1
  1     12.0178000              1.0000000        
S   1
  1      7.1603700              1.0000000        
S   1
  1      4.3997400              1.0000000        
S   1
  1      3.0111000              1.0000000        
S   1
  1      1.9625800              1.0000000        
S   1
  1      0.9213390              1.0000000        
S   1
  1      0.6318480              1.0000000        
S   1
  1      0.3360320              1.0000000        
S   1
  1      0.1604370              1.0000000        
S   1
  1      0.1013240              1.0000000        
S   1
  1      0.0549470              1.0000000        
P   1
  1     11.2963000              1.0000000        
P   1
  1      7.5921000              1.0000000        
P   1
  1      6.0842800              1.0000000        
P   1
  1      3.8133500              1.0000000        
P   1
  1      1.8929700              1.0000000        
P   1
  1      1.1974500              1.0000000        
P   1
  1      0.7450310              1.0000000        
P   1
  1      0.3979470              1.0000000        
P   1
  1      0.2168430              1.0000000        
P   1
  1      0.1381420              1.0000000        
P   1
  1      0.0566800              1.0000000        
P   1
  1      0.0305920              1.0000000        
D   1
  1      6.8305900              1.0000000        
D   1
  1      5.6490500              1.0000000        
D   1
  1      3.6073500              1.0000000        
D   1
  1      2.6292300              1.0000000        
D   1
  1      1.3060300              1.0000000        
D   1
  1      0.8936040              1.0000000        
D   1
  1      0.4787330              1.0000000        
D   1
  1      0.2303220              1.0000000        
D   1
  1      0.1331550              1.0000000        
D   1
  1      0.0840810              1.0000000        
D   1
  1      0.0211380              1.0000000        
F   1
  1      7.4340700              1.0000000        
F   1
  1      5.0834000              1.0000000        
F   1
  1      3.8975100              1.0000000        
F   1
  1      2.1046900              1.0000000        
F   1
  1      1.2794800              1.0000000        
F   1
  1      0.7935320              1.0000000        
F   1
  1      0.3927850              1.0000000        
F   1
  1      0.2104220              1.0000000        
F   1
  1      0.0952140              1.0000000        
G   1
  1      5.1544700              1.0000000        
G   1
  1      3.7515900              1.0000000        
G   1
  1      2.4295900              1.0000000        
G   1
  1      1.2968400              1.0000000        
G   1
  1      0.7722730              1.0000000        
G   1
  1      0.3337580              1.0000000        
G   1
  1      0.1865410              1.0000000        
H   1
  1      6.4716700              1.0000000        
H   1
  1      2.9829900              1.0000000        
H   1
  1      1.8111200              1.0000000        
H   1
  1      1.1705500              1.0000000        
H   1
  1      0.5418700              1.0000000        
I   1
  1      2.7610500              1.0000000        
I   1
  1      1.9975400              1.0000000        
I   1
  1      1.0855400              1.0000000        


name: cc-pwCVTZ-PP MP2 Fitting
description: cc-pwCVTZ-PP MP2 fitting auxiliary basis set
elt: Os
data:
OSMIUM
S   1
  1     23.0599000              1.0000000        
S   1
  1     13.0873000              1.0000000        
S   1
  1      7.4853300              1.0000000        
S   1
  1      4.7216300              1.0000000        
S   1
  1      3.0692400              1.0000000        
S   1
  1      2.0927700              1.0000000        
S   1
  1      1.0245000              1.0000000        
S   1
  1      0.6499450              1.0000000        
S   1
  1      0.3445530              1.0000000        
S   1
  1      0.1616680              1.0000000        
S   1
  1      0.0980470              1.0000000        
S   1
  1      0.0535330              1.0000000        
P   1
  1     12.2468000              1.0000000        
P   1
  1      7.7085100              1.0000000        
P   1
  1      6.1211900              1.0000000        
P   1
  1      4.1910700              1.0000000        
P   1
  1      2.0494400              1.0000000        
P   1
  1      1.3155300              1.0000000        
P   1
  1      0.8661560              1.0000000        
P   1
  1      0.4117460              1.0000000        
P   1
  1      0.2478140              1.0000000        
P   1
  1      0.1459730              1.0000000        
P   1
  1      0.0611810              1.0000000        
P   1
  1      0.0348970              1.0000000        
D   1
  1      7.5448000              1.0000000        
D   1
  1      6.1204900              1.0000000        
D   1
  1      3.7366600              1.0000000        
D   1
  1      2.6851200              1.0000000        
D   1
  1      1.4218400              1.0000000        
D   1
  1      0.9816050              1.0000000        
D   1
  1      0.5209830              1.0000000        
D   1
  1      0.2498040              1.0000000        
D   1
  1      0.1346260              1.0000000        
D   1
  1      0.0841760              1.0000000        
D   1
  1      0.0212480              1.0000000        
F   1
  1      8.1065800              1.0000000        
F   1
  1      5.6473300              1.0000000        
F   1
  1      4.3357100              1.0000000        
F   1
  1      2.3166600              1.0000000        
F   1
  1      1.4261500              1.0000000        
F   1
  1      0.8796710              1.0000000        
F   1
  1      0.4453320              1.0000000        
F   1
  1      0.2292220              1.0000000        
F   1
  1      0.1038590              1.0000000        
G   1
  1      6.2742600              1.0000000        
G   1
  1      4.1036300              1.0000000        
G   1
  1      2.8191400              1.0000000        
G   1
  1      1.4572600              1.0000000        
G   1
  1      0.8676070              1.0000000        
G   1
  1      0.3673190              1.0000000        
G   1
  1      0.2008630              1.0000000        
H   1
  1      6.8421800              1.0000000        
H   1
  1      3.2095300              1.0000000        
H   1
  1      1.9355100              1.0000000        
H   1
  1      1.2801500              1.0000000        
H   1
  1      0.6077250              1.0000000        
I   1
  1      3.0329500              1.0000000        
I   1
  1      2.0041900              1.0000000        
I   1
  1      1.1966200              1.0000000        


name: cc-pwCVTZ-PP MP2 Fitting
description: cc-pwCVTZ-PP MP2 fitting auxiliary basis set
elt: Ir
data:
IRIDIUM
S   1
  1     25.8715000              1.0000000        
S   1
  1     14.3182000              1.0000000        
S   1
  1      7.7136600              1.0000000        
S   1
  1      4.8887100              1.0000000        
S   1
  1      3.1906900              1.0000000        
S   1
  1      2.2183600              1.0000000        
S   1
  1      1.2000500              1.0000000        
S   1
  1      0.6406250              1.0000000        
S   1
  1      0.3652750              1.0000000        
S   1
  1      0.1670760              1.0000000        
S   1
  1      0.0981720              1.0000000        
S   1
  1      0.0558070              1.0000000        
P   1
  1     14.7449000              1.0000000        
P   1
  1      8.3754400              1.0000000        
P   1
  1      6.2717000              1.0000000        
P   1
  1      4.0485800              1.0000000        
P   1
  1      2.4400100              1.0000000        
P   1
  1      1.4679600              1.0000000        
P   1
  1      0.9536730              1.0000000        
P   1
  1      0.4963150              1.0000000        
P   1
  1      0.2517260              1.0000000        
P   1
  1      0.1723570              1.0000000        
P   1
  1      0.0822540              1.0000000        
P   1
  1      0.0456680              1.0000000        
D   1
  1      7.8890600              1.0000000        
D   1
  1      6.3137500              1.0000000        
D   1
  1      3.9775500              1.0000000        
D   1
  1      2.8104600              1.0000000        
D   1
  1      1.7567300              1.0000000        
D   1
  1      1.0223500              1.0000000        
D   1
  1      0.5715610              1.0000000        
D   1
  1      0.2765170              1.0000000        
D   1
  1      0.1402800              1.0000000        
D   1
  1      0.0919480              1.0000000        
D   1
  1      0.0317520              1.0000000        
F   1
  1      9.9539200              1.0000000        
F   1
  1      6.5999900              1.0000000        
F   1
  1      4.6483300              1.0000000        
F   1
  1      2.6686500              1.0000000        
F   1
  1      1.6630100              1.0000000        
F   1
  1      1.0400000              1.0000000        
F   1
  1      0.5166700              1.0000000        
F   1
  1      0.2767340              1.0000000        
F   1
  1      0.1576550              1.0000000        
G   1
  1      8.2176400              1.0000000        
G   1
  1      4.3599300              1.0000000        
G   1
  1      3.2726600              1.0000000        
G   1
  1      1.6198200              1.0000000        
G   1
  1      0.9702100              1.0000000        
G   1
  1      0.4099830              1.0000000        
G   1
  1      0.2297920              1.0000000        
H   1
  1      7.0374600              1.0000000        
H   1
  1      3.4904700              1.0000000        
H   1
  1      2.1249300              1.0000000        
H   1
  1      1.4238900              1.0000000        
H   1
  1      0.6852050              1.0000000        
I   1
  1      3.3031800              1.0000000        
I   1
  1      2.3188600              1.0000000        
I   1
  1      1.3494600              1.0000000        


name: cc-pwCVTZ-PP MP2 Fitting
description: cc-pwCVTZ-PP MP2 fitting auxiliary basis set
elt: Pt
data:
PLATINUM
S   1
  1     29.8133000              1.0000000        
S   1
  1     14.3791000              1.0000000        
S   1
  1      8.3564100              1.0000000        
S   1
  1      5.1751800              1.0000000        
S   1
  1      3.0806200              1.0000000        
S   1
  1      2.5212400              1.0000000        
S   1
  1      1.3049100              1.0000000        
S   1
  1      0.6895930              1.0000000        
S   1
  1      0.4226090              1.0000000        
S   1
  1      0.2475590              1.0000000        
S   1
  1      0.1301020              1.0000000        
S   1
  1      0.0440080              1.0000000        
P   1
  1     18.0555000              1.0000000        
P   1
  1      8.7881000              1.0000000        
P   1
  1      6.1348600              1.0000000        
P   1
  1      4.1584800              1.0000000        
P   1
  1      2.7399500              1.0000000        
P   1
  1      1.4553600              1.0000000        
P   1
  1      1.0812200              1.0000000        
P   1
  1      0.5457170              1.0000000        
P   1
  1      0.2803960              1.0000000        
P   1
  1      0.1360660              1.0000000        
P   1
  1      0.0658530              1.0000000        
P   1
  1      0.0261330              1.0000000        
D   1
  1      8.3904200              1.0000000        
D   1
  1      6.3989500              1.0000000        
D   1
  1      4.3805500              1.0000000        
D   1
  1      3.0890400              1.0000000        
D   1
  1      1.9628000              1.0000000        
D   1
  1      1.1862700              1.0000000        
D   1
  1      0.6406230              1.0000000        
D   1
  1      0.3619640              1.0000000        
D   1
  1      0.1972190              1.0000000        
D   1
  1      0.1133070              1.0000000        
D   1
  1      0.0425210              1.0000000        
F   1
  1     11.9445000              1.0000000        
F   1
  1      7.0624700              1.0000000        
F   1
  1      4.7915600              1.0000000        
F   1
  1      3.0898800              1.0000000        
F   1
  1      1.7695500              1.0000000        
F   1
  1      1.1155400              1.0000000        
F   1
  1      0.5682000              1.0000000        
F   1
  1      0.2903930              1.0000000        
F   1
  1      0.1710970              1.0000000        
G   1
  1      8.0574900              1.0000000        
G   1
  1      4.5905300              1.0000000        
G   1
  1      3.4599300              1.0000000        
G   1
  1      1.7464500              1.0000000        
G   1
  1      1.0001800              1.0000000        
G   1
  1      0.4272270              1.0000000        
G   1
  1      0.2121450              1.0000000        
H   1
  1      7.5781400              1.0000000        
H   1
  1      3.7425200              1.0000000        
H   1
  1      2.2672100              1.0000000        
H   1
  1      1.5467600              1.0000000        
H   1
  1      0.7438090              1.0000000        
I   1
  1      3.5634400              1.0000000        
I   1
  1      2.7495100              1.0000000        
I   1
  1      1.5218800              1.0000000        


