# all_value

name: cc-pV5Z-DK
description: V5Z4P Douglas-Kroll Valence Quintuple Zeta + Polarization
elt: Co
data:
COBALT
S   27
  1      1.61030E+08            1.005831E-05     
  2      2.87558E+07            2.418419E-05     
  3      6.42324E+06            6.846343E-05     
  4      1.72120E+06            0.000160551      
  5 533994.0000000              0.0003573516     
  6 186194.0000000              0.0007524535     
  7  71201.7000000              0.001557729      
  8  29276.2000000              0.003215932      
  9  12742.3000000              0.006731782      
 10   5800.5100000              0.01430107       
 11   2736.9600000              0.03046694       
 12   1329.9900000              0.06307436       
 13    662.6110000              0.1211301        
 14    337.4150000              0.2019129        
 15    175.2340000              0.2621166        
 16     92.6434000              0.2203891        
 17     49.7576000              0.09741493       
 18     27.0728000              0.05139403       
 19     14.8610000              0.08720267       
 20      8.1812100              0.07201628       
 21      4.4794100              0.02033519       
 22      2.4119100              0.001482286      
 23      1.2584400             -3.935072E-05     
 24      0.6312340             -7.063343E-05     
 25      0.2152970             -3.872963E-07     
 26      0.1185100              5.656943E-06     
 27      0.0572090              5.765335E-06     
S   27
  1      1.61030E+08           -5.289415E-06     
  2      2.87558E+07           -1.271923E-05     
  3      6.42324E+06           -3.601347E-05     
  4      1.72120E+06           -8.448201E-05     
  5 533994.0000000             -0.0001881435     
  6 186194.0000000             -0.0003965136     
  7  71201.7000000             -0.0008220461     
  8  29276.2000000             -0.00170092       
  9  12742.3000000             -0.003573935      
 10   5800.5100000             -0.007640675      
 11   2736.9600000             -0.01646716       
 12   1329.9900000             -0.03483002       
 13    662.6110000             -0.06970371       
 14    337.4150000             -0.1257417        
 15    175.2340000             -0.1900435        
 16     92.6434000             -0.2055906        
 17     49.7576000             -0.08810301       
 18     27.0728000              0.1847425        
 19     14.8610000              0.4644587        
 20      8.1812100              0.3893510        
 21      4.4794100              0.1095439        
 22      2.4119100              0.00749383       
 23      1.2584400             -0.001499069      
 24      0.6312340             -0.0007921508     
 25      0.2152970             -6.025659E-05     
 26      0.1185100              6.137086E-05     
 27      0.0572090              1.596147E-05     
S   27
  1      1.61030E+08            1.229605E-06     
  2      2.87558E+07            2.957032E-06     
  3      6.42324E+06            8.373552E-06     
  4      1.72120E+06            1.964835E-05     
  5 533994.0000000              4.377266E-05     
  6 186194.0000000              9.232007E-05     
  7  71201.7000000              0.000191559      
  8  29276.2000000              0.0003971299     
  9  12742.3000000              0.0008362892     
 10   5800.5100000              0.001797242      
 11   2736.9600000              0.003901641      
 12   1329.9900000              0.008385303      
 13    662.6110000              0.01722495       
 14    337.4150000              0.03269722       
 15    175.2340000              0.05361657       
 16     92.6434000              0.06544278       
 17     49.7576000              0.02877317       
 18     27.0728000             -0.09285749       
 19     14.8610000             -0.3037701        
 20      8.1812100             -0.3649679        
 21      4.4794100             -0.01614853       
 22      2.4119100              0.4594886        
 23      1.2584400              0.5645161        
 24      0.6312340              0.2219477        
 25      0.2152970              0.01341422       
 26      0.1185100             -0.002819425      
 27      0.0572090              0.002850658      
S   27
  1      1.61030E+08           -2.623766E-07     
  2      2.87558E+07           -6.309811E-07     
  3      6.42324E+06           -1.786773E-06     
  4      1.72120E+06           -4.192681E-06     
  5 533994.0000000             -9.340377E-06     
  6 186194.0000000             -1.970036E-05     
  7  71201.7000000             -4.087664E-05     
  8  29276.2000000             -8.474813E-05     
  9  12742.3000000             -0.000178474      
 10   5800.5100000             -0.0003835678     
 11   2736.9600000             -0.0008329223     
 12   1329.9900000             -0.001790232      
 13    662.6110000             -0.003680833      
 14    337.4150000             -0.006991583      
 15    175.2340000             -0.0114996        
 16     92.6434000             -0.01407429       
 17     49.7576000             -0.006263082      
 18     27.0728000              0.02044358       
 19     14.8610000              0.06899805       
 20      8.1812100              0.08679416       
 21      4.4794100             -0.0002481641     
 22      2.4119100             -0.1278762        
 23      1.2584400             -0.2042779        
 24      0.6312340             -0.1679982        
 25      0.2152970              0.09731253       
 26      0.1185100              0.4059191        
 27      0.0572090              0.4984338        
S   27
  1      1.61030E+08           -5.219106E-07     
  2      2.87558E+07           -1.254702E-06     
  3      6.42324E+06           -3.555186E-06     
  4      1.72120E+06           -8.332619E-06     
  5 533994.0000000             -1.860578E-05     
  6 186194.0000000             -3.90719E-05      
  7  71201.7000000             -8.171241E-05     
  8  29276.2000000             -0.0001672056     
  9  12742.3000000             -0.0003592347     
 10   5800.5100000             -0.0007508135     
 11   2736.9600000             -0.001690506      
 12   1329.9900000             -0.003475677      
 13    662.6110000             -0.007545748      
 14    337.4150000             -0.01340552       
 15    175.2340000             -0.02418218       
 16     92.6434000             -0.0253850        
 17     49.7576000             -0.01864738       
 18     27.0728000              0.0535809        
 19     14.8610000              0.1194320        
 20      8.1812100              0.2332153        
 21      4.4794100             -0.08449372       
 22      2.4119100             -0.2635046        
 23      1.2584400             -0.7020055        
 24      0.6312340              0.2829039        
 25      0.2152970              1.2814760        
 26      0.1185100              0.08269332       
 27      0.0572090             -0.5151596        
S   27
  1      1.61030E+08           -8.836608E-07     
  2      2.87558E+07           -2.124067E-06     
  3      6.42324E+06           -6.020144E-06     
  4      1.72120E+06           -1.410295E-05     
  5 533994.0000000             -3.152172E-05     
  6 186194.0000000             -6.60715E-05      
  7  71201.7000000             -0.0001386482     
  8  29276.2000000             -0.0002821319     
  9  12742.3000000             -0.0006113458     
 10   5800.5100000             -0.001262795      
 11   2736.9600000             -0.002887387      
 12   1329.9900000             -0.005828135      
 13    662.6110000             -0.01295023       
 14    337.4150000             -0.02239885       
 15    175.2340000             -0.04203284       
 16     92.6434000             -0.04150388       
 17     49.7576000             -0.03625394       
 18     27.0728000              0.1006906        
 19     14.8610000              0.2013184        
 20      8.1812100              0.4996169        
 21      4.4794100             -0.2741211        
 22      2.4119100             -0.9585018        
 23      1.2584400             -0.9159533        
 24      0.6312340              2.3009600        
 25      0.2152970              0.4067037        
 26      0.1185100             -2.0722390        
 27      0.0572090              0.2039038        
S   27
  1      1.61030E+08            1.083962E-06     
  2      2.87558E+07            2.608069E-06     
  3      6.42324E+06            7.378921E-06     
  4      1.72120E+06            1.734385E-05     
  5 533994.0000000              3.851368E-05     
  6 186194.0000000              8.174321E-05     
  7  71201.7000000              0.0001677276     
  8  29276.2000000              0.0003543362     
  9  12742.3000000              0.0007253799     
 10   5800.5100000              0.001622418      
 11   2736.9600000              0.003348887      
 12   1329.9900000              0.007673761      
 13    662.6110000              0.01464827       
 14    337.4150000              0.03072353       
 15    175.2340000              0.0447970        
 16     92.6434000              0.06813346       
 17     49.7576000              0.01080639       
 18     27.0728000             -0.05323183       
 19     14.8610000             -0.4188921        
 20      8.1812100             -0.6190722        
 21      4.4794100              0.5395570        
 22      2.4119100              2.8852480        
 23      1.2584400             -3.2281870        
 24      0.6312340             -0.5981499        
 25      0.2152970              4.2621970        
 26      0.1185100             -3.1973340        
 27      0.0572090             -0.9026527        
S   27
  1      1.61030E+08            1.244828E-06     
  2      2.87558E+07            2.992113E-06     
  3      6.42324E+06            8.480955E-06     
  4      1.72120E+06            1.986664E-05     
  5 533994.0000000              4.44134E-05      
  6 186194.0000000              9.306556E-05     
  7  71201.7000000              0.0001954644     
  8  29276.2000000              0.0003972354     
  9  12742.3000000              0.0008630873     
 10   5800.5100000              0.001777112      
 11   2736.9600000              0.004087733      
 12   1329.9900000              0.008208135      
 13    662.6110000              0.01845557       
 14    337.4150000              0.0317399        
 15    175.2340000              0.06108727       
 16     92.6434000              0.05970255       
 17     49.7576000              0.05810058       
 18     27.0728000             -0.1582299        
 19     14.8610000             -0.3738525        
 20      8.1812100             -1.5325190        
 21      4.4794100              3.3585990        
 22      2.4119100              1.1755130        
 23      1.2584400             -7.4023150        
 24      0.6312340              7.1300430        
 25      0.2152970             -3.6484700        
 26      0.1185100             -0.3800983        
 27      0.0572090              3.3503540        
S   1
  1      0.0271660              1.0000000        
P   19
  1  97512.6000000              0.0000220        
  2  23815.1000000              0.0000660        
  3   7540.4300000              0.0002520        
  4   2854.0800000              0.0008480        
  5   1217.6900000              0.0028130        
  6    562.5150000              0.0086460        
  7    274.2740000              0.0244890        
  8    139.1140000              0.0618950        
  9     72.8598000              0.1332890        
 10     39.2448000              0.2296000        
 11     21.6430000              0.3028860        
 12     12.1149000              0.2711760        
 13      6.7691200              0.1320160        
 14      3.7052800              0.0248220        
 15      1.9790100             -0.0009360        
 16      1.0312700             -0.0020170        
 17      0.5136090             -0.0008300        
 18      0.2044820             -0.0000530        
 19      0.0838700             -0.0000020        
P   19
  1  97512.6000000             -0.0000080        
  2  23815.1000000             -0.0000230        
  3   7540.4300000             -0.0000900        
  4   2854.0800000             -0.0003030        
  5   1217.6900000             -0.0010070        
  6    562.5150000             -0.0031120        
  7    274.2740000             -0.0089090        
  8    139.1140000             -0.0229590        
  9     72.8598000             -0.0509740        
 10     39.2448000             -0.0910870        
 11     21.6430000             -0.1264160        
 12     12.1149000             -0.1093480        
 13      6.7691200              0.0360560        
 14      3.7052800              0.2668180        
 15      1.9790100              0.4018200        
 16      1.0312700              0.3216300        
 17      0.5136090              0.1188690        
 18      0.2044820              0.0106110        
 19      0.0838700             -0.0002040        
P   19
  1  97512.6000000              0.0000020        
  2  23815.1000000              0.0000050        
  3   7540.4300000              0.0000200        
  4   2854.0800000              0.0000660        
  5   1217.6900000              0.0002230        