name: cc-pwCVTZ-PP MP2 Fitting
description: MP2 auxiliary basis for use with cc-pwCVTZ-PP AO basis set
elt: Pd
data:
PALLADIUM
S   1
  1     84.1926000              1.0000000        
S   1
  1     23.9863000              1.0000000        
S   1
  1      8.5999000              1.0000000        
S   1
  1      5.2417300              1.0000000        
S   1
  1      4.0198400              1.0000000        
S   1
  1      2.5103700              1.0000000        
S   1
  1      1.2131100              1.0000000        
S   1
  1      0.7190250              1.0000000        
S   1
  1      0.2891430              1.0000000        
S   1
  1      0.1630250              1.0000000        
S   1
  1      0.0836790              1.0000000        
P   1
  1     33.2959000              1.0000000        
P   1
  1     10.3709000              1.0000000        
P   1
  1      6.7078700              1.0000000        
P   1
  1      4.2042200              1.0000000        
P   1
  1      3.3437000              1.0000000        
P   1
  1      1.7023800              1.0000000        
P   1
  1      0.8842640              1.0000000        
P   1
  1      0.6060940              1.0000000        
P   1
  1      0.3183950              1.0000000        
P   1
  1      0.1559410              1.0000000        
P   1
  1      0.0639660              1.0000000        
D   1
  1     10.8629000              1.0000000        
D   1
  1      7.2309500              1.0000000        
D   1
  1      5.7427300              1.0000000        
D   1
  1      3.0739200              1.0000000        
D   1
  1      1.8157100              1.0000000        
D   1
  1      1.5099200              1.0000000        
D   1
  1      0.8318470              1.0000000        
D   1
  1      0.3971960              1.0000000        
D   1
  1      0.2107720              1.0000000        
D   1
  1      0.0996770              1.0000000        
F   1
  1      9.7597600              1.0000000        
F   1
  1      6.5258600              1.0000000        
F   1
  1      5.5060800              1.0000000        
F   1
  1      2.9400800              1.0000000        
F   1
  1      1.9166700              1.0000000        
F   1
  1      0.9741060              1.0000000        
F   1
  1      0.4805400              1.0000000        
F   1
  1      0.2308450              1.0000000        
F   1
  1      0.1329110              1.0000000        
G   1
  1     16.3785000              1.0000000        
G   1
  1      8.3768600              1.0000000        
G   1
  1      4.9170200              1.0000000        
G   1
  1      3.2530900              1.0000000        
G   1
  1      1.9146000              1.0000000        
G   1
  1      1.0343600              1.0000000        
G   1
  1      0.4431270              1.0000000        
G   1
  1      0.1944770              1.0000000        
H   1
  1      6.9210800              1.0000000        
H   1
  1      5.1544500              1.0000000        
H   1
  1      2.9085300              1.0000000        
H   1
  1      1.8809000              1.0000000        
H   1
  1      0.9981580              1.0000000        
I   1
  1      4.8924300              1.0000000        
I   1
  1      3.3706100              1.0000000        
I   1
  1      1.9221700              1.0000000        


name: cc-pwCVTZ-RI
elt: Cu
data:
COPPER
S   1
  1     36.233800000            1.0000000        
S   1
  1     22.393300000            1.0000000        
S   1
  1     15.734800000            1.0000000        
S   1
  1     10.645800000            1.0000000        
S   1
  1      5.9938400000           1.0000000        
S   1
  1      3.2852400000           1.0000000        
S   1
  1      1.9278700000           1.0000000        
S   1
  1      0.93842000000          1.0000000        
S   1
  1      0.43458300000          1.0000000        
S   1
  1      0.22069100000          1.0000000        
S   1
  1      0.10225600000          1.0000000        
S   1
  1      0.61337300000E-01            1.0000000        
P   1
  1     32.139700000            1.0000000        
P   1
  1     19.400800000            1.0000000        
P   1
  1     13.019600000            1.0000000        
P   1
  1      8.9284400000           1.0000000        
P   1
  1      5.7717100000           1.0000000        
P   1
  1      3.1745700000           1.0000000        
P   1
  1      1.6452000000           1.0000000        
P   1
  1      0.88908200000          1.0000000        
P   1
  1      0.52035100000          1.0000000        
P   1
  1      0.31185200000          1.0000000        
P   1
  1      0.16550100000          1.0000000        
P   1
  1      0.82921600000E-01            1.0000000        
D   1
  1     33.784700000            1.0000000        
D   1
  1     22.174600000            1.0000000        
D   1
  1     13.352600000            1.0000000        
D   1
  1      8.6826800000           1.0000000        
D   1
  1      5.5049200000           1.0000000        
D   1
  1      3.0745600000           1.0000000        
D   1
  1      1.5074500000           1.0000000        
D   1
  1      0.75226000000          1.0000000        
D   1
  1      0.46232300000          1.0000000        
D   1
  1      0.25701500000          1.0000000        
D   1
  1      0.14039000000          1.0000000        
F   1
  1     32.721400000            1.0000000        
F   1
  1     14.543500000            1.0000000        
F   1
  1      9.4395600000           1.0000000        
F   1
  1      5.6695500000           1.0000000        
F   1
  1      3.3688100000           1.0000000        
F   1
  1      1.9086100000           1.0000000        
F   1
  1      0.90724300000          1.0000000        
F   1
  1      0.41993700000          1.0000000        
F   1
  1      0.21272200000          1.0000000        
G   1
  1     37.093600000            1.0000000        
G   1
  1     16.118800000            1.0000000        
G   1
  1      8.9443700000           1.0000000        
G   1
  1      5.1213900000           1.0000000        
G   1
  1      2.3632500000           1.0000000        
G   1
  1      1.1061800000           1.0000000        
G   1
  1      0.51777600000          1.0000000        
H   1
  1     19.113100000            1.0000000        
H   1
  1     10.857900000            1.0000000        
H   1
  1      5.5790700000           1.0000000        
H   1
  1      2.2707300000           1.0000000        
I   1
  1     16.779900000            1.0000000        
I   1
  1     10.105100000            1.0000000        
I   1
  1      5.0052400000           1.0000000        


name: cc-pwCVTZ-RI
elt: Zn
data:
ZINC
S   1
  1     40.341500000            1.0000000        
S   1
  1     26.676500000            1.0000000        
S   1
  1     18.394900000            1.0000000        
S   1
  1     11.869000000            1.0000000        
S   1
  1      6.8956700000           1.0000000        
S   1
  1      3.9164500000           1.0000000        
S   1
  1      2.2057100000           1.0000000        
S   1
  1      0.96942600000          1.0000000        
S   1
  1      0.45711100000          1.0000000        
S   1
  1      0.24860400000          1.0000000        
S   1
  1      0.12794500000          1.0000000        
S   1
  1      0.78124100000E-01            1.0000000        
P   1
  1     33.391800000            1.0000000        
P   1
  1     21.697300000            1.0000000        
P   1
  1     14.277800000            1.0000000        
P   1
  1      9.3161800000           1.0000000        
P   1
  1      6.7371500000           1.0000000        
P   1
  1      3.8853400000           1.0000000        
P   1
  1      1.9634000000           1.0000000        
P   1
  1      1.0248500000           1.0000000        
P   1
  1      0.59708700000          1.0000000        
P   1
  1      0.36063400000          1.0000000        
P   1
  1      0.19227300000          1.0000000        
P   1
  1      0.95376700000E-01            1.0000000        
D   1
  1     36.186400000            1.0000000        
D   1
  1     24.237700000            1.0000000        
D   1
  1     14.305700000            1.0000000        
D   1
  1      8.8676900000           1.0000000        
D   1
  1      6.1889800000           1.0000000        
D   1
  1      3.5658500000           1.0000000        
D   1
  1      1.7782200000           1.0000000        
D   1
  1      0.86263100000          1.0000000        
D   1
  1      0.53211700000          1.0000000        
D   1
  1      0.30413200000          1.0000000        
D   1
  1      0.16208300000          1.0000000        
F   1
  1     37.566900000            1.0000000        
F   1
  1     16.584700000            1.0000000        
F   1
  1     10.770000000            1.0000000        
F   1
  1      6.3776000000           1.0000000        
F   1
  1      3.4198000000           1.0000000        
F   1
  1      2.1242000000           1.0000000        
F   1
  1      1.0911200000           1.0000000        
F   1
  1      0.44511400000          1.0000000        
F   1
  1      0.21777800000          1.0000000        
G   1
  1     45.377000000            1.0000000        
G   1
  1     16.619900000            1.0000000        
G   1
  1     10.851900000            1.0000000        
G   1
  1      6.4536800000           1.0000000        
G   1
  1      3.0448000000           1.0000000        
G   1
  1      1.4874200000           1.0000000        
G   1
  1      0.56765900000          1.0000000        
H   1
  1     22.539800000            1.0000000        
H   1
  1     12.590700000            1.0000000        
H   1
  1      6.5738100000           1.0000000        
H   1
  1      2.6996000000           1.0000000        
I   1
  1     17.385100000            1.0000000        
I   1
  1     10.114700000            1.0000000        
I   1
  1      5.5154100000           1.0000000        