  6    562.5150000              0.0006820        
  7    274.2740000              0.0019780        
  8    139.1140000              0.0050420        
  9     72.8598000              0.0113810        
 10     39.2448000              0.0200420        
 11     21.6430000              0.0287430        
 12     12.1149000              0.0236180        
 13      6.7691200             -0.0094800        
 14      3.7052800             -0.0734850        
 15      1.9790100             -0.1067580        
 16      1.0312700             -0.1068070        
 17      0.5136090              0.0419610        
 18      0.2044820              0.3566630        
 19      0.0838700              0.5236540        
P   19
  1  97512.6000000              0.0000030        
  2  23815.1000000              0.0000080        
  3   7540.4300000              0.0000320        
  4   2854.0800000              0.0001050        
  5   1217.6900000              0.0003580        
  6    562.5150000              0.0010780        
  7    274.2740000              0.0031740        
  8    139.1140000              0.0079580        
  9     72.8598000              0.0182850        
 10     39.2448000              0.0315250        
 11     21.6430000              0.0468610        
 12     12.1149000              0.0364210        
 13      6.7691200             -0.0118170        
 14      3.7052800             -0.1276830        
 15      1.9790100             -0.1731630        
 16      1.0312700             -0.1635510        
 17      0.5136090              0.1536860        
 18      0.2044820              0.6349130        
 19      0.0838700              0.3577730        
P   19
  1  97512.6000000              0.0000060        
  2  23815.1000000              0.0000170        
  3   7540.4300000              0.0000670        
  4   2854.0800000              0.0002110        
  5   1217.6900000              0.0007580        
  6    562.5150000              0.0021560        
  7    274.2740000              0.0067440        
  8    139.1140000              0.0158960        
  9     72.8598000              0.0391480        
 10     39.2448000              0.0618960        
 11     21.6430000              0.1055240        
 12     12.1149000              0.0714280        
 13      6.7691200             -0.0044130        
 14      3.7052800             -0.4223150        
 15      1.9790100             -0.4262330        
 16      1.0312700              0.0815560        
 17      0.5136090              1.1466020        
 18      0.2044820             -0.1112240        
 19      0.0838700             -0.7105390        
P   19
  1  97512.6000000              0.0000070        
  2  23815.1000000              0.0000220        
  3   7540.4300000              0.0000780        
  4   2854.0800000              0.0002990        
  5   1217.6900000              0.0008450        
  6    562.5150000              0.0031230        
  7    274.2740000              0.0074230        
  8    139.1140000              0.0233610        
  9     72.8598000              0.0418220        
 10     39.2448000              0.0975620        
 11     21.6430000              0.0946120        
 12     12.1149000              0.2204310        
 13      6.7691200             -0.2118190        
 14      3.7052800             -0.7588750        
 15      1.9790100             -0.4724910        
 16      1.0312700              2.0963660        
 17      0.5136090             -0.7589120        
 18      0.2044820             -1.1642940        
 19      0.0838700              1.0676890        
P   19
  1  97512.6000000              0.0000100        
  2  23815.1000000              0.0000310        
  3   7540.4300000              0.0001100        
  4   2854.0800000              0.0004180        
  5   1217.6900000              0.0011970        
  6    562.5150000              0.0043860        
  7    274.2740000              0.0105980        
  8    139.1140000              0.0331430        
  9     72.8598000              0.0606140        
 10     39.2448000              0.1404950        
 11     21.6430000              0.1393730        
 12     12.1149000              0.4499180        
 13      6.7691200             -0.9931010        
 14      3.7052800             -1.4130860        
 15      1.9790100              2.9290650        
 16      1.0312700             -0.6058880        
 17      0.5136090             -1.8335560        
 18      0.2044820              2.0771050        
 19      0.0838700             -0.9947610        
P   1
  1      0.0341020              1.0000000        
D   11
  1    545.1100000              0.0001810        
  2    160.5580000              0.0016350        
  3     61.6223000              0.0089410        
  4     26.8224000              0.0327080        
  5     12.4583000              0.0893220        
  6      6.0606600              0.1819660        
  7      2.9951700              0.2666540        
  8      1.4647770              0.2974140        
  9      0.6982420              0.2620050        
 10      0.3200570              0.1719960        
 11      0.1388040              0.0667780        
D   11
  1    545.1100000             -0.0002090        
  2    160.5580000             -0.0019030        
  3     61.6223000             -0.0104410        
  4     26.8224000             -0.0384790        
  5     12.4583000             -0.1079020        
  6      6.0606600             -0.2222780        
  7      2.9951700             -0.2817040        
  8      1.4647770             -0.1294980        
  9      0.6982420              0.2102160        
 10      0.3200570              0.4320100        
 11      0.1388040              0.3313770        
D   11
  1    545.1100000              0.0002770        
  2    160.5580000              0.0025550        
  3     61.6223000              0.0139620        
  4     26.8224000              0.0525040        
  5     12.4583000              0.1517350        
  6      6.0606600              0.3163190        
  7      2.9951700              0.2342970        
  8      1.4647770             -0.3302410        
  9      0.6982420             -0.5981010        
 10      0.3200570              0.0737630        
 11      0.1388040              0.5953900        
D   11
  1    545.1100000             -0.0003850        
  2    160.5580000             -0.0036800        
  3     61.6223000             -0.0196840        
  4     26.8224000             -0.0765810        
  5     12.4583000             -0.2355780        
  6      6.0606600             -0.5047020        
  7      2.9951700              0.2497730        
  8      1.4647770              0.9813720        
  9      0.6982420             -0.5418260        
 10      0.3200570             -0.7166120        
 11      0.1388040              0.6007770        
D   11
  1    545.1100000             -0.0005830        
  2    160.5580000             -0.0042550        
  3     61.6223000             -0.0289000        
  4     26.8224000             -0.0939660        
  5     12.4583000             -0.4172350        
  6      6.0606600             -0.4197820        
  7      2.9951700              1.4598530        
  8      1.4647770             -0.5170060        
  9      0.6982420             -1.1613150        
 10      0.3200570              1.4364000        
 11      0.1388040             -0.3666040        
D   1
  1      0.0550170              1.0000000        
F   1
  1      8.5503000              1.0000000        
F   1
  1      2.9980000              1.0000000        
F   1
  1      1.0512000              1.0000000        
F   1
  1      0.3686000              1.0000000        
G   1
  1      6.7153000              1.0000000        
G   1
  1      2.2928000              1.0000000        
G   1
  1      0.7828000              1.0000000        
H   1
  1      4.8975000              1.0000000        
H   1
  1      1.5288000              1.0000000        
I   1
  1      3.6607000              1.0000000        


name: cc-pV5Z-DK
description: V5Z4P Douglas-Kroll Valence Quintuple Zeta + Polarization
elt: Ni
data:
NICKEL
S   27
  1      1.68793E+08            1.11455E-05      
  2      3.01369E+07            2.674566E-05     
  3      6.73075E+06            7.560786E-05     
  4      1.80337E+06            0.0001769323     
  5 559438.0000000              0.0003929173     
  6 195064.0000000              0.0008248052     
  7  74600.7000000              0.001701009      
  8  30681.7000000              0.003494599      
  9  13360.3000000              0.007272797      
 10   6086.1600000              0.01535118       
 11   2874.6200000              0.03249089       
 12   1398.7200000              0.06684987       
 13    697.9810000              0.1276102        
 14    356.1100000              0.2114163        
 15    185.3460000              0.2728573        
 16     98.2221000              0.2286785        
 17     52.8834000              0.09942012       
 18     28.8424000              0.04031309       
 19     15.8664000              0.05927035       
 20      8.7493300              0.04712619       
 21      4.7948200              0.01288533       
 22      2.5812400              0.0008317535     
 23      1.3445000             -7.554855E-05     
 24      0.6723740             -6.85942E-05      
 25      0.2246400              1.366875E-07     
 26      0.1201920             -7.552748E-08     
 27      0.0581540              9.323819E-07     
S   27
  1      1.68793E+08           -5.043764E-06     
  2      3.01369E+07           -1.210492E-05     
  3      6.73075E+06           -3.422672E-05     
  4      1.80337E+06           -8.012597E-05     
  5 559438.0000000             -0.000178053      
  6 195064.0000000             -0.0003741491     
  7  74600.7000000             -0.0007729059     
  8  30681.7000000             -0.001591974      
  9  13360.3000000             -0.003327596      
 10   6086.1600000             -0.007074535      
 11   2874.6200000             -0.01517166       
 12   1398.7200000             -0.03197645       
 13    697.9810000             -0.06391677       
 14    356.1100000             -0.1155230        
 15    185.3460000             -0.1756848        
 16     98.2221000             -0.1910176        
 17     52.8834000             -0.07648369       
 18     28.8424000              0.1982116        
 19     15.8664000              0.4740300        
 20      8.7493300              0.3847731        
 21      4.7948200              0.1045997        
 22      2.5812400              0.006103306      
 23      1.3445000             -0.002299311      
 24      0.6723740             -0.001081425      
 25      0.2246400             -7.510386E-05     
 26      0.1201920              4.010015E-05     
 27      0.0581540             -1.281769E-05     
S   27
  1      1.68793E+08            1.330912E-06     
  2      3.01369E+07            3.194398E-06     
  3      6.73075E+06            9.033045E-06     
  4      1.80337E+06            2.115166E-05     
  5 559438.0000000              4.70163E-05      
  6 195064.0000000              9.886182E-05     
  7  74600.7000000              0.0002043699     
  8  30681.7000000              0.0004216639     
  9  13360.3000000              0.0008829815     
 10   6086.1600000              0.001885769      
 11   2874.6200000              0.004068372      
 12   1398.7200000              0.00869209       
 13    697.9810000              0.01775274       
 14    356.1100000              0.0334876        
 15    185.3460000              0.05445887       
 16     98.2221000              0.06548033       
 17     52.8834000              0.02662443       
 18     28.8424000             -0.09916549       
 19     15.8664000             -0.3121481        
 20      8.7493300             -0.3590690        
 21      4.7948200              0.002604259      
 22      2.5812400              0.4711867        
 23      1.3445000              0.5527499        
 24      0.6723740              0.2135531        
 25      0.2246400              0.01362464       
 26      0.1201920             -0.003080643      
 27      0.0581540              0.002927857      
S   27
  1      1.68793E+08           -2.819239E-07     
  2      3.01369E+07           -6.766625E-07     
  3      6.73075E+06           -1.913452E-06     
  4      1.80337E+06           -4.480559E-06     
  5 559438.0000000             -9.959456E-06     
  6 195064.0000000             -2.094236E-05     
  7  74600.7000000             -4.329337E-05     
  8  30681.7000000             -8.932529E-05     
  9  13360.3000000             -0.0001870752     
 10   6086.1600000             -0.0003995025     
 11   2874.6200000             -0.000862274      
 12   1398.7200000             -0.001842008      
 13    697.9810000             -0.003766607      
 14    356.1100000             -0.0071071        
 15    185.3460000             -0.01159882       
 16     98.2221000             -0.01397056       
 17     52.8834000             -0.005773919      
 18     28.8424000              0.02171281       
 19     15.8664000              0.07030194       
 20      8.7493300              0.08462533       
 21      4.7948200             -0.005047669      
 22      2.5812400             -0.1296901        
 23      1.3445000             -0.2012956        
 24      0.6723740             -0.1582789        
 25      0.2246400              0.1163200        
 26      0.1201920              0.4124561        
 27      0.0581540              0.4807054        
S   27
  1      1.68793E+08           -5.758226E-07     
  2      3.01369E+07           -1.38159E-06      
  3      6.73075E+06           -3.909269E-06     
  4      1.80337E+06           -9.14339E-06      
  5 559438.0000000             -2.037045E-05     
  6 195064.0000000             -4.264871E-05     
  7  74600.7000000             -8.886206E-05     
  8  30681.7000000             -0.0001809535     
  9  13360.3000000             -0.0003866838     
 10   6086.1600000             -0.0008027343     
 11   2874.6200000             -0.00179786       
 12   1398.7200000             -0.003669051      
 13    697.9810000             -0.007937377      
 14    356.1100000             -0.01396658       
 15    185.3460000             -0.02511315       
 16     98.2221000             -0.02566644       
 17     52.8834000             -0.01852144       
 18     28.8424000              0.05817027       
 19     15.8664000              0.1236915        
 20      8.7493300              0.2398630        
 21      4.7948200             -0.09725587       
 22      2.5812400             -0.2959249        
 23      1.3445000             -0.6959261        
 24      0.6723740              0.3665478        
 25      0.2246400              1.2213420        
 26      0.1201920              0.04730264       
 27      0.0581540             -0.4820361        
S   27
  1      1.68793E+08           -9.674943E-07     
  2      3.01369E+07           -2.321048E-06     
  3      6.73075E+06           -6.56906E-06      
  4      1.80337E+06           -1.535772E-05     
  5 559438.0000000             -3.424501E-05     
  6 195064.0000000             -7.158093E-05     
  7  74600.7000000             -0.0001495874     
  8  30681.7000000             -0.0003031282     
  9  13360.3000000             -0.0006526477     
 10   6086.1600000             -0.00134082       
 11   2874.6200000             -0.003044579      
 12   1398.7200000             -0.006111454      
 13    697.9810000             -0.01350153       
 14    356.1100000             -0.02318684       
 15    185.3460000             -0.04322462       
 16     98.2221000             -0.04171037       
 17     52.8834000             -0.03556996       
 18     28.8424000              0.1066222        
 19     15.8664000              0.2047607        
 20      8.7493300              0.5238749        
 21      4.7948200             -0.3124284        
 22      2.5812400             -1.0563740        
 23      1.3445000             -0.7333535        
 24      0.6723740              2.2736060        
 25      0.2246400              0.1293375        
 26      0.1201920             -1.8379900        
 27      0.0581540              0.2467702        
S   27
  1      1.68793E+08            1.219283E-06     
  2      3.01369E+07            2.927075E-06     
  3      6.73075E+06            8.274214E-06     
  4      1.80337E+06            1.938851E-05     
  5 559438.0000000              4.304164E-05     
  6 195064.0000000              9.073844E-05     
  7  74600.7000000              0.0001867539     
  8  30681.7000000              0.000388259      
  9  13360.3000000              0.0008041199     
 10   6086.1600000              0.001745217      
 11   2874.6200000              0.003693127      
 12   1398.7200000              0.008099889      
 13    697.9810000              0.01610158       
 14    356.1100000              0.03171001       
 15    185.3460000              0.04955722       
 16     98.2221000              0.06568098       
 17     52.8834000              0.02018518       
 18     28.8424000             -0.08281828       
 19     15.8664000             -0.3786365        
 20      8.7493300             -0.8691045        
 21      4.7948200              1.0440740        
 22      2.5812400              2.7351460        
 23      1.3445000             -3.8497350        
 24      0.6723740              0.2236010        
 25      0.2246400              3.6624860        
 26      0.1201920             -3.1322300        
 27      0.0581540             -0.5312799        
S   27
  1      1.68793E+08            1.322514E-06     
  2      3.01369E+07            3.170046E-06     
  3      6.73075E+06            8.985543E-06     
  4      1.80337E+06            2.094946E-05     
  5 559438.0000000              4.697022E-05     
  6 195064.0000000              9.71579E-05      
  7  74600.7000000              0.0002069702     
  8  30681.7000000              0.0004060092     
  9  13360.3000000              0.0009187785     
 10   6086.1600000              0.001758203      
 11   2874.6200000              0.00438095       
 12   1398.7200000              0.00782895       
 13    697.9810000              0.0199857        
 14    356.1100000              0.02869828       
 15    185.3460000              0.0684648        
 16     98.2221000              0.04130795       
 17     52.8834000              0.09157975       
 18     28.8424000             -0.2333703        
 19     15.8664000             -0.2092151        
 20      8.7493300             -2.0472240        
 21      4.7948200              4.7032490        
 22      2.5812400             -0.8023461        
 23      1.3445000             -5.9141560        
 24      0.6723740              6.7956740        
 25      0.2246400             -4.5843590        
 26      0.1201920              1.1645270        
 27      0.0581540              2.3855290        
S   1
  1      0.0277230              1.0000000        
P   19
  1 104158.0000000              0.0000240        
  2  25289.1000000              0.0000710        
  3   7974.0600000              0.0002700        
  4   3013.0100000              0.0009000        
  5   1286.4100000              0.0029550        
  6    595.8550000              0.0089790        
  7    291.6560000              0.0251730        
  8    148.5440000              0.0630870        
  9     78.0737000              0.1350930        
 10     42.1478000              0.2320840        
 11     23.2599000              0.3048650        
 12     13.0121000              0.2689810        
 13      7.2639900              0.1273410        
 14      3.9735700              0.0226490        
 15      2.1215600             -0.0014960        
 16      1.1051500             -0.0023130        
 17      0.5499500             -0.0009250        
 18      0.2109760             -0.0000590        
 19      0.0846800              0.0000020        
P   19
  1 104158.0000000             -0.0000080        
  2  25289.1000000             -0.0000250        
  3   7974.0600000             -0.0000960        
  4   3013.0100000             -0.0003220        
  5   1286.4100000             -0.0010610        
  6    595.8550000             -0.0032420        
  7    291.6560000             -0.0091870        
  8    148.5440000             -0.0234940        
  9     78.0737000             -0.0518810        
 10     42.1478000             -0.0925700        
 11     23.2599000             -0.1279250        
 12     13.0121000             -0.1071910        
 13      7.2639900              0.0450880        
 14      3.9735700              0.2753100        
 15      2.1215600              0.4006790        
 16      1.1051500              0.3121110        
 17      0.5499500              0.1165030        
 18      0.2109760              0.0109500        
 19      0.0846800             -0.0004560        
P   19
  1 104158.0000000              0.0000020        
  2  25289.1000000              0.0000050        
  3   7974.0600000              0.0000200        
  4   3013.0100000              0.0000650        
  5   1286.4100000              0.0002170        
  6    595.8550000              0.0006530        
  7    291.6560000              0.0018820        
  8    148.5440000              0.0047430        
  9     78.0737000              0.0106900        
 10     42.1478000              0.0187080        
 11     23.2599000              0.0268930        
 12     13.0121000              0.0209700        
 13      7.2639900             -0.0104270        
 14      3.9735700             -0.0696820        
 15      2.1215600             -0.0955950        
 16      1.1051500             -0.0977650        
 17      0.5499500              0.0389470        
 18      0.2109760              0.3452550        
 19      0.0846800              0.5265360        
P   19
  1 104158.0000000              0.0000040        
  2  25289.1000000              0.0000110        
  3   7974.0600000              0.0000410        
  4   3013.0100000              0.0001340        
  5   1286.4100000              0.0004580        
  6    595.8550000              0.0013370        
  7    291.6560000              0.0039890        
  8    148.5440000              0.0096870        
  9     78.0737000              0.0227420        
 10     42.1478000              0.0378790        
 11     23.2599000              0.0588910        
 12     13.0121000              0.0404660        
 13      7.2639900             -0.0143880        
 14      3.9735700             -0.1788770        
 15      2.1215600             -0.2026780        
 16      1.1051500             -0.1551100        
 17      0.5499500              0.2878760        
 18      0.2109760              0.6314600        
 19      0.0846800              0.2620860        
P   19
  1 104158.0000000              0.0000060        
  2  25289.1000000              0.0000190        
  3   7974.0600000              0.0000740        
  4   3013.0100000              0.0002340        
  5   1286.4100000              0.0008290        
  6    595.8550000              0.0023390        
  7    291.6560000              0.0072320        
  8    148.5440000              0.0169390        
  9     78.0737000              0.0414520        
 10     42.1478000              0.0655390        
 11     23.2599000              0.1111980        
 12     13.0121000              0.0751090        
 13      7.2639900             -0.0190020        
 14      3.9735700             -0.4847590        
 15      2.1215600             -0.4090310        
 16      1.1051500              0.2615810        
 17      0.5499500              1.0593320        
 18      0.2109760             -0.3141640        
 19      0.0846800             -0.6289690        
P   19
  1 104158.0000000              0.0000080        
  2  25289.1000000              0.0000250        
  3   7974.0600000              0.0000880        
  4   3013.0100000              0.0003320        
  5   1286.4100000              0.0009370        
  6    595.8550000              0.0034100        
  7    291.6560000              0.0080480        
  8    148.5440000              0.0251120        
  9     78.0737000              0.0448180        
 10     42.1478000              0.1038800        
 11     23.2599000              0.1028040        
 12     13.0121000              0.2396150        
 13      7.2639900             -0.2936930        
 14      3.9735700             -0.8582750        
 15      2.1215600             -0.1754300        
 16      1.1051500              2.1212470        
 17      0.5499500             -1.1875640        
 18      0.2109760             -0.8018700        
 19      0.0846800              1.0006810        
P   19
  1 104158.0000000              0.0000110        
  2  25289.1000000              0.0000360        
  3   7974.0600000              0.0001210        
  4   3013.0100000              0.0004810        
  5   1286.4100000              0.0012740        
  6    595.8550000              0.0049790        
  7    291.6560000              0.0109720        
  8    148.5440000              0.0371840        
  9     78.0737000              0.0613990        
 10     42.1478000              0.1591110        
 11     23.2599000              0.1374730        
 12     13.0121000              0.5368010        
 13      7.2639900             -1.4484750        
 14      3.9735700             -0.9215800        
 15      2.1215600              3.2225130        
 16      1.1051500             -1.6253210        
 17      0.5499500             -0.9546340        
 18      0.2109760              1.7502800        
 19      0.0846800             -1.0325020        
P   1
  1      0.0338250              1.0000000        
D   11
  1    606.3219000              0.0001750        
  2    178.0133000              0.0015890        
  3     68.1978800              0.0087470        
  4     29.6844500              0.0322300        
  5     13.8110200              0.0881300        
  6      6.7329400              0.1786790        
  7      3.3339400              0.2602620        
  8      1.6332300              0.2887410        
  9      0.7793770              0.2577120        
 10      0.3572790              0.1830620        
 11      0.1546890              0.0924910        
D   11
  1    606.3219000             -0.0001800        