name: cc-pwCVTZ-RI
elt: Ag
data:
SILVER
S   1
  1     17.611300000            1.0000000        
S   1
  1      9.2276600000           1.0000000        
S   1
  1      6.9356100000           1.0000000        
S   1
  1      4.9528000000           1.0000000        
S   1
  1      2.9673300000           1.0000000        
S   1
  1      1.8140500000           1.0000000        
S   1
  1      1.0442800000           1.0000000        
S   1
  1      0.47865700000          1.0000000        
S   1
  1      0.21988700000          1.0000000        
S   1
  1      0.11125000000          1.0000000        
S   1
  1      0.51326000000E-01            1.0000000        
S   1
  1      0.30706000000E-01            1.0000000        
P   1
  1     16.031700000            1.0000000        
P   1
  1      9.7807400000           1.0000000        
P   1
  1      6.6216300000           1.0000000        
P   1
  1      4.5297100000           1.0000000        
P   1
  1      2.8729600000           1.0000000        
P   1
  1      2.1690300000           1.0000000        
P   1
  1      0.91108800000          1.0000000        
P   1
  1      0.47039700000          1.0000000        
P   1
  1      0.26390500000          1.0000000        
P   1
  1      0.15671300000          1.0000000        
P   1
  1      0.83164400000E-01            1.0000000        
P   1
  1      0.41722300000E-01            1.0000000        
D   1
  1     16.799100000            1.0000000        
D   1
  1     11.052800000            1.0000000        
D   1
  1      6.7459200000           1.0000000        
D   1
  1      4.4353100000           1.0000000        
D   1
  1      2.6505200000           1.0000000        
D   1
  1      1.6927200000           1.0000000        
D   1
  1      0.85110600000          1.0000000        
D   1
  1      0.39826000000          1.0000000        
D   1
  1      0.23655100000          1.0000000        
D   1
  1      0.13059700000          1.0000000        
D   1
  1      0.70718200000E-01            1.0000000        
F   1
  1     13.217000000            1.0000000        
F   1
  1      7.0367200000           1.0000000        
F   1
  1      5.4605100000           1.0000000        
F   1
  1      3.5475800000           1.0000000        
F   1
  1      1.7805100000           1.0000000        
F   1
  1      1.1789500000           1.0000000        
F   1
  1      0.67414700000          1.0000000        
F   1
  1      0.26709100000          1.0000000        
F   1
  1      0.11429500000          1.0000000        
G   1
  1     12.146000000            1.0000000        
G   1
  1      6.0791500000           1.0000000        
G   1
  1      4.7305100000           1.0000000        
G   1
  1      2.3309500000           1.0000000        
G   1
  1      1.4026600000           1.0000000        
G   1
  1      0.73069700000          1.0000000        
G   1
  1      0.33650000000          1.0000000        
H   1
  1      6.6995200000           1.0000000        
H   1
  1      5.2303700000           1.0000000        
H   1
  1      2.6861200000           1.0000000        
H   1
  1      1.2666300000           1.0000000        
I   1
  1      8.2981100000           1.0000000        
I   1
  1      5.0607600000           1.0000000        
I   1
  1      2.3854100000           1.0000000        


name: cc-pwCVTZ-RI
elt: Cd
data:
CADMIUM
S   1
  1     18.719800000            1.0000000        
S   1
  1     11.088200000            1.0000000        
S   1
  1      7.6640400000           1.0000000        
S   1
  1      5.1388900000           1.0000000        
S   1
  1      3.2828600000           1.0000000        
S   1
  1      2.1407500000           1.0000000        
S   1
  1      1.2340700000           1.0000000        
S   1
  1      0.56920500000          1.0000000        
S   1
  1      0.26637000000          1.0000000        
S   1
  1      0.13443800000          1.0000000        
S   1
  1      0.61176500000E-01            1.0000000        
S   1
  1      0.36378500000E-01            1.0000000        
P   1
  1     19.393300000            1.0000000        
P   1
  1     11.558200000            1.0000000        
P   1
  1      7.6628700000           1.0000000        
P   1
  1      5.1520000000           1.0000000        
P   1
  1      3.2193000000           1.0000000        
P   1
  1      2.5304300000           1.0000000        
P   1
  1      1.0964700000           1.0000000        
P   1
  1      0.57691900000          1.0000000        
P   1
  1      0.31573400000          1.0000000        
P   1
  1      0.18511000000          1.0000000        
P   1
  1      0.98209900000E-01            1.0000000        
P   1
  1      0.49401900000E-01            1.0000000        
D   1
  1     19.636800000            1.0000000        
D   1
  1     12.552100000            1.0000000        
D   1
  1      7.4389000000           1.0000000        
D   1
  1      4.8480100000           1.0000000        
D   1
  1      2.8958000000           1.0000000        
D   1
  1      1.9146500000           1.0000000        
D   1
  1      1.0062600000           1.0000000        
D   1
  1      0.47066200000          1.0000000        
D   1
  1      0.27934700000          1.0000000        
D   1
  1      0.15500800000          1.0000000        
D   1
  1      0.83628600000E-01            1.0000000        
F   1
  1     14.148100000            1.0000000        
F   1
  1      8.1943800000           1.0000000        
F   1
  1      6.0180300000           1.0000000        
F   1
  1      4.0347500000           1.0000000        
F   1
  1      2.1862700000           1.0000000        
F   1
  1      1.3613100000           1.0000000        
F   1
  1      0.83706300000          1.0000000        
F   1
  1      0.33910900000          1.0000000        
F   1
  1      0.13924400000          1.0000000        
G   1
  1     15.218400000            1.0000000        
G   1
  1      6.8106900000           1.0000000        
G   1
  1      5.4092200000           1.0000000        
G   1
  1      2.9577000000           1.0000000        
G   1
  1      1.5916200000           1.0000000        
G   1
  1      0.91949000000          1.0000000        
G   1
  1      0.43286300000          1.0000000        
H   1
  1      7.6099000000           1.0000000        
H   1
  1      5.7280300000           1.0000000        
H   1
  1      3.0953200000           1.0000000        
H   1
  1      1.4810800000           1.0000000        
I   1
  1      9.2082900000           1.0000000        
I   1
  1      5.5836800000           1.0000000        
I   1
  1      2.7416300000           1.0000000        


name: cc-pwCVTZ-RI
elt: Au
data:
GOLD
S   1
  1     14.939800000            1.0000000        
S   1
  1      8.8115000000           1.0000000        
S   1
  1      5.7885400000           1.0000000        
S   1
  1      3.8204300000           1.0000000        
S   1
  1      2.2939900000           1.0000000        
S   1
  1      1.5616100000           1.0000000        
S   1
  1      0.82449100000          1.0000000        
S   1
  1      0.39018500000          1.0000000        
S   1
  1      0.17863900000          1.0000000        
S   1
  1      0.89119600000E-01            1.0000000        
S   1
  1      0.41244500000E-01            1.0000000        
S   1
  1      0.24628000000E-01            1.0000000        
P   1
  1     15.223400000            1.0000000        
P   1
  1      9.1603400000           1.0000000        
P   1
  1      6.1763200000           1.0000000        
P   1
  1      4.2103900000           1.0000000        
P   1
  1      2.6481600000           1.0000000        
P   1
  1      1.7930800000           1.0000000        
P   1
  1      0.86580400000          1.0000000        
P   1
  1      0.43412300000          1.0000000        
P   1
  1      0.22067000000          1.0000000        
P   1
  1      0.12757300000          1.0000000        
P   1
  1      0.67176200000E-01            1.0000000        
P   1
  1      0.33482400000E-01            1.0000000        
D   1
  1     13.128500000            1.0000000        
D   1
  1      8.6635000000           1.0000000        
D   1
  1      5.4729200000           1.0000000        
D   1
  1      3.5527500000           1.0000000        
D   1
  1      2.4103100000           1.0000000        
D   1
  1      1.3490200000           1.0000000        
D   1
  1      0.68324000000          1.0000000        
D   1
  1      0.31953000000          1.0000000        
D   1
  1      0.18944700000          1.0000000        
D   1
  1      0.10459100000          1.0000000        
D   1
  1      0.56597500000E-01            1.0000000        
F   1
  1     11.768000000            1.0000000        
F   1
  1      5.8260700000           1.0000000        
F   1
  1      4.4418300000           1.0000000        
F   1
  1      2.8755500000           1.0000000        
F   1
  1      1.8342600000           1.0000000        
F   1
  1      0.95121000000          1.0000000        
F   1
  1      0.55808300000          1.0000000        
F   1
  1      0.22414800000          1.0000000        
F   1
  1      0.92634700000E-01            1.0000000        
G   1
  1     10.007800000            1.0000000        
G   1
  1      5.7735300000           1.0000000        
G   1
  1      3.8808400000           1.0000000        
G   1
  1      2.2094500000           1.0000000        
G   1
  1      1.0208000000           1.0000000        
G   1
  1      0.57370300000          1.0000000        
G   1
  1      0.26293700000          1.0000000        
H   1
  1      6.7762800000           1.0000000        
H   1
  1      3.8117700000           1.0000000        
H   1
  1      1.9833100000           1.0000000        
H   1
  1      0.90207500000          1.0000000        
I   1
  1      6.6707300000           1.0000000        
I   1
  1      3.8771300000           1.0000000        
I   1
  1      1.8643600000           1.0000000        


name: cc-pwCVTZ-RI
elt: Hg
data:
MERCURY
S   1
  1     17.675800000            1.0000000        
S   1
  1     10.034900000            1.0000000        
S   1
  1      6.4582200000           1.0000000        
S   1
  1      4.2915800000           1.0000000        
S   1
  1      2.5151300000           1.0000000        
S   1
  1      1.7333600000           1.0000000        
S   1
  1      0.95782600000          1.0000000        
S   1
  1      0.43854500000          1.0000000        
S   1
  1      0.21876600000          1.0000000        
S   1
  1      0.11138000000          1.0000000        
S   1
  1      0.49765200000E-01            1.0000000        
S   1
  1      0.29387300000E-01            1.0000000        
P   1
  1     18.831900000            1.0000000        
P   1
  1     10.973000000            1.0000000        
P   1
  1      7.1727600000           1.0000000        
P   1
  1      4.8098100000           1.0000000        
P   1
  1      3.0470500000           1.0000000        
P   1
  1      2.0849900000           1.0000000        
P   1
  1      1.0807200000           1.0000000        
P   1
  1      0.55398900000          1.0000000        
P   1
  1      0.25563900000          1.0000000        
P   1
  1      0.14935100000          1.0000000        
P   1
  1      0.78938600000E-01            1.0000000        
P   1
  1      0.39616600000E-01            1.0000000        
D   1
  1     18.302200000            1.0000000        
D   1
  1     11.181900000            1.0000000        
D   1
  1      6.2263800000           1.0000000        
D   1
  1      3.9457600000           1.0000000        
D   1
  1      2.5755800000           1.0000000        
D   1
  1      1.6539500000           1.0000000        
D   1
  1      0.81112800000          1.0000000        
D   1
  1      0.38351900000          1.0000000        
D   1
  1      0.22518200000          1.0000000        
D   1
  1      0.12418400000          1.0000000        
D   1
  1      0.66959200000E-01            1.0000000        
F   1
  1     13.086300000            1.0000000        
F   1
  1      7.2967600000           1.0000000        
F   1
  1      5.3256600000           1.0000000        
F   1
  1      3.6097700000           1.0000000        
F   1
  1      2.1918100000           1.0000000        
F   1
  1      1.1263000000           1.0000000        
F   1
  1      0.67863100000          1.0000000        
F   1
  1      0.28052700000          1.0000000        
F   1
  1      0.11275000000          1.0000000        
G   1
  1     11.238100000            1.0000000        
G   1
  1      6.3222200000           1.0000000        
G   1
  1      4.2072500000           1.0000000        
G   1
  1      2.2888200000           1.0000000        
G   1
  1      1.3380900000           1.0000000        
G   1
  1      0.68519700000          1.0000000        
G   1
  1      0.32744300000          1.0000000        
H   1
  1      7.5953400000           1.0000000        
H   1
  1      4.2513900000           1.0000000        
H   1
  1      2.1645400000           1.0000000        
H   1
  1      1.0228300000           1.0000000        
I   1
  1      7.6968600000           1.0000000        
I   1
  1      4.2840600000           1.0000000        
I   1
  1      2.1236200000           1.0000000        