  2    178.0133000             -0.0016390        
  3     68.1978800             -0.0090510        
  4     29.6844500             -0.0335490        
  5     13.8110200             -0.0938500        
  6      6.7329400             -0.1922910        
  7      3.3339400             -0.2488300        
  8      1.6332300             -0.1470970        
  9      0.7793770              0.1116550        
 10      0.3572790              0.3505420        
 11      0.1546890              0.4117870        
D   11
  1    606.3219000              0.0002520        
  2    178.0133000              0.0023260        
  3     68.1978800              0.0128210        
  4     29.6844500              0.0482080        
  5     13.8110200              0.1383100        
  6      6.7329400              0.2885600        
  7      3.3339400              0.2632470        
  8      1.6332300             -0.1857870        
  9      0.7793770             -0.5540290        
 10      0.3572790             -0.1971970        
 11      0.1546890              0.4546310        
D   11
  1    606.3219000             -0.0003460        
  2    178.0133000             -0.0033530        
  3     68.1978800             -0.0179140        
  4     29.6844500             -0.0703320        
  5     13.8110200             -0.2107640        
  6      6.7329400             -0.4608870        
  7      3.3339400              0.0843710        
  8      1.6332300              0.8568230        
  9      0.7793770             -0.0668550        
 10      0.3572790             -0.7883020        
 11      0.1546890              0.0988680        
D   11
  1    606.3219000              0.0004490        
  2    178.0133000              0.0038930        
  3     68.1978800              0.0229740        
  4     29.6844500              0.0841790        
  5     13.8110200              0.3161640        
  6      6.7329400              0.4971100        
  7      3.3339400             -1.0251380        
  8      1.6332300             -0.2645880        
  9      0.7793770              1.3547650        
 10      0.3572790             -0.6768780        
 11      0.1546890             -0.5849220        
D   1
  1      0.0610440              1.0000000        
F   1
  1      9.6877000              1.0000000        
F   1
  1      3.4196000              1.0000000        
F   1
  1      1.2071000              1.0000000        
F   1
  1      0.4261000              1.0000000        
G   1
  1      7.7671000              1.0000000        
G   1
  1      2.6799000              1.0000000        
G   1
  1      0.9247000              1.0000000        
H   1
  1      5.6035000              1.0000000        
H   1
  1      1.7637000              1.0000000        
I   1
  1      4.2210000              1.0000000        


name: cc-pV5Z-DK
description: V5Z4P Douglas-Kroll Valence Quintuple Zeta + Polarization
elt: Cu
data:
COPPER
S   27
  1      1.93188E+08            1.077111E-05     
  2      3.39452E+07            2.625955E-05     
  3      7.51046E+06            7.413449E-05     
  4      2.00199E+06            0.0001734629     
  5 619378.0000000              0.0003840298     
  6 215606.0000000              0.0008032141     
  7  82327.1000000              0.001649225      
  8  33788.4000000              0.003372931      
  9  14670.0000000              0.006989594      
 10   6657.4400000              0.01470704       
 11   3130.2600000              0.03109209       
 12   1515.6100000              0.06402318       
 13    752.5880000              0.1223119        
 14    382.2490000              0.2021016        
 15    198.2370000              0.2578689        
 16    104.8100000              0.2105213        
 17     56.3885000              0.09118179       
 18     30.7830000              0.05811314       
 19     16.9770000              0.09982583       
 20      9.3972500              0.07825785       
 21      5.1723800              0.02124379       
 22      2.7953500              0.001490741      
 23      1.4589000             -8.034167E-05     
 24      0.7287110             -8.694162E-05     
 25      0.2376420             -4.981296E-07     
 26      0.1278210             -2.831761E-07     
 27      0.0618150             -3.684816E-07     
S   27
  1      1.93188E+08           -6.055029E-06     
  2      3.39452E+07           -1.476355E-05     
  3      7.51046E+06           -4.168743E-05     
  4      2.00199E+06           -9.757587E-05     
  5 619378.0000000             -0.0002161504     
  6 215606.0000000             -0.0004525034     
  7  82327.1000000             -0.0009305228     
  8  33788.4000000             -0.00190745       
  9  14670.0000000             -0.003968234      
 10   6657.4400000             -0.008403249      
 11   3130.2600000             -0.0179753        
 12   1515.6100000             -0.03781603       
 13    752.5880000             -0.07530726       
 14    382.2490000             -0.1347303        
 15    198.2370000             -0.2004800        
 16    104.8100000             -0.2103662        
 17     56.3885000             -0.08099849       
 18     30.7830000              0.2019008        
 19     16.9770000              0.4684795        
 20      9.3972500              0.3716495        
 21      5.1723800              0.1005149        
 22      2.7953500              0.006557564      
 23      1.4589000             -0.001464478      
 24      0.7287110             -0.0007554723     
 25      0.2376420             -4.298019E-05     
 26      0.1278210              2.008032E-05     
 27      0.0618150             -1.28462E-05      
S   27
  1      1.93188E+08            1.365622E-06     
  2      3.39452E+07            3.330013E-06     
  3      7.51046E+06            9.404136E-06     
  4      2.00199E+06            2.201838E-05     
  5 619378.0000000              4.879563E-05     
  6 215606.0000000              0.0001022349     
  7  82327.1000000              0.0002104518     
  8  33788.4000000              0.0004322946     
  9  14670.0000000              0.0009017209     
 10   6657.4400000              0.001920162      
 11   3130.2600000              0.004141411      
 12   1515.6100000              0.008862935      
 13    752.5880000              0.01816551       
 14    382.2490000              0.03433784       
 15    198.2370000              0.05584286       
 16    104.8100000              0.06656064       
 17     56.3885000              0.02553591       
 18     30.7830000             -0.1053112        
 19     16.9770000             -0.3198780        
 20      9.3972500             -0.3556905        
 21      5.1723800              0.01130417       
 22      2.7953500              0.4740647        
 23      1.4589000              0.5533553        
 24      0.7287110              0.2082356        
 25      0.2376420              0.0116683        
 26      0.1278210             -0.002622343      
 27      0.0618150              0.002690526      
S   27
  1      1.93188E+08           -2.789768E-07     
  2      3.39452E+07           -6.802742E-07     
  3      7.51046E+06           -1.921131E-06     
  4      2.00199E+06           -4.498099E-06     
  5 619378.0000000             -9.968316E-06     
  6 215606.0000000             -2.088599E-05     
  7  82327.1000000             -4.299405E-05     
  8  33788.4000000             -8.831869E-05     
  9  14670.0000000             -0.0001842403     
 10   6657.4400000             -0.0003923213     
 11   3130.2600000             -0.0008464902     
 12   1515.6100000             -0.001811466      
 13    752.5880000             -0.003717044      
 14    382.2490000             -0.007029216      
 15    198.2370000             -0.01147243       
 16    104.8100000             -0.01370233       
 17     56.3885000             -0.005346494      
 18     30.7830000              0.02228982       
 19     16.9770000              0.06967914       
 20      9.3972500              0.0810406        
 21      5.1723800             -0.007157706      
 22      2.7953500             -0.1263160        
 23      1.4589000             -0.1946258        
 24      0.7287110             -0.1527500        
 25      0.2376420              0.1154243        
 26      0.1278210              0.3991441        
 27      0.0618150              0.4799799        
S   27
  1      1.93188E+08            5.256631E-07     
  2      3.39452E+07            1.281398E-06     
  3      7.51046E+06            3.620811E-06     
  4      2.00199E+06            8.468753E-06     
  5 619378.0000000              1.880668E-05     
  6 215606.0000000              3.924933E-05     
  7  82327.1000000              8.137567E-05     
  8  33788.4000000              0.000165174      
  9  14670.0000000              0.000350962      
 10   6657.4400000              0.0007282674     
 11   3130.2600000              0.001625411      
 12   1515.6100000              0.003335832      
 13    752.5880000              0.007208186      
 14    382.2490000              0.01278165       
 15    198.2370000              0.02283162       
 16    104.8100000              0.02334065       
 17     56.3885000              0.01595276       
 18     30.7830000             -0.05434073       
 19     16.9770000             -0.1136366        
 20      9.3972500             -0.2099786        
 21      5.1723800              0.09414343       
 22      2.7953500              0.2422684        
 23      1.4589000              0.6087557        
 24      0.7287110             -0.2343794        
 25      0.2376420             -1.1416750        
 26      0.1278210             -0.1782541        
 27      0.0618150              0.4035479        
S   27
  1      1.93188E+08           -1.018537E-06     
  2      3.39452E+07           -2.482537E-06     
  3      7.51046E+06           -7.016568E-06     
  4      2.00199E+06           -1.640376E-05     
  5 619378.0000000             -3.646087E-05     
  6 215606.0000000             -7.596561E-05     
  7  82327.1000000             -0.0001579847     
  8  33788.4000000             -0.0003190542     
  9  14670.0000000             -0.0006832399     
 10   6657.4400000             -0.001402533      
 11   3130.2600000             -0.003175317      
 12   1515.6100000             -0.006406116      
 13    752.5880000             -0.01414823       
 14    382.2490000             -0.02446125       
 15    198.2370000             -0.04539208       
 16    104.8100000             -0.04364678       
 17     56.3885000             -0.03593717       
 18     30.7830000              0.1158014        
 19     16.9770000              0.2189176        
 20      9.3972500              0.5339716        
 21      5.1723800             -0.3667391        
 22      2.7953500             -0.9950360        
 23      1.4589000             -0.7916657        
 24      0.7287110              2.2174050        
 25      0.2376420              0.2946674        
 26      0.1278210             -1.7996860        
 27      0.0618150              0.1028281        
S   27
  1      1.93188E+08            1.20746E-06      
  2      3.39452E+07            2.94561E-06      
  3      7.51046E+06            8.312365E-06     
  4      2.00199E+06            1.949021E-05     
  5 619378.0000000              4.307576E-05     
  6 215606.0000000              9.073116E-05     
  7  82327.1000000              0.0001850359     
  8  33788.4000000              0.0003861571     
  9  14670.0000000              0.0007865736     
 10   6657.4400000              0.001732797      
 11   3130.2600000              0.00358064       
 12   1515.6100000              0.008097814      
 13    752.5880000              0.01558648       
 14    382.2490000              0.03216552       
 15    198.2370000              0.04720413       
 16    104.8100000              0.06880884       
 17     56.3885000              0.008728479      
 18     30.7830000             -0.06368039       
 19     16.9770000             -0.4284988        
 20      9.3972500             -0.7491074        
 21      5.1723800              0.9663569        
 22      2.7953500              2.5473610        
 23      1.4589000             -3.3894080        
 24      0.7287110             -0.1558572        
 25      0.2376420              3.8360120        
 26      0.1278210             -3.0972150        
 27      0.0618150             -0.6882707        
S   27
  1      1.93188E+08            1.406211E-06     
  2      3.39452E+07            3.425372E-06     
  3      7.51046E+06            9.691645E-06     
  4      2.00199E+06            2.261509E-05     
  5 619378.0000000              5.045662E-05     
  6 215606.0000000              0.0001043775     
  7  82327.1000000              0.0002199608     
  8  33788.4000000              0.0004344424     
  9  14670.0000000              0.0009629595     
 10   6657.4400000              0.001882724      
 11   3130.2600000              0.004546442      
 12   1515.6100000              0.008470707      
 13    752.5880000              0.02070016       
 14    382.2490000              0.03167919       
 15    198.2370000              0.07012152       
 16    104.8100000              0.04923578       
 17     56.3885000              0.08273867       
 18     30.7830000             -0.2216691        
 19     16.9770000             -0.3170282        
 20      9.3972500             -1.9510380        
 21      5.1723800              4.7655350        
 22      2.7953500             -0.8952648        
 23      1.4589000             -5.7607260        
 24      0.7287110              6.4636960        
 25      0.2376420             -4.0960100        
 26      0.1278210              0.7479657        
 27      0.0618150              2.4905270        
S   1
  1      0.0293030              1.0000000        
P   19
  1 110294.0000000              0.0000260        
  2  26939.1000000              0.0000750        
  3   8550.7100000              0.0002810        
  4   3246.1900000              0.0009180        
  5   1388.4600000              0.0029920        
  6    642.4740000              0.0090870        
  7    313.5700000              0.0255820        
  8    159.1610000              0.0643480        
  9     83.4414000              0.1376450        
 10     45.0196000              0.2349520        
 11     24.8894000              0.3047840        
 12     13.9731000              0.2648080        
 13      7.8257100              0.1241960        
 14      4.2863200              0.0222350        
 15      2.2903400             -0.0009000        
 16      1.1934200             -0.0017820        
 17      0.5937650             -0.0006950        
 18      0.2244380             -0.0000370        
 19      0.0890540             -0.0000010        
P   19
  1 110294.0000000             -0.0000090        
  2  26939.1000000             -0.0000270        
  3   8550.7100000             -0.0001020        
  4   3246.1900000             -0.0003340        
  5   1388.4600000             -0.0010910        
  6    642.4740000             -0.0033330        
  7    313.5700000             -0.0094840        
  8    159.1610000             -0.0243520        
  9     83.4414000             -0.0537450        
 10     45.0196000             -0.0953630        
 11     24.8894000             -0.1301120        
 12     13.9731000             -0.1056390        
 13      7.8257100              0.0508120        
 14      4.2863200              0.2812260        
 15      2.2903400              0.4021990        
 16      1.1934200              0.3078070        
 17      0.5937650              0.1096300        
 18      0.2244380              0.0091710        
 19      0.0890540             -0.0004380        
P   19
  1 110294.0000000              0.0000020        
  2  26939.1000000              0.0000050        
  3   8550.7100000              0.0000200        
  4   3246.1900000              0.0000650        
  5   1388.4600000              0.0002140        
  6    642.4740000              0.0006440        
  7    313.5700000              0.0018640        
  8    159.1610000              0.0047140        
  9     83.4414000              0.0106300        
 10     45.0196000              0.0184760        
 11     24.8894000              0.0262980        
 12     13.9731000              0.0196530        
 13      7.8257100             -0.0111480        
 14      4.2863200             -0.0686400        
 15      2.2903400             -0.0915680        
 16      1.1934200             -0.0936840        
 17      0.5937650              0.0390660        
 18      0.2244380              0.3402200        
 19      0.0890540              0.5267450        
P   19
  1 110294.0000000              0.0000040        
  2  26939.1000000              0.0000100        
  3   8550.7100000              0.0000400        
  4   3246.1900000              0.0001260        
  5   1388.4600000              0.0004320        
  6    642.4740000              0.0012550        
  7    313.5700000              0.0037740        
  8    159.1610000              0.0091680        
  9     83.4414000              0.0216050        
 10     45.0196000              0.0355600        
 11     24.8894000              0.0552330        
 12     13.9731000              0.0354750        
 13      7.8257100             -0.0139680        
 14      4.2863200             -0.1677020        
 15      2.2903400             -0.1792800        
 16      1.1934200             -0.1598730        
 17      0.5937650              0.2578420        
 18      0.2244380              0.6467550        
 19      0.0890540              0.2746030        
P   19
  1 110294.0000000              0.0000070        
  2  26939.1000000              0.0000200        
  3   8550.7100000              0.0000790        
  4   3246.1900000              0.0002440        
  5   1388.4600000              0.0008600        
  6    642.4740000              0.0024180        
  7    313.5700000              0.0075320        
  8    159.1610000              0.0176530        
  9     83.4414000              0.0433520        
 10     45.0196000              0.0676910        
 11     24.8894000              0.1152020        
 12     13.9731000              0.0737700        
 13      7.8257100             -0.0230050        
 14      4.2863200             -0.5121360        
 15      2.2903400             -0.3816750        
 16      1.1934200              0.2588690        
 17      0.5937650              1.0576180        
 18      0.2244380             -0.3088970        
 19      0.0890540             -0.6050570        
P   19
  1 110294.0000000              0.0000090        
  2  26939.1000000              0.0000260        
  3   8550.7100000              0.0000900        
  4   3246.1900000              0.0003330        
  5   1388.4600000              0.0009350        
  6    642.4740000              0.0033830        
  7    313.5700000              0.0080790        
  8    159.1610000              0.0250980        
  9     83.4414000              0.0451110        
 10     45.0196000              0.1032270        
 11     24.8894000              0.1026140        
 12     13.9731000              0.2345540        
 13      7.8257100             -0.3024320        
 14      4.2863200             -0.8409990        
 15      2.2903400             -0.1611940        
 16      1.1934200              2.0920550        
 17      0.5937650             -1.1789640        
 18      0.2244380             -0.7973400        
 19      0.0890540              1.0105300        
P   19
  1 110294.0000000              0.0000120        
  2  26939.1000000              0.0000370        
  3   8550.7100000              0.0001290        
  4   3246.1900000              0.0004600        
  5   1388.4600000              0.0013520        
  6    642.4740000              0.0046720        
  7    313.5700000              0.0117990        
  8    159.1610000              0.0349680        
  9     83.4414000              0.0673370        
 10     45.0196000              0.1440250        
 11     24.8894000              0.1712510        
 12     13.9731000              0.4656640        
 13      7.8257100             -1.3932960        
 14      4.2863200             -0.8568460        
 15      2.2903400              3.0067100        
 16      1.1934200             -1.3521260        
 17      0.5937650             -1.1255820        
 18      0.2244380              1.8070530        
 19      0.0890540             -1.0605300        
P   1
  1      0.0351590              1.0000000        
D   11
  1    772.5680000              0.0001330        
  2    226.9250000              0.0012050        
  3     87.1443000              0.0067640        
  4     38.2132000              0.0258160        
  5     17.9612000              0.0729480        
  6      8.8561500              0.1564260        
  7      4.4634420              0.2437200        
  8      2.2373760              0.2867800        
  9      1.0986540              0.2689430        
 10      0.5225900              0.1994720        
 11      0.2368530              0.1028820        
D   11
  1    772.5680000             -0.0001650        
  2    226.9250000             -0.0014980        
  3     87.1443000             -0.0084440        
  4     38.2132000             -0.0324170        
  5     17.9612000             -0.0938520        
  6      8.8561500             -0.2065660        
  7      4.4634420             -0.2911760        
  8      2.2373760             -0.1807960        
  9      1.0986540              0.1358870        
 10      0.5225900              0.3842560        
 11      0.2368530              0.3645460        
D   11
  1    772.5680000              0.0001970        
  2    226.9250000              0.0018220        
  3     87.1443000              0.0102100        
  4     38.2132000              0.0398450        
  5     17.9612000              0.1178100        
  6      8.8561500              0.2756010        
  7      4.4634420              0.2897810        
  8      2.2373760             -0.1939950        
  9      1.0986540             -0.5830370        
 10      0.5225900             -0.1696990        
 11      0.2368530              0.5171400        
D   11
  1    772.5680000             -0.0002760        
  2    226.9250000             -0.0027780        
  3     87.1443000             -0.0146190        
  4     38.2132000             -0.0611040        
  5     17.9612000             -0.1818600        
  6      8.8561500             -0.4875970        
  7      4.4634420             -0.0267970        
  8      2.2373760              0.9955180        
  9      1.0986540             -0.0675450        
 10      0.5225900             -0.9273900        
 11      0.2368530              0.2357130        
D   11
  1    772.5680000              0.0003980        
  2    226.9250000              0.0033780        
  3     87.1443000              0.0206020        
  4     38.2132000              0.0767260        
  5     17.9612000              0.3059720        
  6      8.8561500              0.6264760        
  7      4.4634420             -1.1729970        
  8      2.2373760             -0.3053710        
  9      1.0986540              1.6280130        
 10      0.5225900             -0.9952610        
 11      0.2368530             -0.4062770        
D   1
  1      0.0988750              1.0000000        
F   1
  1     10.8703000              1.0000000        
F   1
  1      3.8812000              1.0000000        
F   1
  1      1.3858000              1.0000000        
F   1
  1      0.4948000              1.0000000        
G   1
  1      8.7831000              1.0000000        
G   1
  1      3.0907000              1.0000000        
G   1
  1      1.0876000              1.0000000        
H   1
  1      6.4748000              1.0000000        
H   1
  1      2.0678000              1.0000000        
I   1
  1      4.8998000              1.0000000        


name: cc-pV5Z-DK
description: V5Z4P Douglas-Kroll Valence Quintuple Zeta + Polarization
elt: Zn
data:
ZINC
S   27
  1      1.87413E+08            1.32955E-05      
  2      3.35127E+07            3.167949E-05     
  3      7.50475E+06            8.906429E-05     
  4      2.01787E+06            0.0002066572     
  5 628578.0000000              0.0004548837     
  6 220163.0000000              0.0009443108     
  7  84595.2000000              0.00192281       
  8  34955.5000000              0.003891104      
  9  15290.3000000              0.007964529      
 10   6994.9300000              0.01652745       
 11   3316.5900000              0.03446738       
 12   1619.2400000              0.07020339       
 13    810.3430000              0.1334825        
 14    414.3930000              0.2218817        
 15    216.0580000              0.2905487        
 16    114.6350000              0.2514154        
 17     61.7623000              0.1104322        
 18     33.6924000              0.01654259       
 19     18.5315000              0.001175604      
 20     10.2144000              4.394482E-06     
 21      5.5942800              5.086233E-05     
 22      3.0096800             -8.735267E-05     
 23      1.5668400              1.185909E-05     
 24      0.7814370             -1.239493E-05     
 25      0.2581180              4.864255E-06     
 26      0.1385560             -3.929613E-06     
 27      0.0661710              1.707123E-06     
S   27
  1      1.87413E+08           -4.189355E-06     
  2      3.35127E+07           -9.983841E-06     
  3      7.50475E+06           -2.807705E-05     
  4      2.01787E+06           -6.51837E-05      
  5 628578.0000000             -0.0001436122     
  6 220163.0000000             -0.0002985641     
  7  84595.2000000             -0.0006093739     
  8  34955.5000000             -0.001237597      
  9  15290.3000000             -0.002548436      
 10   6994.9300000             -0.00534001       
 11   3316.5900000             -0.01133271       
 12   1619.2400000             -0.02381435       
 13    810.3430000             -0.04800837       
 14    414.3930000             -0.0888337        
 15    216.0580000             -0.1410912        
 16    114.6350000             -0.1625539        
 17     61.7623000             -0.06570208       
 18     33.6924000              0.2026356        
 19     18.5315000              0.4792005        