name: cc-pwCVTZ-RI tight
description: N/A
elt: B
data:
BORON
S   1
  1    308.3790000              1.0000000        
S   1
  1     41.3204000              1.0000000        
S   1
  1     14.1735000              1.0000000        
S   1
  1      3.1614700              1.0000000        
P   1
  1     41.3671000              1.0000000        
P   1
  1     10.4871000              1.0000000        
P   1
  1      2.1099000              1.0000000        
D   1
  1     16.7245000              1.0000000        
D   1
  1      3.5381400              1.0000000        
F   1
  1      3.6431500              1.0000000        


name: cc-pwCVTZ-RI tight
description: N/A
elt: C
data:
CARBON
S   1
  1    508.6800000              1.0000000        
S   1
  1    129.9920000              1.0000000        
S   1
  1     39.0277000              1.0000000        
S   1
  1      2.9172900              1.0000000        
P   1
  1     60.8644000              1.0000000        
P   1
  1     15.2456000              1.0000000        
P   1
  1      3.0495700              1.0000000        
D   1
  1     24.4061000              1.0000000        
D   1
  1      5.7381500              1.0000000        
F   1
  1      6.4901300              1.0000000        


name: cc-pwCVTZ-RI tight
description: N/A
elt: N
data:
NITROGEN
S   1
  1    592.5900000              1.0000000        
S   1
  1    130.9320000              1.0000000        
S   1
  1     34.5954000              1.0000000        
S   1
  1      3.8528200              1.0000000        
P   1
  1     85.5760000              1.0000000        
P   1
  1     20.1106000              1.0000000        
P   1
  1      4.3152600              1.0000000        
D   1
  1     33.8157000              1.0000000        
D   1
  1      7.8843400              1.0000000        
F   1
  1      9.5540700              1.0000000        


name: cc-pwCVTZ-RI tight
description: N/A
elt: O
data:
OXYGEN
S   1
  1    666.4030000              1.0000000        
S   1
  1    171.9830000              1.0000000        
S   1
  1     41.6001000              1.0000000        
S   1
  1      5.1791800              1.0000000        
P   1
  1    133.2370000              1.0000000        
P   1
  1     26.1479000              1.0000000        
P   1
  1      6.6342400              1.0000000        
D   1
  1     40.8836000              1.0000000        
D   1
  1     10.5342000              1.0000000        
F   1
  1     13.3713000              1.0000000        


name: cc-pwCVTZ-RI tight
description: N/A
elt: F
data:
FLUORINE
S   1
  1    910.0440000              1.0000000        
S   1
  1    200.7020000              1.0000000        
S   1
  1     53.9590000              1.0000000        
S   1
  1      6.6052500              1.0000000        
P   1
  1    126.9180000              1.0000000        
P   1
  1     28.8828000              1.0000000        
P   1
  1      8.1780100              1.0000000        
D   1
  1     52.1748000              1.0000000        
D   1
  1     15.3585000              1.0000000        
F   1
  1     17.9929000              1.0000000        


name: cc-pwCVTZ-RI tight
description: N/A
elt: Ne
data:
NEON
S   1
  1   1431.3600000              1.0000000        
S   1
  1    301.9480000              1.0000000        
S   1
  1     71.1568000              1.0000000        
S   1
  1      8.4796100              1.0000000        
P   1
  1    200.5890000              1.0000000        
P   1
  1     40.2010000              1.0000000        
P   1
  1     12.0357000              1.0000000        
D   1
  1     62.5225000              1.0000000        
D   1
  1     13.4802000              1.0000000        
F   1
  1     22.9212000              1.0000000        


name: cc-pwCVTZ-RI tight
description: N/A
elt: Al
data:
ALUMINUM
S   1
  1    702.3370000              1.0000000        
S   1
  1    155.5790000              1.0000000        
S   1
  1     75.0619000              1.0000000        
S   1
  1     25.6620000              1.0000000        
P   1
  1    134.6900000              1.0000000        
P   1
  1     40.1557000              1.0000000        
P   1
  1     19.9213000              1.0000000        
P   1
  1      3.3363400              1.0000000        
D   1
  1     76.5170000              1.0000000        
D   1
  1     20.3074000              1.0000000        
D   1
  1      6.4307300              1.0000000        
F   1
  1     11.9177000              1.0000000        
F   1
  1      1.3411800              1.0000000        
G   1
  1      3.7216800              1.0000000        


name: cc-pwCVTZ-RI tight
description: N/A
elt: Si
data:
SILICON
S   1
  1    599.8490000              1.0000000        
S   1
  1    149.5510000              1.0000000        
S   1
  1     49.5116000              1.0000000        
S   1
  1     19.6692000              1.0000000        
P   1
  1    250.0670000              1.0000000        
P   1
  1     47.9889000              1.0000000        
P   1
  1     21.9856000              1.0000000        
P   1
  1      6.1136300              1.0000000        
D   1
  1     80.3511000              1.0000000        
D   1
  1     18.0005000              1.0000000        
D   1
  1      2.9883700              1.0000000        
F   1
  1     15.9060000              1.0000000        
F   1
  1      2.1479600              1.0000000        
G   1
  1      4.7490800              1.0000000        


name: cc-pwCVTZ-RI tight
description: N/A
elt: P
data:
PHOSPHOROUS
S   1
  1    677.6140000              1.0000000        
S   1
  1    150.5870000              1.0000000        
S   1
  1     64.4339000              1.0000000        
S   1
  1     22.5568000              1.0000000        
P   1
  1    249.5810000              1.0000000        
P   1
  1     61.3622000              1.0000000        
P   1
  1     25.7646000              1.0000000        
P   1
  1      7.1204300              1.0000000        
D   1
  1     94.8478000              1.0000000        
D   1
  1     19.7120000              1.0000000        
D   1
  1      3.9312400              1.0000000        
F   1
  1     20.1170000              1.0000000        
F   1
  1      5.6391900              1.0000000        
G   1
  1      5.9980700              1.0000000        


name: cc-pwCVTZ-RI tight
description: N/A
elt: S
data:
SULFUR
S   1
  1    657.0040000              1.0000000        
S   1
  1    188.7270000              1.0000000        
S   1
  1     60.9220000              1.0000000        
S   1
  1     25.3326000              1.0000000        
P   1
  1    247.7450000              1.0000000        
P   1
  1     54.5658000              1.0000000        
P   1
  1     25.8472000              1.0000000        
P   1
  1      8.0924900              1.0000000        
D   1
  1    103.6620000              1.0000000        
D   1
  1     25.5738000              1.0000000        
D   1
  1      4.3699300              1.0000000        
F   1
  1     23.1035000              1.0000000        
F   1
  1      2.9978300              1.0000000        
G   1
  1      7.1651800              1.0000000        


name: cc-pwCVTZ-RI tight
description: N/A
elt: Cl
data:
CHLORINE
S   1
  1    880.0760000              1.0000000        
S   1
  1    206.8750000              1.0000000        
S   1
  1     78.4715000              1.0000000        
S   1
  1     28.2263000              1.0000000        
P   1
  1    282.5760000              1.0000000        
P   1
  1     60.7191000              1.0000000        
P   1
  1     31.3588000              1.0000000        
P   1
  1      9.1455500              1.0000000        
D   1
  1    122.4660000              1.0000000        
D   1
  1     19.7301000              1.0000000        
D   1
  1      8.9400200              1.0000000        
F   1
  1     28.5454000              1.0000000        
F   1
  1      8.2515200              1.0000000        
G   1
  1      8.6120400              1.0000000        


name: cc-pwCVTZ-RI tight
description: N/A
elt: Ar
data:
ARGON
S   1
  1    807.7880000              1.0000000        
S   1
  1    254.2260000              1.0000000        
S   1
  1     65.3679000              1.0000000        
S   1
  1     27.7121000              1.0000000        
P   1
  1    300.6780000              1.0000000        
P   1
  1     91.5980000              1.0000000        
P   1
  1     37.0423000              1.0000000        
P   1
  1     11.0188000              1.0000000        
D   1
  1    153.2910000              1.0000000        
D   1
  1     20.7698000              1.0000000        
D   1
  1      4.8294500              1.0000000        
F   1
  1     32.8550000              1.0000000        
F   1
  1      9.6923300              1.0000000        
G   1
  1     10.0342000              1.0000000        


name: ccJ-pV5Z
description: augmented quintuple zeta Dunning basis sets optimized for spin-spin coupling constants
elt: H
data:
HYDROGEN
S   2
  1 106128.0000000              0.0251887        
  2   4422.0000000              0.9748113        
S   2
  1    402.0000000              0.1086860        
  2     60.2400000              0.8913140        
S   1
  1     13.7300000              1.0000000        
S   1
  1      3.9050000              1.0000000        
S   1
  1      1.2830000              1.0000000        
S   1
  1      0.4655000              1.0000000        
S   1
  1      0.1811000              1.0000000        
S   1
  1      0.0727900              1.0000000        
P   1
  1     45.1600000              1.0000000        
P   1
  1      4.5160000              1.0000000        
P   1
  1      1.7120000              1.0000000        
P   1
  1      0.6490000              1.0000000        
P   1
  1      0.2460000              1.0000000        
D   1
  1      5.9000000              1.0000000        
D   1
  1      2.9500000              1.0000000        
D   1
  1      1.2060000              1.0000000        
D   1
  1      0.4930000              1.0000000        
F   1
  1      2.5060000              1.0000000        
F   1
  1      0.8750000              1.0000000        
G   1
  1      2.3580000              1.0000000        


name: ccJ-pV5Z
description: augmented quintuple zeta Dunning basis sets optimized for spin-spin coupling constants
elt: He
data:
HELIUM
S   2
  1 302280.0000000              0.0251774        
  2  12595.0000000              0.9748226        
S   2
  1   1145.0000000              0.1089687        
  2    171.7000000              0.8910313        
S   1
  1     39.0700000              1.0000000        
S   1
  1     11.0400000              1.0000000        
S   1
  1      3.5660000              1.0000000        
S   1
  1      1.2400000              1.0000000        
S   1
  1      0.4473000              1.0000000        
S   1
  1      0.1640000              1.0000000        
P   1
  1    101.5300000              1.0000000        
P   1
  1     10.1530000              1.0000000        
P   1
  1      3.6270000              1.0000000        
P   1
  1      1.2960000              1.0000000        
P   1
  1      0.4630000              1.0000000        
D   1
  1     15.3320000              1.0000000        
D   1
  1      7.6660000              1.0000000        
D   1
  1      2.6470000              1.0000000        
D   1
  1      0.9140000              1.0000000        
F   1
  1      5.4110000              1.0000000        
F   1
  1      1.7070000              1.0000000        
G   1
  1      3.4300000              1.0000000        


name: ccJ-pV5Z
description: augmented quintuple zeta Dunning basis sets optimized for spin-spin coupling constants
elt: B
data:
BORON
S   3
  1 19522360.0000000            0.0014057        
  2 750860.0000000              0.0581647        
  3  68260.0000000              0.9404296        
S   3
  1  10230.0000000              0.0356670        
  2   2328.0000000              0.1858623        
  3    660.4000000              0.7784707        
S   2
  1    216.2000000              0.2469461        
  2     78.6000000              0.7530539        
S   1
  1     30.9800000              1.0000000        
S   1
  1     12.9600000              1.0000000        
S   1
  1      5.6590000              1.0000000        
S   1
  1      2.5560000              1.0000000        
S   1
  1      1.1750000              1.0000000        
S   1
  1      0.4249000              1.0000000        
S   1
  1      0.1712000              1.0000000        
S   1
  1      0.0691300              1.0000000        
P   3
  1    398.6400000              0.0062320        
  2     66.4400000              0.0994150        
  3     15.7100000              0.8943530        
P   1
  1      4.9360000              1.0000000        
P   1
  1      1.7700000              1.0000000        
P   1
  1      0.7008000              1.0000000        
P   1
  1      0.2901000              1.0000000        
P   1
  1      0.1211000              1.0000000        
P   1
  1      0.0497300              1.0000000        
D   1
  1      8.0400000              1.0000000        
D   1
  1      2.0100000              1.0000000        
D   1
  1      0.7960000              1.0000000        
D   1
  1      0.3160000              1.0000000        
D   1
  1      0.1250000              1.0000000        
F   1
  1      1.2150000              1.0000000        
F   1
  1      0.5250000              1.0000000        
F   1
  1      0.2270000              1.0000000        
G   1
  1      1.1240000              1.0000000        
G   1
  1      0.4610000              1.0000000        
H   1
  1      0.8340000              1.0000000        


name: ccJ-pV5Z
description: augmented quintuple zeta Dunning basis sets optimized for spin-spin coupling constants
elt: C
data:
CARBON
S   3
  1 27676220.0000000            0.0014055        
  2 1064470.0000000             0.0581491        
  3  96770.0000000              0.9404453        
S   3
  1  14500.0000000              0.0356434        
  2   3300.0000000              0.1857402        
  3    935.8000000              0.7786164        
S   2
  1    306.2000000              0.2469629        
  2    111.3000000              0.7530371        
S   1
  1     43.9000000              1.0000000        
S   1
  1     18.4000000              1.0000000        
S   1
  1      8.0540000              1.0000000        
S   1
  1      3.6370000              1.0000000        
S   1
  1      1.6560000              1.0000000        
S   1
  1      0.6333000              1.0000000        
S   1
  1      0.2545000              1.0000000        
S   1
  1      0.1019000              1.0000000        
P   3
  1    610.8000000              0.0059086        
  2    101.8000000              0.1048948        
  3     24.0400000              0.8891966        
P   1
  1      7.5710000              1.0000000        
P   1
  1      2.7320000              1.0000000        
P   1
  1      1.0850000              1.0000000        
P   1
  1      0.4496000              1.0000000        
P   1
  1      0.1876000              1.0000000        
P   1
  1      0.0760600              1.0000000        
D   1
  1     12.5360000              1.0000000        
D   1
  1      3.1340000              1.0000000        
D   1
  1      1.2330000              1.0000000        
D   1
  1      0.4850000              1.0000000        
D   1
  1      0.1910000              1.0000000        
F   1
  1      2.0060000              1.0000000        
F   1
  1      0.8380000              1.0000000        
F   1
  1      0.3500000              1.0000000        
G   1
  1      1.7530000              1.0000000        
G   1
  1      0.6780000              1.0000000        
H   1
  1      1.2590000              1.0000000        


name: ccJ-pV5Z
description: augmented quintuple zeta Dunning basis sets optimized for spin-spin coupling constants
elt: N
data:
NITROGEN
S   3
  1 36951200.0000000            0.0014052        
  2 1421200.0000000             0.0581070        
  3 129200.0000000              0.9404878        
S   3
  1  19350.0000000              0.0355997        
  2   4404.0000000              0.1855946        
  3   1248.0000000              0.7788057        
S   2
  1    408.0000000              0.2470537        
  2    148.2000000              0.7529463        
S   1
  1     58.5000000              1.0000000        
S   1
  1     24.5900000              1.0000000        
S   1
  1     10.8100000              1.0000000        
S   1
  1      4.8820000              1.0000000        
S   1
  1      2.1950000              1.0000000        
S   1
  1      0.8715000              1.0000000        
S   1
  1      0.3504000              1.0000000        
S   1
  1      0.1397000              1.0000000        
P   3
  1    882.0000000              0.0057527        
  2    147.0000000              0.1066984        
  3     34.7600000              0.8875489        
P   1
  1     11.0000000              1.0000000        
P   1
  1      3.9950000              1.0000000        
P   1
  1      1.5870000              1.0000000        
P   1
  1      0.6533000              1.0000000        
P   1
  1      0.2686000              1.0000000        
P   1
  1      0.1067000              1.0000000        
D   1
  1     18.5880000              1.0000000        
D   1
  1      4.6470000              1.0000000        
D   1
  1      1.8130000              1.0000000        
D   1
  1      0.7070000              1.0000000        
D   1
  1      0.2760000              1.0000000        
F   1
  1      2.9420000              1.0000000        
F   1
  1      1.2040000              1.0000000        
F   1
  1      0.4930000              1.0000000        
G   1
  1      2.5110000              1.0000000        
G   1
  1      0.9420000              1.0000000        
H   1
  1      1.7680000              1.0000000        


name: ccJ-pV5Z
description: augmented quintuple zeta Dunning basis sets optimized for spin-spin coupling constants
elt: O
data:
OXYGEN
S   3
  1 46961200.0000000            0.0014053        
  2 1806200.0000000             0.0581215        
  3 164200.0000000              0.9404732        
S   3
  1  24590.0000000              0.0354667        
  2   5592.0000000              0.1851488        
  3   1582.0000000              0.7793845        
S   2
  1    516.1000000              0.2470506        
  2    187.2000000              0.7529494        
S   1
  1     73.9300000              1.0000000        
S   1
  1     31.2200000              1.0000000        
S   1
  1     13.8100000              1.0000000        
S   1
  1      6.2560000              1.0000000        
S   1
  1      2.7760000              1.0000000        
S   1
  1      1.1380000              1.0000000        
S   1
  1      0.4600000              1.0000000        
S   1
  1      0.1829000              1.0000000        
P   3
  1   1173.0000000              0.0056715        
  2    195.5000000              0.1054256        
  3     46.1600000              0.8889028        
P   1
  1     14.5800000              1.0000000        
P   1
  1      5.2960000              1.0000000        
P   1
  1      2.0940000              1.0000000        
P   1
  1      0.8471000              1.0000000        
P   1
  1      0.3368000              1.0000000        
P   1
  1      0.1285000              1.0000000        
D   1
  1     23.5160000              1.0000000        
D   1
  1      5.8790000              1.0000000        
D   1
  1      2.3070000              1.0000000        
D   1
  1      0.9050000              1.0000000        
D   1
  1      0.3550000              1.0000000        
F   1
  1      4.0160000              1.0000000        
F   1
  1      1.5540000              1.0000000        
F   1
  1      0.6010000              1.0000000        
G   1
  1      3.3500000              1.0000000        
G   1
  1      1.1890000              1.0000000        
H   1
  1      2.3190000              1.0000000        


name: ccJ-pV5Z
description: augmented quintuple zeta Dunning basis sets optimized for spin-spin coupling constants
elt: F
data:
FLUORINE
S   3
  1 60460400.0000000            0.0014054        
  2 2325400.0000000             0.0581363        
  3 211400.0000000              0.9404583        
S   3
  1  31660.0000000              0.0355531        
  2   7202.0000000              0.1853631        
  3   2040.0000000              0.7790839        
S   2
  1    666.4000000              0.2467878        
  2    242.0000000              0.7532122        
S   1
  1     95.5300000              1.0000000        
S   1
  1     40.2300000              1.0000000        
S   1
  1     17.7200000              1.0000000        
S   1
  1      8.0050000              1.0000000        
S   1
  1      3.5380000              1.0000000        
S   1
  1      1.4580000              1.0000000        
S   1
  1      0.5887000              1.0000000        
S   1
  1      0.2324000              1.0000000        
P   3
  1   1451.4000000              0.0056735        
  2    241.9000000              0.1054830        
  3     57.1700000              0.8888435        
P   1
  1     18.1300000              1.0000000        
P   1
  1      6.6240000              1.0000000        
P   1
  1      2.6220000              1.0000000        
P   1
  1      1.0570000              1.0000000        
P   1
  1      0.4176000              1.0000000        
P   1
  1      0.1574000              1.0000000        
D   1
  1     31.0400000              1.0000000        
D   1
  1      7.7600000              1.0000000        
D   1
  1      3.0320000              1.0000000        
D   1
  1      1.1850000              1.0000000        
D   1
  1      0.4630000              1.0000000        
F   1
  1      5.3980000              1.0000000        
F   1
  1      2.0780000              1.0000000        
F   1
  1      0.8000000              1.0000000        
G   1
  1      4.3380000              1.0000000        
G   1
  1      1.5130000              1.0000000        
H   1
  1      2.9950000              1.0000000        


name: ccJ-pV5Z
description: augmented quintuple zeta Dunning basis sets optimized for spin-spin coupling constants
elt: Ne
data:
NEON
S   3
  1 75132200.0000000            0.0014053        
  2 2889700.0000000             0.0581216        
  3 262700.0000000              0.9404731        
S   3
  1  39350.0000000              0.0356024        
  2   8955.0000000              0.1856172        
  3   2538.0000000              0.7787804        
S   2
  1    829.9000000              0.2467751        
  2    301.5000000              0.7532249        
S   1
  1    119.0000000              1.0000000        
S   1
  1     50.0000000              1.0000000        
S   1
  1     21.9800000              1.0000000        
S   1
  1      9.8910000              1.0000000        
S   1
  1      4.3270000              1.0000000        
S   1
  1      1.8040000              1.0000000        
S   1
  1      0.7288000              1.0000000        
S   1
  1      0.2867000              1.0000000        
P   3
  1   1794.6000000              0.0056556        
  2    299.1000000              0.1051674        
  3     70.7300000              0.8891770        
P   1
  1     22.4800000              1.0000000        
P   1
  1      8.2460000              1.0000000        
P   1
  1      3.2690000              1.0000000        
P   1
  1      1.3150000              1.0000000        
P   1
  1      0.5158000              1.0000000        
P   1
  1      0.1918000              1.0000000        
D   1
  1     39.3480000              1.0000000        
D   1
  1      9.8370000              1.0000000        
D   1
  1      3.8440000              1.0000000        
D   1
  1      1.5020000              1.0000000        
D   1
  1      0.5870000              1.0000000        
F   1
  1      7.0900000              1.0000000        
F   1
  1      2.7380000              1.0000000        
F   1
  1      1.0570000              1.0000000        
G   1
  1      5.4600000              1.0000000        
G   1
  1      1.8800000              1.0000000        
H   1
  1      3.7760000              1.0000000        