 20     10.2144000              0.3835192        
 21      5.5942800              0.1036154        
 22      3.0096800              0.00913744       
 23      1.5668400              0.001425789      
 24      0.7814370              0.0003278608     
 25      0.2581180              7.459593E-06     
 26      0.1385560              8.4389E-06       
 27      0.0661710             -4.561934E-06     
S   27
  1      1.87413E+08            1.587541E-06     
  2      3.35127E+07            3.783451E-06     
  3      7.50475E+06            1.064027E-05     
  4      2.01787E+06            2.470467E-05     
  5 628578.0000000              5.443301E-05     
  6 220163.0000000              0.0001131937     
  7  84595.2000000              0.0002310621     
  8  34955.5000000              0.0004696011     
  9  15290.3000000              0.0009673158     
 10   6994.9300000              0.002030553      
 11   3316.5900000              0.004315288      
 12   1619.2400000              0.009112518      
 13    810.3430000              0.01848399       
 14    414.3930000              0.03473297       
 15    216.0580000              0.05649734       
 16    114.6350000              0.06818806       
 17     61.7623000              0.02848286       
 18     33.6924000             -0.1040963        
 19     18.5315000             -0.3255060        
 20     10.2144000             -0.3639222        
 21      5.5942800              0.0148837        
 22      3.0096800              0.4842177        
 23      1.5668400              0.5547911        
 24      0.7814370              0.1974334        
 25      0.2581180              0.008659206      
 26      0.1385560             -0.002571016      
 27      0.0661710              0.0007635916     
S   27
  1      1.87413E+08           -3.216638E-07     
  2      3.35127E+07           -7.665877E-07     
  3      7.50475E+06           -2.155931E-06     
  4      2.01787E+06           -5.00558E-06      
  5 628578.0000000             -1.102973E-05     
  6 220163.0000000             -2.293461E-05     
  7  84595.2000000             -4.682742E-05     
  8  34955.5000000             -9.514057E-05     
  9  15290.3000000             -0.0001961162     
 10   6994.9300000             -0.0004113547     
 11   3316.5900000             -0.000875603      
 12   1619.2400000             -0.001846674      
 13    810.3430000             -0.003757805      
 14    414.3930000             -0.007052919      
 15    216.0580000             -0.01155813       
 16    114.6350000             -0.01392747       
 17     61.7623000             -0.006029029      
 18     33.6924000              0.02223314       
 19     18.5315000              0.0707465        
 20     10.2144000              0.08410092       
 21      5.5942800             -0.009538366      
 22      3.0096800             -0.1293246        
 23      1.5668400             -0.2048438        
 24      0.7814370             -0.1509100        
 25      0.2581180              0.1434650        
 26      0.1385560              0.4156941        
 27      0.0661710              0.4761157        
S   27
  1      1.87413E+08            8.970167E-07     
  2      3.35127E+07            2.136911E-06     
  3      7.50475E+06            6.014076E-06     
  4      2.01787E+06            1.394519E-05     
  5 628578.0000000              3.080642E-05     
  6 220163.0000000              6.374807E-05     
  7  84595.2000000              0.0001313128     
  8  34955.5000000              0.0002628654     
  9  15290.3000000              0.0005544613     
 10   6994.9300000              0.001125645      
 11   3316.5900000              0.002501648      
 12   1619.2400000              0.005000885      
 13    810.3430000              0.01087524       
 14    414.3930000              0.01880912       
 15    216.0580000              0.03452653       
 16    114.6350000              0.03443579       
 17     61.7623000              0.02738852       
 18     33.6924000             -0.08427969       
 19     18.5315000             -0.1705452        
 20     10.2144000             -0.3495087        
 21      5.5942800              0.2018431        
 22      3.0096800              0.4776662        
 23      1.5668400              0.8519198        
 24      0.7814370             -0.8356815        
 25      0.2581180             -1.4250480        
 26      0.1385560              0.5713802        
 27      0.0661710              0.5322771        
S   27
  1      1.87413E+08           -1.240683E-06     
  2      3.35127E+07           -2.956355E-06     
  3      7.50475E+06           -8.316677E-06     
  4      2.01787E+06           -1.930012E-05     
  5 628578.0000000             -4.256985E-05     
  6 220163.0000000             -8.835662E-05     
  7  84595.2000000             -0.000181025      
  8  34955.5000000             -0.0003657439     
  9  15290.3000000             -0.0007606877     
 10   6994.9300000             -0.001576167      
 11   3316.5900000             -0.003412004      
 12   1619.2400000             -0.00705628       
 13    810.3430000             -0.01474439       
 14    414.3930000             -0.02690687       
 15    216.0580000             -0.04624064       
 16    114.6350000             -0.05234725       
 17     61.7623000             -0.02986905       
 18     33.6924000              0.09875184       
 19     18.5315000              0.2937935        
 20     10.2144000              0.5744894        
 21      5.5942800             -0.4751036        
 22      3.0096800             -1.5175250        
 23      1.5668400              0.09945024       
 24      0.7814370              2.4779920        
 25      0.2581180             -1.6658000        
 26      0.1385560             -0.7478743        
 27      0.0661710              0.9641101        
S   27
  1      1.87413E+08            1.626315E-06     
  2      3.35127E+07            3.878098E-06     
  3      7.50475E+06            1.089554E-05     
  4      2.01787E+06            2.534641E-05     
  5 628578.0000000              5.564508E-05     
  6 220163.0000000              0.0001165369     
  7  84595.2000000              0.0002349487     
  8  34955.5000000              0.0004877277     
  9  15290.3000000              0.0009730738     
 10   6994.9300000              0.002138865      
 11   3316.5900000              0.004287427      
 12   1619.2400000              0.009764826      
 13    810.3430000              0.01818025       
 14    414.3930000              0.03845584       
 15    216.0580000              0.05456963       
 16    114.6350000              0.08531694       
 17     61.7623000              0.00837324       
 18     33.6924000             -0.06089183       
 19     18.5315000             -0.5785153        
 20     10.2144000             -1.1032020        
 21      5.5942800              2.2840940        
 22      3.0096800              2.2290710        
 23      1.5668400             -6.1223910        
 24      0.7814370              3.5202910        
 25      0.2581180              1.7479200        
 26      0.1385560             -3.8325180        
 27      0.0661710              1.7443180        
S   27
  1      1.87413E+08            1.677404E-06     
  2      3.35127E+07            3.984774E-06     
  3      7.50475E+06            1.126999E-05     
  4      2.01787E+06            2.590042E-05     
  5 628578.0000000              5.822197E-05     
  6 220163.0000000              0.0001165111     
  7  84595.2000000              0.0002549601     
  8  34955.5000000              0.0004596676     
  9  15290.3000000              0.001135424      
 10   6994.9300000              0.001824378      
 11   3316.5900000              0.005462728      
 12   1619.2400000              0.007396035      
 13    810.3430000              0.02556833       
 14    414.3930000              0.0238386        
 15    216.0580000              0.09502993       
 16    114.6350000              0.006923243      
 17     61.7623000              0.1880996        
 18     33.6924000             -0.4031428        
 19     18.5315000             -0.2440123        
 20     10.2144000             -2.6311870        
 21      5.5942800              8.5665470        
 22      3.0096800             -8.5502990        
 23      1.5668400              1.5561710        
 24      0.7814370              3.8758550        
 25      0.2581180             -7.7835480        
 26      0.1385560              7.9747250        
 27      0.0661710             -2.8277670        
S   1
  1      0.0309860              1.0000000        
P   19
  1 110349.0000000              0.0000290        
  2  26971.3000000              0.0000860        
  3   8560.0700000              0.0003190        
  4   3248.8000000              0.0010420        
  5   1389.4100000              0.0033820        
  6    643.0430000              0.0102180        
  7    314.0050000              0.0285420        
  8    159.4890000              0.0709800        
  9     83.6662000              0.1489460        
 10     45.1574000              0.2476940        
 11     24.9630000              0.3081340        
 12     14.0043000              0.2485630        
 13      7.8326700              0.1053980        
 14      4.2841000              0.0180980        
 15      2.2890100              0.0018050        
 16      1.1943600              0.0005080        
 17      0.5942580              0.0001340        
 18      0.2272730              0.0000180        
 19      0.0901660             -0.0000020        
P   19
  1 110349.0000000             -0.0000110        
  2  26971.3000000             -0.0000320        
  3   8560.0700000             -0.0001200        
  4   3248.8000000             -0.0003920        
  5   1389.4100000             -0.0012760        
  6    643.0430000             -0.0038800        
  7    314.0050000             -0.0109680        
  8    159.4890000             -0.0278670        
  9     83.6662000             -0.0604080        
 10     45.1574000             -0.1045170        
 11     24.9630000             -0.1367160        
 12     14.0043000             -0.0949910        
 13      7.8326700              0.0828040        
 14      4.2841000              0.3099380        
 15      2.2890100              0.4014410        
 16      1.1943600              0.2798230        
 17      0.5942580              0.0844380        
 18      0.2272730              0.0057710        
 19      0.0901660             -0.0000180        
P   19
  1 110349.0000000              0.0000020        
  2  26971.3000000              0.0000060        
  3   8560.0700000              0.0000220        
  4   3248.8000000              0.0000720        
  5   1389.4100000              0.0002370        
  6    643.0430000              0.0007110        
  7    314.0050000              0.0020410        
  8    159.4890000              0.0051170        
  9     83.6662000              0.0113250        
 10     45.1574000              0.0192410        
 11     24.9630000              0.0262580        
 12     14.0043000              0.0163940        
 13      7.8326700             -0.0177270        
 14      4.2841000             -0.0728180        
 15      2.2890100             -0.0887520        
 16      1.1943600             -0.0839300        
 17      0.5942580              0.0543040        
 18      0.2272730              0.3485410        
 19      0.0901660              0.5191090        
P   19
  1 110349.0000000              0.0000040        
  2  26971.3000000              0.0000100        
  3   8560.0700000              0.0000400        
  4   3248.8000000              0.0001270        
  5   1389.4100000              0.0004290        
  6    643.0430000              0.0012540        
  7    314.0050000              0.0037040        
  8    159.4890000              0.0090070        
  9     83.6662000              0.0206180        
 10     45.1574000              0.0335950        
 11     24.9630000              0.0492430        
 12     14.0043000              0.0268980        
 13      7.8326700             -0.0259740        
 14      4.2841000             -0.1537760        
 15      2.2890100             -0.1514190        
 16      1.1943600             -0.1407890        
 17      0.5942580              0.2265360        
 18      0.2272730              0.6573710        
 19      0.0901660              0.2855030        
P   19
  1 110349.0000000             -0.0000080        
  2  26971.3000000             -0.0000230        
  3   8560.0700000             -0.0000890        
  4   3248.8000000             -0.0002780        
  5   1389.4100000             -0.0009650        
  6    643.0430000             -0.0027350        
  7    314.0050000             -0.0083440        
  8    159.4890000             -0.0196410        
  9     83.6662000             -0.0466850        
 10     45.1574000             -0.0724680        
 11     24.9630000             -0.1171690        
 12     14.0043000             -0.0661700        
 13      7.8326700              0.0672210        
 14      4.2841000              0.5455140        
 15      2.2890100              0.2986520        
 16      1.1943600             -0.3006940        
 17      0.5942580             -1.0330560        
 18      0.2272730              0.3363690        
 19      0.0901660              0.5663970        
P   19
  1 110349.0000000              0.0000100        
  2  26971.3000000              0.0000290        
  3   8560.0700000              0.0001020        
  4   3248.8000000              0.0003700        
  5   1389.4100000              0.0010620        
  6    643.0430000              0.0037250        
  7    314.0050000              0.0090710        
  8    159.4890000              0.0271760        
  9     83.6662000              0.0492880        
 10     45.1574000              0.1068350        
 11     24.9630000              0.1107210        
 12     14.0043000              0.2171670        
 13      7.8326700             -0.3921410        
 14      4.2841000             -0.8336390        
 15      2.2890100              0.0643050        
 16      1.1943600              1.9844580        
 17      0.5942580             -1.3037680        
 18      0.2272730             -0.6698580        
 19      0.0901660              0.9791770        
P   19
  1 110349.0000000              0.0000140        
  2  26971.3000000              0.0000380        
  3   8560.0700000              0.0001520        
  4   3248.8000000              0.0004590        
  5   1389.4100000              0.0016600        
  6    643.0430000              0.0045180        
  7    314.0050000              0.0145030        
  8    159.4890000              0.0328420        
  9     83.6662000              0.0828600        
 10     45.1574000              0.1181970        
 11     24.9630000              0.2543090        
 12     14.0043000              0.2760680        
 13      7.8326700             -1.4206840        
 14      4.2841000             -0.5341910        
 15      2.2890100              2.8985470        
 16      1.1943600             -1.5851120        
 17      0.5942580             -0.9388230        
 18      0.2272730              1.8070550        
 19      0.0901660             -1.1246340        
P   1
  1      0.0356510              1.0000000        
D   11
  1    926.9627000              0.0001140        
  2    270.1065000              0.0010450        
  3    102.9159000              0.0060400        
  4     44.8868000              0.0238440        
  5     21.0709200              0.0688060        
  6     10.4233800              0.1498840        
  7      5.3068920              0.2374320        
  8      2.7032700              0.2844710        
  9      1.3536570              0.2718060        
 10      0.6588680              0.2029220        
 11      0.3075040              0.1027770        
D   11
  1    926.9627000              0.0001590        
  2    270.1065000              0.0014620        
  3    102.9159000              0.0084850        
  4     44.8868000              0.0337380        
  5     21.0709200              0.0998900        
  6     10.4233800              0.2254390        
  7      5.3068920              0.3226860        
  8      2.7032700              0.1867430        
  9      1.3536570             -0.1836600        
 10      0.6588680             -0.4166810        
 11      0.3075040             -0.3112890        
D   11
  1    926.9627000              0.0001770        
  2    270.1065000              0.0016750        
  3    102.9159000              0.0096030        
  4     44.8868000              0.0389100        
  5     21.0709200              0.1173870        
  6     10.4233800              0.2969250        
  7      5.3068920              0.2963580        
  8      2.7032700             -0.3097160        
  9      1.3536570             -0.5814690        
 10      0.6588680             -0.0557460        
 11      0.3075040              0.5580510        
D   11
  1    926.9627000             -0.0002180        
  2    270.1065000             -0.0022710        
  3    102.9159000             -0.0120740        
  4     44.8868000             -0.0531800        
  5     21.0709200             -0.1581770        
  6     10.4233800             -0.4540890        
  7      5.3068920             -0.0494540        
  8      2.7032700              0.9554020        
  9      1.3536570             -0.0124550        
 10      0.6588680             -1.0231310        
 11      0.3075040              0.2646770        
D   11
  1    926.9627000              0.0003280        
  2    270.1065000              0.0028660        
  3    102.9159000              0.0177090        
  4     44.8868000              0.0688210        
  5     21.0709200              0.2715290        
  6     10.4233800              0.6502930        
  7      5.3068920             -1.0108450        
  8      2.7032700             -0.5947150        
  9      1.3536570              1.7472200        
 10      0.6588680             -0.8204530        
 11      0.3075040             -0.6823180        
D   1
  1      0.1332210              1.0000000        
F   1
  1     12.0835000              1.0000000        
F   1
  1      4.3590000              1.0000000        
F   1
  1      1.5725000              1.0000000        
F   1
  1      0.5673000              1.0000000        
G   1
  1      9.8966000              1.0000000        
G   1
  1      3.5206000              1.0000000        
G   1
  1      1.2524000              1.0000000        
H   1
  1      7.4053000              1.0000000        
H   1
  1      2.3903000              1.0000000        
I   1
  1      5.6334000              1.0000000        


name: cc-pV5Z-DK
description: V5Z4P Douglas-Kroll Valence Quintuple Zeta + Polarization
elt: Ga
data:
GALLIUM
S   22
  1 108615220.0000000           0.0000231        
  2 16264540.0000000            0.0000631        
  3 3700111.6000000             0.0001592        
  4 1047169.1000000             0.0003599        
  5 341067.5700000              0.0007795        
  6 122771.5400000              0.0016426        
  7  47659.5780000              0.0034530        
  8  19633.3540000              0.0073299        
  9   8488.7347000              0.0158131        
 10   3823.1381000              0.0342941        
 11   1784.4755000              0.0724411        
 12    860.0530500              0.1413935        
 13    426.6986700              0.2367685        
 14    217.2616100              0.3029742        
 15    112.9698700              0.2442918        
 16     59.4494410              0.0913705        
 17     30.7822560              0.0092063        
 18     16.4232120              0.0005648        
 19      8.7578890             -0.0000608        
 20      4.4096290              0.0000162        
 21      2.2494490             -0.0000646        
 22      1.1261150              0.0000178        
S   22
  1 108615220.0000000          -0.0000073        
  2 16264540.0000000           -0.0000200        
  3 3700111.6000000            -0.0000505        
  4 1047169.1000000            -0.0001142        
  5 341067.5700000             -0.0002476        
  6 122771.5400000             -0.0005228        
  7  47659.5780000             -0.0011030        
  8  19633.3540000             -0.0023539        
  9   8488.7347000             -0.0051295        
 10   3823.1381000             -0.0113108        
 11   1784.4755000             -0.0246913        
 12    860.0530500             -0.0511711        
 13    426.6986700             -0.0962825        
 14    217.2616100             -0.1512923        
 15    112.9698700             -0.1655564        
 16     59.4494410             -0.0276421        
 17     30.7822560              0.3133547        
 18     16.4232120              0.5221317        
 19      8.7578890              0.2850891        
 20      4.4096290              0.0411434        
 21      2.2494490              0.0013215        
 22      1.1261150              0.0010720        
S   22
  1 108615220.0000000           0.0000028        
  2 16264540.0000000            0.0000077        
  3 3700111.6000000             0.0000193        
  4 1047169.1000000             0.0000437        
  5 341067.5700000              0.0000948        
  6 122771.5400000              0.0002002        
  7  47659.5780000              0.0004226        
  8  19633.3540000              0.0009023        
  9   8488.7347000              0.0019695        
 10   3823.1381000              0.0043497        
 11   1784.4755000              0.0095414        
 12    860.0530500              0.0199084        
 13    426.6986700              0.0380768        
 14    217.2616100              0.0614467        
 15    112.9698700              0.0706763        
 16     59.4494410              0.0115616        
 17     30.7822560             -0.1733549        
 18     16.4232120             -0.4049064        
 19      8.7578890             -0.2726300        
 20      4.4096290              0.2962399        
 21      2.2494490              0.6352027        
 22      1.1261150              0.3506013        
S   22
  1 108615220.0000000          -0.0000007        
  2 16264540.0000000           -0.0000018        
  3 3700111.6000000            -0.0000045        
  4 1047169.1000000            -0.0000103        
  5 341067.5700000             -0.0000222        
  6 122771.5400000             -0.0000470        
  7  47659.5780000             -0.0000991        
  8  19633.3540000             -0.0002117        
  9   8488.7347000             -0.0004621        
 10   3823.1381000             -0.0010211        
 11   1784.4755000             -0.0022402        
 12    860.0530500             -0.0046815        
 13    426.6986700             -0.0089661        
 14    217.2616100             -0.0145371        
 15    112.9698700             -0.0167995        
 16     59.4494410             -0.0028045        
 17     30.7822560              0.0428522        
 18     16.4232120              0.1046813        
 19      8.7578890              0.0722907        
 20      4.4096290             -0.0937847        
 21      2.2494490             -0.2286139        
 22      1.1261150             -0.2477888        
S   1
  1      0.5154860              1.0000000        
S   1
  1      0.2425780              1.0000000        
S   1
  1      0.1070860              1.0000000        
S   1
  1      0.0469880              1.0000000        
P   13
  1  32152.1900000              0.0001233        
  2   7609.3842000              0.0004846        
  3   2471.4744000              0.0020454        
  4    946.0636300              0.0077043        
  5    401.9471100              0.0259149        
  6    183.6468800              0.0740372        
  7     88.5332640              0.1709395        
  8     44.2703550              0.2972016        
  9     22.7230830              0.3463638        
 10     11.8231410              0.2136652        
 11      6.0421350              0.0507027        
 12      3.0317540              0.0033117        
 13      1.4933660              0.0009711        
P   13
  1  32152.1900000             -0.0000469        
  2   7609.3842000             -0.0001846        
  3   2471.4744000             -0.0007822        
  4    946.0636300             -0.0029589        
  5    401.9471100             -0.0100789        
  6    183.6468800             -0.0294130        
  7     88.5332640             -0.0705454        
  8     44.2703550             -0.1282704        
  9     22.7230830             -0.1571144        
 10     11.8231410             -0.0374443        
 11      6.0421350              0.2490420        
 12      3.0317540              0.4464620        
 13      1.4933660              0.3482770        
P   13
  1  32152.1900000              0.0000076        
  2   7609.3842000              0.0000302        
  3   2471.4744000              0.0001271        
  4    946.0636300              0.0004855        
  5    401.9471100              0.0016386        
  6    183.6468800              0.0048479        
  7     88.5332640              0.0115168        
  8     44.2703550              0.0214231        
  9     22.7230830              0.0256065        
 10     11.8231410              0.0057161        
 11      6.0421350             -0.0510704        
 12      3.0317540             -0.0842142        
 13      1.4933660             -0.0893453        
P   1
  1      0.7097270              1.0000000        
P   1
  1      0.2485930              1.0000000        
P   1
  1      0.0943950              1.0000000        
P   1
  1      0.0358870              1.0000000        
D   9
  1   1040.5046000              0.0001094        
  2    314.5971400              0.0009234        
  3    122.7876000              0.0051460        
  4     54.7603690              0.0200758        
  5     26.2989440              0.0581733        
  6     13.2634450              0.1310141        
  7      6.8850650              0.2206651        
  8      3.5795250              0.2813957        
  9      1.8315640              0.2831056        
D   1
  1      0.9129090              1.0000000        
D   1
  1      0.4353400              1.0000000        
D   1
  1      0.1885180              1.0000000        
D   1