name: ccJ-pVDZ
description: augmented double zeta Dunning basis sets optimized for spin-spin coupling constants
elt: H
data:
HYDROGEN
S   2
  1   3434.6400000              0.0250607        
  2    143.1100000              0.9749393        
S   2
  1     13.0100000              0.1193634        
  2      1.9620000              0.8806366        
S   1
  1      0.4446000              1.0000000        
S   1
  1      0.1220000              1.0000000        
P   1
  1      7.2700000              1.0000000        
P   1
  1      0.7270000              1.0000000        


name: ccJ-pVDZ
description: augmented double zeta Dunning basis sets optimized for spin-spin coupling constants
elt: He
data:
HELIUM
S   2
  1  10127.0400000              0.0250452        
  2    421.9600000              0.9749548        
S   2
  1     38.3600000              0.1275443        
  2      5.7700000              0.8724557        
S   1
  1      1.2400000              1.0000000        
S   1
  1      0.2976000              1.0000000        
P   1
  1     12.7500000              1.0000000        
P   1
  1      1.2750000              1.0000000        


name: ccJ-pVDZ
description: augmented double zeta Dunning basis sets optimized for spin-spin coupling constants
elt: B
data:
BORON
S   3
  1 1307020.0000000             0.0014071        
  2  50270.0000000              0.0582512        
  3   4570.0000000              0.9403417        
S   3
  1    685.9000000              0.0402247        
  2    156.5000000              0.2023862        
  3     44.4700000              0.7573890        
S   2
  1     14.4800000              0.3775699        
  2      5.1310000              0.6224301        
S   1
  1      1.8980000              1.0000000        
S   1
  1      0.3329000              1.0000000        
S   1
  1      0.1043000              1.0000000        
P   3
  1     36.0060000              0.0114809        
  2      6.0010000              0.1380892        
  3      1.2410000              0.8504299        
P   1
  1      0.3364000              1.0000000        
P   1
  1      0.0953800              1.0000000        
D   1
  1      1.3720000              1.0000000        
D   1
  1      0.3430000              1.0000000        


name: ccJ-pVDZ
description: augmented double zeta Dunning basis sets optimized for spin-spin coupling constants
elt: C
data:
CARBON
S   3
  1 1906190.0000000             0.0014070        
  2  73315.0000000              0.0582387        
  3   6665.0000000              0.9403543        
S   3
  1   1000.0000000              0.0399666        
  2    228.0000000              0.2015755        
  3     64.7100000              0.7584579        
S   2
  1     21.0600000              0.3797990        
  2      7.4950000              0.6202010        
S   1
  1      2.7970000              1.0000000        
S   1
  1      0.5215000              1.0000000        
S   1
  1      0.1596000              1.0000000        
P   3
  1     56.6340000              0.0110482        
  2      9.4390000              0.1444793        
  3      2.0020000              0.8444725        
P   1
  1      0.5456000              1.0000000        
P   1
  1      0.1517000              1.0000000        
D   1
  1      2.2000000              1.0000000        
D   1
  1      0.5500000              1.0000000        


name: ccJ-pVDZ
description: augmented double zeta Dunning basis sets optimized for spin-spin coupling constants
elt: N
data:
NITROGEN
S   3
  1 2587156.0000000             0.0014069        
  2  99506.0000000              0.0582342        
  3   9046.0000000              0.9403589        
S   3
  1   1357.0000000              0.0398601        
  2    309.3000000              0.2012109        
  3     87.7300000              0.7589289        
S   2
  1     28.5600000              0.3832086        
  2     10.2100000              0.6167913        
S   1
  1      3.8380000              1.0000000        
S   1
  1      0.7466000              1.0000000        
S   1
  1      0.2248000              1.0000000        
P   3
  1     81.3000000              0.0107750        
  2     13.5500000              0.1478687        
  3      2.9170000              0.8413563        
P   1
  1      0.7973000              1.0000000        
P   1
  1      0.2185000              1.0000000        
D   1
  1      3.2680000              1.0000000        
D   1
  1      0.8170000              1.0000000        


name: ccJ-pVDZ
description: augmented double zeta Dunning basis sets optimized for spin-spin coupling constants
elt: O
data:
OXYGEN
S   3
  1 3351920.0000000             0.0014072        
  2 128920.0000000              0.0582671        
  3  11720.0000000              0.9403257        
S   3
  1   1759.0000000              0.0398440        
  2    400.8000000              0.2012606        
  3    113.7000000              0.7588954        
S   2
  1     37.0300000              0.3867732        
  2     13.2700000              0.6132268        
S   1
  1      5.0250000              1.0000000        
S   1
  1      1.0130000              1.0000000        
S   1
  1      0.3023000              1.0000000        
P   3
  1    106.2000000              0.0108504        
  2     17.7000000              0.1506863        
  3      3.8540000              0.8384633        
P   1
  1      1.0460000              1.0000000        
P   1
  1      0.2753000              1.0000000        
D   1
  1      4.7400000              1.0000000        
D   1
  1      1.1850000              1.0000000        


name: ccJ-pVDZ
description: augmented double zeta Dunning basis sets optimized for spin-spin coupling constants
elt: F
data:
FLUORINE
S   3
  1 4207060.0000000             0.0014070        
  2 161810.0000000              0.0582475        
  3  14710.0000000              0.9403455        
S   3
  1   2207.0000000              0.0398251        
  2    502.8000000              0.2012282        
  3    142.6000000              0.7589468        
S   2
  1     46.4700000              0.3899414        
  2     16.7000000              0.6100586        
S   1
  1      6.3560000              1.0000000        
S   1
  1      1.3160000              1.0000000        
S   1
  1      0.3897000              1.0000000        
P   3
  1    136.0200000              0.0108528        
  2     22.6700000              0.1524521        
  3      4.9770000              0.8366950        
P   1
  1      1.3470000              1.0000000        
P   1
  1      0.3471000              1.0000000        
D   1
  1      6.5600000              1.0000000        
D   1
  1      1.6400000              1.0000000        


name: ccJ-pVDZ
description: augmented double zeta Dunning basis sets optimized for spin-spin coupling constants
elt: Ne
data:
NEON
S   3
  1 5113680.0000000             0.0014070        
  2 196680.0000000              0.0582384        
  3  17880.0000000              0.9403546        
S   3
  1   2683.0000000              0.0399070        
  2    611.5000000              0.2015361        
  3    173.5000000              0.7585569        
S   2
  1     56.6400000              0.3934842        
  2     20.4200000              0.6065158        
S   1
  1      7.8100000              1.0000000        
S   1
  1      1.6530000              1.0000000        
S   1
  1      0.4869000              1.0000000        
P   3
  1    170.3400000              0.0108240        
  2     28.3900000              0.1535571        
  3      6.2700000              0.8356189        
P   1
  1      1.6950000              1.0000000        
P   1
  1      0.4317000              1.0000000        
D   1
  1      8.8080000              1.0000000        
D   1
  1      2.2020000              1.0000000        


name: ccJ-pVQZ
description: augmented quadruple zeta Dunning basis sets optimized for spin-spin coupling constants
elt: H
data:
HYDROGEN
S   2
  1  21816.9600000              0.0251443        
  2    909.0400000              0.9748557        
S   2
  1     82.6400000              0.1101011        
  2     12.4100000              0.8898989        
S   1
  1      2.8240000              1.0000000        
S   1
  1      0.7977000              1.0000000        
S   1
  1      0.2581000              1.0000000        
S   1
  1      0.0898900              1.0000000        
P   1
  1     22.9200000              1.0000000        
P   1
  1      2.2920000              1.0000000        
P   1
  1      0.8380000              1.0000000        
P   1
  1      0.2920000              1.0000000        
D   1
  1      4.1240000              1.0000000        
D   1
  1      2.0620000              1.0000000        
D   1
  1      0.6620000              1.0000000        
F   1
  1      1.3970000              1.0000000        


name: ccJ-pVQZ
description: augmented quadruple zeta Dunning basis sets optimized for spin-spin coupling constants
elt: He
data:
HELIUM
S   2
  1 139524.0000000              0.0251593        
  2   5813.5000000              0.9748407        
S   2
  1    528.5000000              0.1096829        
  2     79.3100000              0.8903171        
S   1
  1     18.0500000              1.0000000        
S   1
  1      5.0850000              1.0000000        
S   1
  1      1.6090000              1.0000000        
S   1
  1      0.5363000              1.0000000        
S   1
  1      0.1833000              1.0000000        
P   1
  1     59.9400000              1.0000000        
P   1
  1      5.9940000              1.0000000        
P   1
  1      1.7450000              1.0000000        
P   1
  1      0.5600000              1.0000000        
D   1
  1      8.5980000              1.0000000        
D   1
  1      4.2990000              1.0000000        
D   1
  1      1.2230000              1.0000000        
F   1
  1      2.6800000              1.0000000        


name: ccJ-pVQZ
description: augmented quadruple zeta Dunning basis sets optimized for spin-spin coupling constants
elt: B
data:
BORON
S   3
  1 6826820.0000000             0.0014054        
  2 262570.0000000              0.0581351        
  3  23870.0000000              0.9404594        
S   3
  1   3575.0000000              0.0359141        
  2    812.8000000              0.1868680        
  3    229.7000000              0.7772179        
S   2
  1     74.6900000              0.2640937        
  2     26.8100000              0.7359063        
S   1
  1     10.3200000              1.0000000        
S   1
  1      4.1780000              1.0000000        
S   1
  1      1.7270000              1.0000000        
S   1
  1      0.4704000              1.0000000        
S   1
  1      0.1896000              1.0000000        
S   1
  1      0.0739400              1.0000000        
P   3
  1    133.5600000              0.0077725        
  2     22.2600000              0.1186263        
  3      5.0580000              0.8736012        
P   1
  1      1.4870000              1.0000000        
P   1
  1      0.5071000              1.0000000        
P   1
  1      0.1812000              1.0000000        
P   1
  1      0.0646300              1.0000000        
D   1
  1      4.4400000              1.0000000        
D   1
  1      1.1100000              1.0000000        
D   1
  1      0.4020000              1.0000000        
D   1
  1      0.1450000              1.0000000        
F   1
  1      0.8820000              1.0000000        
F   1
  1      0.3110000              1.0000000        
G   1
  1      0.6730000              1.0000000        


name: ccJ-pVQZ
description: augmented quadruple zeta Dunning basis sets optimized for spin-spin coupling constants
elt: C
data:
CARBON
S   3
  1 9718280.0000000             0.0014052        
  2 373780.0000000              0.0581096        
  3  33980.0000000              0.9404851        
S   3
  1   5089.0000000              0.0358315        
  2   1157.0000000              0.1866481        
  3    326.6000000              0.7775204        
S   2
  1    106.1000000              0.2646514        
  2     38.1100000              0.7353486        
S   1
  1     14.7500000              1.0000000        
S   1
  1      6.0350000              1.0000000        
S   1
  1      2.5300000              1.0000000        
S   1
  1      0.7355000              1.0000000        
S   1
  1      0.2905000              1.0000000        
S   1
  1      0.1111000              1.0000000        
P   3
  1    207.0600000              0.0073580        
  2     34.5100000              0.1209553        
  3      7.9150000              0.8716868        
P   1
  1      2.3680000              1.0000000        
P   1
  1      0.8132000              1.0000000        
P   1
  1      0.2890000              1.0000000        
P   1
  1      0.1007000              1.0000000        
D   1
  1      7.3920000              1.0000000        
D   1
  1      1.8480000              1.0000000        
D   1
  1      0.6490000              1.0000000        
D   1
  1      0.2280000              1.0000000        
F   1
  1      1.4190000              1.0000000        
F   1
  1      0.4850000              1.0000000        
G   1
  1      1.0110000              1.0000000        


name: ccJ-pVQZ
description: augmented quadruple zeta Dunning basis sets optimized for spin-spin coupling constants
elt: N
data:
NITROGEN
S   3
  1 13110240.0000000            0.0014055        
  2 504240.0000000              0.0581467        
  3  45840.0000000              0.9404477        
S   3
  1   6868.0000000              0.0360418        
  2   1563.0000000              0.1871788        
  3    442.4000000              0.7767795        
S   2
  1    144.3000000              0.2657884        
  2     52.1800000              0.7342116        
S   1
  1     20.3400000              1.0000000        
S   1
  1      8.3810000              1.0000000        
S   1
  1      3.5290000              1.0000000        
S   1
  1      1.0540000              1.0000000        
S   1
  1      0.4118000              1.0000000        
S   1
  1      0.1552000              1.0000000        
P   3
  1    295.9800000              0.0070892        
  2     49.3300000              0.1212217        
  3     11.3700000              0.8716891        
P   1
  1      3.4350000              1.0000000        
P   1
  1      1.1820000              1.0000000        
P   1
  1      0.4173000              1.0000000        
P   1
  1      0.1428000              1.0000000        
D   1
  1     11.3480000              1.0000000        
D   1
  1      2.8370000              1.0000000        
D   1
  1      0.9680000              1.0000000        
D   1
  1      0.3350000              1.0000000        
F   1
  1      2.0270000              1.0000000        
F   1
  1      0.6850000              1.0000000        
G   1
  1      1.4270000              1.0000000        


name: ccJ-pVQZ
description: augmented quadruple zeta Dunning basis sets optimized for spin-spin coupling constants
elt: O
data:
OXYGEN
S   3
  1 17566120.0000000            0.0014054        
  2 675620.0000000              0.0581337        
  3  61420.0000000              0.9404609        
S   3
  1   9199.0000000              0.0358770        
  2   2091.0000000              0.1868227        
  3    590.9000000              0.7773003        
S   2
  1    192.3000000              0.2642716        
  2     69.3200000              0.7357284        
S   1
  1     26.9700000              1.0000000        
S   1
  1     11.1000000              1.0000000        
S   1
  1      4.6820000              1.0000000        
S   1
  1      1.4280000              1.0000000        
S   1
  1      0.5547000              1.0000000        
S   1
  1      0.2067000              1.0000000        
P   3
  1    380.5200000              0.0070307        
  2     63.4200000              0.1204660        
  3     14.6600000              0.8725033        
P   1
  1      4.4590000              1.0000000        
P   1
  1      1.5310000              1.0000000        
P   1
  1      0.5302000              1.0000000        
P   1
  1      0.1750000              1.0000000        
D   1
  1     15.1000000              1.0000000        
D   1
  1      3.7750000              1.0000000        
D   1
  1      1.3000000              1.0000000        
D   1
  1      0.4440000              1.0000000        
F   1
  1      2.6660000              1.0000000        
F   1
  1      0.8590000              1.0000000        
G   1
  1      1.8460000              1.0000000        


name: ccJ-pVQZ
description: augmented quadruple zeta Dunning basis sets optimized for spin-spin coupling constants
elt: F
data:
FLUORINE
S   3
  1 21315580.0000000            0.0014057        
  2 819830.0000000              0.0581594        
  3  74530.0000000              0.9404350        
S   3
  1  11170.0000000              0.0361781        
  2   2543.0000000              0.1877267        
  3    721.0000000              0.7760952        
S   2
  1    235.9000000              0.2663464        
  2     85.6000000              0.7336536        
S   1
  1     33.5500000              1.0000000        
S   1
  1     13.9300000              1.0000000        
S   1
  1      5.9150000              1.0000000        
S   1
  1      1.8430000              1.0000000        
S   1
  1      0.7124000              1.0000000        
S   1
  1      0.2637000              1.0000000        
P   3
  1    482.3400000              0.0069589        
  2     80.3900000              0.1197278        
  3     18.6300000              0.8733134        
P   1
  1      5.6940000              1.0000000        
P   1
  1      1.9530000              1.0000000        
P   1
  1      0.6702000              1.0000000        
P   1
  1      0.2166000              1.0000000        
D   1
  1     20.0560000              1.0000000        
D   1
  1      5.0140000              1.0000000        
D   1
  1      1.7250000              1.0000000        
D   1
  1      0.5860000              1.0000000        
F   1
  1      3.5620000              1.0000000        
F   1
  1      1.1480000              1.0000000        
G   1
  1      2.3760000              1.0000000        


name: ccJ-pVQZ
description: augmented quadruple zeta Dunning basis sets optimized for spin-spin coupling constants
elt: Ne
data:
NEON
S   3
  1 28577120.0000000            0.0014051        
  2 1099120.0000000             0.0580995        
  3  99920.0000000              0.9404953        
S   3
  1  14960.0000000              0.0357043        
  2   3399.0000000              0.1862929        
  3    958.9000000              0.7780029        
S   2
  1    311.2000000              0.2617079        
  2    111.7000000              0.7382921        
S   1
  1     43.3200000              1.0000000        
S   1
  1     17.8000000              1.0000000        
S   1
  1      7.5030000              1.0000000        
S   1
  1      2.3370000              1.0000000        
S   1
  1      0.9001000              1.0000000        
S   1
  1      0.3301000              1.0000000        
P   3
  1    598.0800000              0.0069008        
  2     99.6800000              0.1191495        
  3     23.1500000              0.8739498        
P   1
  1      7.1080000              1.0000000        
P   1
  1      2.4410000              1.0000000        
P   1
  1      0.8339000              1.0000000        
P   1
  1      0.2662000              1.0000000        
D   1
  1     25.8840000              1.0000000        
D   1
  1      6.4710000              1.0000000        
D   1
  1      2.2130000              1.0000000        
D   1
  1      0.7470000              1.0000000        
F   1
  1      4.6570000              1.0000000        
F   1
  1      1.5240000              1.0000000        
G   1
  1      2.9830000              1.0000000        


name: ccJ-pVTZ
description: augmented triple zeta Dunning basis sets optimized for spin-spin coupling constants
elt: H
data:
HYDROGEN
S   2
  1   8941.6800000              0.0251117        
  2    372.5700000              0.9748883        
S   2
  1     33.8700000              0.1126102        
  2      5.0950000              0.8873898        
S   1
  1      1.1590000              1.0000000        
S   1
  1      0.3258000              1.0000000        
S   1
  1      0.1027000              1.0000000        
P   1
  1     14.0700000              1.0000000        
P   1
  1      1.4070000              1.0000000        
P   1
  1      0.3880000              1.0000000        
D   1
  1      2.1140000              1.0000000        
D   1
  1      1.0570000              1.0000000        


name: ccJ-pVTZ
description: augmented triple zeta Dunning basis sets optimized for spin-spin coupling constants
elt: He
data:
HELIUM
S   2
  1  61776.0000000              0.0251338        
  2   2574.0000000              0.9748662        
S   2
  1    234.0000000              0.1114201        
  2     35.1600000              0.8885799        
S   1
  1      7.9890000              1.0000000        
S   1
  1      2.2120000              1.0000000        
S   1
  1      0.6669000              1.0000000        
S   1
  1      0.2089000              1.0000000        
P   1
  1     30.4400000              1.0000000        
P   1
  1      3.0440000              1.0000000        
P   1
  1      0.7580000              1.0000000        
D   1
  1      3.9300000              1.0000000        
D   1
  1      1.9650000              1.0000000        


name: ccJ-pVTZ
description: augmented triple zeta Dunning basis sets optimized for spin-spin coupling constants
elt: B
data:
BORON
S   3
  1 1565278.0000000             0.0014072        
  2  60203.0000000              0.0582818        
  3   5473.0000000              0.9403110        
S   3
  1    820.9000000              0.0389945        
  2    186.8000000              0.1980132        
  3     52.8300000              0.7629923        
S   2
  1     17.0800000              0.3540957        
  2      5.9990000              0.6459042        
S   1
  1      2.2080000              1.0000000        
S   1
  1      0.5879000              1.0000000        
S   1
  1      0.2415000              1.0000000        
S   1
  1      0.0861000              1.0000000        
P   3
  1     72.3000000              0.0090715        
  2     12.0500000              0.1443726        
  3      2.6130000              0.8465559        
P   1
  1      0.7475000              1.0000000        
P   1
  1      0.2385000              1.0000000        
P   1
  1      0.0769800              1.0000000        
D   1
  1      2.6440000              1.0000000        
D   1
  1      0.6610000              1.0000000        
D   1
  1      0.1990000              1.0000000        
F   1
  1      0.4900000              1.0000000        


name: ccJ-pVTZ
description: augmented triple zeta Dunning basis sets optimized for spin-spin coupling constants
elt: C
data:
CARBON
S   3
  1 2355496.0000000             0.0014070        
  2  90596.0000000              0.0582677        
  3   8236.0000000              0.9403253        
S   3
  1   1235.0000000              0.0385966        
  2    280.8000000              0.1966971        
  3     79.2700000              0.7647062        
S   2
  1     25.5900000              0.3508430        
  2      8.9970000              0.6491569        
S   1
  1      3.3190000              1.0000000        
S   1
  1      0.9059000              1.0000000        
S   1
  1      0.3643000              1.0000000        
S   1
  1      0.1285000              1.0000000        
P   3
  1    112.2600000              0.0086306        
  2     18.7100000              0.1354950        
  3      4.1330000              0.8558744        
P   1
  1      1.2000000              1.0000000        
P   1
  1      0.3827000              1.0000000        
P   1
  1      0.1209000              1.0000000        
D   1
  1      4.3880000              1.0000000        
D   1
  1      1.0970000              1.0000000        
D   1
  1      0.3180000              1.0000000        
F   1
  1      0.7610000              1.0000000        


name: ccJ-pVTZ
description: augmented triple zeta Dunning basis sets optimized for spin-spin coupling constants
elt: N
data:
NITROGEN
S   3
  1 3266120.0000000             0.0014068        
  2 125620.0000000              0.0582480        
  3  11420.0000000              0.9403453        
S   3
  1   1712.0000000              0.0385468        
  2    389.3000000              0.1965394        
  3    110.0000000              0.7649138        
S   2
  1     35.5700000              0.3496198        
  2     12.5400000              0.6503802        
S   1
  1      4.6440000              1.0000000        
S   1
  1      1.2930000              1.0000000        
S   1
  1      0.5118000              1.0000000        
S   1
  1      0.1787000              1.0000000        
P   3
  1    159.7800000              0.0083791        
  2     26.6300000              0.1312638        
  3      5.9480000              0.8603570        
P   1
  1      1.7420000              1.0000000        
P   1
  1      0.5550000              1.0000000        
P   1
  1      0.1725000              1.0000000        
D   1
  1      6.6160000              1.0000000        
D   1
  1      1.6540000              1.0000000        
D   1
  1      0.4690000              1.0000000        
F   1
  1      1.0930000              1.0000000        


name: ccJ-pVTZ
description: augmented triple zeta Dunning basis sets optimized for spin-spin coupling constants
elt: O
data:
OXYGEN
S   3
  1 4384380.0000000             0.0014069        
  2 168630.0000000              0.0582656        
  3  15330.0000000              0.9403275        
S   3
  1   2299.0000000              0.0382400        
  2    522.4000000              0.1955693        
  3    147.3000000              0.7661907        
S   2
  1     47.5500000              0.3474866        
  2     16.7600000              0.6525135        
S   1
  1      6.2070000              1.0000000        
S   1
  1      1.7520000              1.0000000        
S   1
  1      0.6882000              1.0000000        
S   1
  1      0.2384000              1.0000000        
P   3
  1    206.7600000              0.0083210        
  2     34.4600000              0.1313168        
  3      7.7490000              0.8603621        
P   1
  1      2.2800000              1.0000000        
P   1
  1      0.7156000              1.0000000        
P   1
  1      0.2140000              1.0000000        
D   1
  1      9.2560000              1.0000000        
D   1
  1      2.3140000              1.0000000        
D   1
  1      0.6450000              1.0000000        
F   1
  1      1.4280000              1.0000000        


name: ccJ-pVTZ
description: augmented triple zeta Dunning basis sets optimized for spin-spin coupling constants
elt: F
data:
FLUORINE
S   3
  1 5577000.0000000             0.0014066        
  2 214500.0000000              0.0582270        
  3  19500.0000000              0.9403664        
S   3
  1   2923.0000000              0.0382585        
  2    664.5000000              0.1955718        
  3    187.5000000              0.7661697        
S   2
  1     60.6200000              0.3473708        
  2     21.4200000              0.6526292        
S   1
  1      7.9500000              1.0000000        
S   1
  1      2.2570000              1.0000000        
S   1
  1      0.8815000              1.0000000        
S   1
  1      0.3041000              1.0000000        
P   3
  1    263.2800000              0.0082539        
  2     43.8800000              0.1311696        
  3      9.9260000              0.8605765        
P   1
  1      2.9300000              1.0000000        
P   1
  1      0.9132000              1.0000000        
P   1
  1      0.2672000              1.0000000        
D   1
  1     12.4280000              1.0000000        
D   1
  1      3.1070000              1.0000000        
D   1
  1      0.8550000              1.0000000        
F   1
  1      1.9170000              1.0000000        


name: ccJ-pVTZ
description: augmented triple zeta Dunning basis sets optimized for spin-spin coupling constants
elt: Ne
data:
NEON
S   3
  1 6964100.0000000             0.0014066        
  2 267850.0000000              0.0582348        
  3  24350.0000000              0.9403586        
S   3
  1   3650.0000000              0.0381603        
  2    829.6000000              0.1951907        
  3    234.0000000              0.7666490        
S   2
  1     75.6100000              0.3466986        
  2     26.7300000              0.6533014        
S   1
  1      9.9270000              1.0000000        
S   1
  1      2.8360000              1.0000000        
S   1
  1      1.1020000              1.0000000        
S   1
  1      0.3782000              1.0000000        
P   3
  1    328.2000000              0.0081889        
  2     54.7000000              0.1310061        
  3     12.4300000              0.8608050        
P   1
  1      3.6790000              1.0000000        
P   1
  1      1.1430000              1.0000000        
P   1
  1      0.3300000              1.0000000        
D   1
  1     16.0560000              1.0000000        
D   1
  1      4.0140000              1.0000000        
D   1
  1      1.0960000              1.0000000        
F   1
  1      2.5440000              1.0000000        


name: ccemd-2
description: N/A
elt: He
data:
HELIUM
S   5
  1      2.4674073700E+02       2.8577383890E-03 
  2      7.1492755400E+01       9.9727469901E-03 
  3      1.7742783000E+01       6.0641351437E-02 
  4      4.4264599600E+00       2.7079481691E-01 
  5      1.0993977300E+00       7.5668543783E-01 
S   1
  1      2.7519129100E-01       1.0000000        
S   1
  1      7.8460322600E-02       1.0000000        
P   1
  1      3.6823147761E+00       1.0000000        


name: ccemd-2
description: N/A
elt: H
data:
HYDROGEN
S   5
  1      2.4674073700E+02       1.4858671425E-03 
  2      7.1492755400E+01       4.9251200971E-03 
  3      1.7742783000E+01       3.3206158189E-02 
  4      4.4264599600E+00       1.6942742973E-01 
  5      1.0993977300E+00       8.5710013640E-01 
S   1
  1      2.7519129100E-01       1.0000000        
S   1
  1      7.8460322600E-02       1.0000000        
P   1
  1      3.6823147761E+00       1.0000000        


name: ccemd-2
description: N/A
elt: Be
data:
BERYLLIUM
S   9
  1      1.2645539000E+03       1.4510527964E-03 
  2      4.2363620400E+02       3.4443494448E-03 
  3      1.2165459300E+02       2.0219861311E-02 
  4      3.4542144000E+01       8.5286167494E-02 
  5      9.7554310100E+00       3.0032743242E-01 
  6      2.7629854500E+00       5.5528801208E-01 
  7      7.7309743600E-01       2.0862315510E-01 
  8      2.1874940800E-01      -2.4704502931E-02 
  9      6.2530795400E-02       1.2431467970E-02 
S   9
  1      1.2645539000E+03      -2.6615102785E-04 
  2      4.2363620400E+02      -6.5996016850E-04 
  3      1.2165459300E+02      -3.7232503307E-03 
  4      3.4542144000E+01      -1.6679659367E-02 
  5      9.7554310100E+00      -6.0801800264E-02 
  6      2.7629854500E+00      -1.5876614864E-01 
  7      7.7309743600E-01      -1.3876812481E-01 
  8      2.1874940800E-01       4.9663902628E-01 
  9      6.2530795400E-02       6.5815960727E-01 
S   1
  1      2.0720459400E-02       1.0000000        
P   1
  1      1.7946905319E+00       1.0000000        
P   1
  1      4.7727305252E-01       1.0000000        
P   1
  1      1.1685477012E-01       1.0000000        
P   1
  1      3.0728740070E-02       1.0000000        
D   1
  1      1.9321179282E-01       1.0000000        


name: ccemd-2
description: N/A
elt: Li
data:
LITHIUM
S   9
  1      1.2645539000E+03      -1.5282778945E-04 
  2      4.2363620400E+02      -3.6135696993E-04 
  3      1.2165459300E+02      -2.1673075536E-03 
  4      3.4542144000E+01      -9.6147157929E-03 
  5      9.7554310100E+00      -4.0218061954E-02 
  6      2.7629854500E+00      -1.1574293863E-01 
  7      7.7309743600E-01      -2.2874738684E-01 
  8      2.1874940800E-01      -1.3350546166E-02 
  9      6.2530795400E-02       1.0591407729E+00 
S   9
  1      1.2645539000E+03       6.7783571417E-04 
  2      4.2363620400E+02       1.6911286547E-03 
  3      1.2165459300E+02       9.5164046483E-03 
  4      3.4542144000E+01       4.3706058450E-02 
  5      9.7554310100E+00       1.6839332641E-01 
  6      2.7629854500E+00       4.5697197894E-01 
  7      7.7309743600E-01       4.5682766878E-01 
  8      2.1874940800E-01       2.1027254710E-02 
  9      6.2530795400E-02       7.0691330236E-03 
S   1
  1      2.0720459400E-02       1.0000000        
P   1
  1      1.7946905319E+00       1.0000000        
P   1
  1      4.7727305252E-01       1.0000000        
P   1
  1      1.1685477012E-01       1.0000000        
P   1
  1      3.0728740070E-02       1.0000000        
D   1
  1      1.9321179282E-01       1.0000000        


name: ccemd-2
description: N/A
elt: Ne
data:
NEON
S   8
  1      3.1196329800E+03      -1.3608415897E-03 
  2      9.3736279900E+02      -4.1564680676E-03 
  3      2.4644750000E+02      -2.4731951378E-02 
  4      6.3368076600E+01      -1.0549216067E-01 
  5      1.6356715000E+01      -2.7524167615E-01 
  6      4.2102770400E+00       5.2453433318E-02 
  7      1.0818292700E+00       7.7882240948E-01 
  8      2.8121536500E-01       2.8127877766E-01 
S   8
  1      3.1196329800E+03       4.7101720316E-03 
  2      9.3736279900E+02       1.5058342518E-02 
  3      2.4644750000E+02       8.2659545142E-02 
  4      6.3368076600E+01       3.3968038051E-01 
  5      1.6356715000E+01       5.8001056315E-01 
  6      4.2102770400E+00       1.2398154407E-01 
  7      1.0818292700E+00       2.4392574913E-02 
  8      2.8121536500E-01       1.7870202934E-02 
S   1
  1      8.3191121700E-02       1.0000000        
P   2
  1      2.2811374800E+01       1.7685106571E-01 
  2      5.6501498800E+00       8.8882714787E-01 
P   1
  1      1.3079070900E+00       1.0000000        
P   1
  1      3.0104066000E-01       1.0000000        
P   1
  1      7.4547362300E-02       1.0000000        
D   1
  1      8.5288685009E-01       1.0000000        


name: ccemd-2
description: N/A
elt: C
data:
CARBON
S   8
  1      3.1196329800E+03      -2.9993809602E-04 
  2      9.3736279900E+02      -9.3644366938E-04 
  3      2.4644750000E+02      -5.6877942809E-03 
  4      6.3368076600E+01      -2.8368507532E-02 
  5      1.6356715000E+01      -1.1330780943E-01 
  6      4.2102770400E+00      -2.6575759337E-01 
  7      1.0818292700E+00       2.0256067727E-01 
  8      2.8121536500E-01       9.1597379233E-01 
S   8
  1      3.1196329800E+03       1.3679422200E-03 
  2      9.3736279900E+02       4.0198318465E-03 
  3      2.4644750000E+02       2.5720436471E-02 
  4      6.3368076600E+01       1.1741061487E-01 
  5      1.6356715000E+01       4.3155093226E-01 
  6      4.2102770400E+00       5.4270521165E-01 
  7      1.0818292700E+00       3.4084433532E-02 
  8      2.8121536500E-01      -1.3104660788E-02 
S   1
  1      8.3191121700E-02       1.0000000        
P   2
  1      2.2811374800E+01       1.3479940637E-01 
  2      5.6501498800E+00       9.1720437812E-01 
P   1
  1      1.3079070900E+00       1.0000000        
P   1
  1      3.0104066000E-01       1.0000000        
P   1
  1      7.4547362300E-02       1.0000000        
D   1
  1      8.5288685009E-01       1.0000000        