  1      0.0758000              1.0000000        
F   1
  1      0.1340000              1.0000000        
F   1
  1      0.2826000              1.0000000        
F   1
  1      0.5960000              1.0000000        
G   1
  1      0.2750000              1.0000000        
G   1
  1      0.6146000              1.0000000        
H   1
  1      0.4986000              1.0000000        


name: cc-pV5Z-DK
description: V5Z4P Douglas-Kroll Valence Quintuple Zeta + Polarization
elt: Ge
data:
GERMANIUM
S   22
  1 122001190.0000000           0.0000234        
  2 18257470.0000000            0.0000637        
  3 4150821.5000000             0.0001604        
  4 1174101.8000000             0.0003614        
  5 382309.1500000              0.0007793        
  6 137607.9600000              0.0016324        
  7  53419.2420000              0.0034056        
  8  22005.7560000              0.0071640        
  9   9513.8479000              0.0153086        
 10   4284.1756000              0.0329397        
 11   1999.1664000              0.0693319        
 12    963.2471600              0.1356730        
 13    477.8050000              0.2295231        
 14    243.3158900              0.3002722        
 15    126.6399900              0.2524942        
 16     66.7835790              0.1021954        
 17     34.4160840              0.0118279        
 18     18.3728140              0.0003764        
 19      9.8054610              0.0000694        
 20      4.9694030             -0.0000466        
 21      2.5486230             -0.0000306        
 22      1.2845940             -0.0000013        
S   22
  1 122001190.0000000          -0.0000075        
  2 18257470.0000000           -0.0000203        
  3 4150821.5000000            -0.0000511        
  4 1174101.8000000            -0.0001152        
  5 382309.1500000             -0.0002488        
  6 137607.9600000             -0.0005221        
  7  53419.2420000             -0.0010932        
  8  22005.7560000             -0.0023117        
  9   9513.8479000             -0.0049894        
 10   4284.1756000             -0.0109091        
 11   1999.1664000             -0.0237051        
 12    963.2471600             -0.0491168        
 13    477.8050000             -0.0929158        
 14    243.3158900             -0.1479085        
 15    126.6399900             -0.1680712        
 16     66.7835790             -0.0441044        
 17     34.4160840              0.2897230        
 18     18.3728140              0.5232854        
 19      9.8054610              0.3068078        
 20      4.9694030              0.0485999        
 21      2.5486230              0.0014764        
 22      1.2845940              0.0011943        
S   22
  1 122001190.0000000           0.0000029        
  2 18257470.0000000            0.0000078        
  3 4150821.5000000             0.0000198        
  4 1174101.8000000             0.0000446        
  5 382309.1500000              0.0000962        
  6 137607.9600000              0.0002020        
  7  53419.2420000              0.0004233        
  8  22005.7560000              0.0008954        
  9   9513.8479000              0.0019357        
 10   4284.1756000              0.0042390        
 11   1999.1664000              0.0092544        
 12    963.2471600              0.0193014        
 13    477.8050000              0.0370939        
 14    243.3158900              0.0605816        
 15    126.6399900              0.0722704        
 16     66.7835790              0.0192727        
 17     34.4160840             -0.1604252        
 18     18.3728140             -0.4014140        
 19      9.8054610             -0.2998394        
 20      4.9694030              0.2613373        
 21      2.5486230              0.6433093        
 22      1.2845940              0.3750738        
S   22
  1 122001190.0000000          -0.0000007        
  2 18257470.0000000           -0.0000020        
  3 4150821.5000000            -0.0000051        
  4 1174101.8000000            -0.0000115        
  5 382309.1500000             -0.0000248        
  6 137607.9600000             -0.0000521        
  7  53419.2420000             -0.0001092        
  8  22005.7560000             -0.0002310        
  9   9513.8479000             -0.0004997        
 10   4284.1756000             -0.0010942        
 11   1999.1664000             -0.0023908        
 12    963.2471600             -0.0049903        
 13    477.8050000             -0.0096123        
 14    243.3158900             -0.0157532        
 15    126.6399900             -0.0189246        
 16     66.7835790             -0.0050666        
 17     34.4160840              0.0435229        
 18     18.3728140              0.1144925        
 19      9.8054610              0.0877122        
 20      4.9694030             -0.0909144        
 21      2.5486230             -0.2580909        
 22      1.2845940             -0.2896853        
S   1
  1      0.5833530              1.0000000        
S   1
  1      0.2934390              1.0000000        
S   1
  1      0.1326720              1.0000000        
S   1
  1      0.0592390              1.0000000        
P   13
  1  32314.9700000              0.0001389        
  2   7648.2002000              0.0005443        
  3   2484.2114000              0.0022889        
  4    951.0030500              0.0085785        
  5    404.0483300              0.0286732        
  6    184.6035400              0.0810735        
  7     88.9641280              0.1838612        
  8     44.4477420              0.3105207        
  9     22.7990750              0.3423626        
 10     11.8359280              0.1923093        
 11      6.0112940              0.0397221        
 12      2.9957840              0.0023223        
 13      1.4695700              0.0007921        
P   13
  1  32314.9700000             -0.0000537        
  2   7648.2002000             -0.0002106        
  3   2484.2114000             -0.0008889        
  4    951.0030500             -0.0033480        
  5    404.0483300             -0.0113400        
  6    184.6035400             -0.0328105        
  7     88.9641280             -0.0774000        
  8     44.4477420             -0.1370873        
  9     22.7990750             -0.1568838        
 10     11.8359280             -0.0091376        
 11      6.0112940              0.2917890        
 12      2.9957840              0.4620756        
 13      1.4695700              0.3114065        
P   13
  1  32314.9700000              0.0000106        
  2   7648.2002000              0.0000415        
  3   2484.2114000              0.0001749        
  4    951.0030500              0.0006614        
  5    404.0483300              0.0022347        
  6    184.6035400              0.0065097        
  7     88.9641280              0.0153464        
  8     44.4477420              0.0275238        
  9     22.7990750              0.0312643        
 10     11.8359280             -0.0004105        
 11      6.0112940             -0.0708824        
 12      2.9957840             -0.1119128        
 13      1.4695700             -0.0972006        
P   1
  1      0.6906810              1.0000000        
P   1
  1      0.2861600              1.0000000        
P   1
  1      0.1177420              1.0000000        
P   1
  1      0.0473850              1.0000000        
D   9
  1   1226.7982000              0.0000964        
  2    371.2322300              0.0008048        
  3    144.8909900              0.0045239        
  4     64.6041300              0.0180858        
  5     31.0397370              0.0538646        
  6     15.6438700              0.1251553        
  7      8.1258220              0.2179962        
  8      4.2397620              0.2849109        
  9      2.1863860              0.2894973        
D   1
  1      1.1038710              1.0000000        
D   1
  1      0.5338110              1.0000000        
D   1
  1      0.2313550              1.0000000        
D   1
  1      0.0953000              1.0000000        
F   1
  1      0.1630000              1.0000000        
F   1
  1      0.3297000              1.0000000        
F   1
  1      0.6709000              1.0000000        
G   1
  1      0.3160000              1.0000000        
G   1
  1      0.7034000              1.0000000        
H   1
  1      0.5815000              1.0000000        


name: cc-pV5Z-DK
description: V5Z4P Douglas-Kroll Valence Quintuple Zeta + Polarization
elt: As
data:
ARSENIC
S   22
  1 137507530.0000000           0.0000236        
  2 20515052.0000000            0.0000643        
  3 4648716.4000000             0.0001618        
  4 1311264.6000000             0.0003640        
  5 426185.8600000              0.0007821        
  6 153237.0600000              0.0016297        
  7  59459.4040000              0.0033759        
  8  24492.8120000              0.0070400        
  9  10590.2530000              0.0149037        
 10   4769.7841000              0.0318006        
 11   2226.3698000              0.0666091        
 12   1073.0862000              0.1304519        
 13    532.5005900              0.2225512        
 14    271.2975500              0.2970252        
 15    141.3119500              0.2596859        
 16     74.5844330              0.1128373        
 17     38.2983380              0.0146552        
 18     20.4691300              0.0002018        
 19     10.9395780              0.0001997        
 20      5.5903670             -0.0001078        
 21      2.8828590              0.0000007        
 22      1.4660860             -0.0000186        
S   22
  1 137507530.0000000          -0.0000075        
  2 20515052.0000000           -0.0000206        
  3 4648716.4000000            -0.0000518        
  4 1311264.6000000            -0.0001166        
  5 426185.8600000             -0.0002508        
  6 153237.0600000             -0.0005237        
  7  59459.4040000             -0.0010889        
  8  24492.8120000             -0.0022824        
  9  10590.2530000             -0.0048800        
 10   4769.7841000             -0.0105757        
 11   2226.3698000             -0.0228478        
 12   1073.0862000             -0.0472641        
 13    532.5005900             -0.0897598        
 14    271.2975500             -0.1445468        
 15    141.3119500             -0.1698197        
 16     74.5844330             -0.0587051        
 17     38.2983380              0.2667681        
 18     20.4691300              0.5219261        
 19     10.9395780              0.3274541        
 20      5.5903670              0.0569057        
 21      2.8828590              0.0018154        
 22      1.4660860              0.0012941        
S   22
  1 137507530.0000000           0.0000029        
  2 20515052.0000000            0.0000080        
  3 4648716.4000000             0.0000202        
  4 1311264.6000000             0.0000456        
  5 426185.8600000              0.0000981        
  6 153237.0600000              0.0002048        
  7  59459.4040000              0.0004260        
  8  24492.8120000              0.0008934        
  9  10590.2530000              0.0019131        
 10   4769.7841000              0.0041526        
 11   2226.3698000              0.0090119        
 12   1073.0862000              0.0187628        
 13    532.5005900              0.0361769        
 14    271.2975500              0.0597260        
 15    141.3119500              0.0735571        
 16     74.5844330              0.0262352        
 17     38.2983380             -0.1481184        
 18     20.4691300             -0.3966213        
 19     10.9395780             -0.3252621        
 20      5.5903670              0.2250877        
 21      2.8828590              0.6479381        
 22      1.4660860              0.4000706        
S   22
  1 137507530.0000000          -0.0000008        
  2 20515052.0000000           -0.0000022        
  3 4648716.4000000            -0.0000056        
  4 1311264.6000000            -0.0000126        
  5 426185.8600000             -0.0000271        
  6 153237.0600000             -0.0000567        
  7  59459.4040000             -0.0001179        
  8  24492.8120000             -0.0002473        
  9  10590.2530000             -0.0005298        
 10   4769.7841000             -0.0011498        
 11   2226.3698000             -0.0024980        
 12   1073.0862000             -0.0052024        
 13    532.5005900             -0.0100609        
 14    271.2975500             -0.0166507        
 15    141.3119500             -0.0206848        
 16     74.5844330             -0.0073700        
 17     38.2983380              0.0430277        
 18     20.4691300              0.1216427        
 19     10.9395780              0.1023577        
 20      5.5903670             -0.0838215        
 21      2.8828590             -0.2814191        
 22      1.4660860             -0.3268441        
S   1
  1      0.6748390              1.0000000        
S   1
  1      0.3463990              1.0000000        
S   1
  1      0.1592890              1.0000000        
S   1
  1      0.0721090              1.0000000        
P   13
  1  34166.1610000              0.0001474        
  2   8086.5608000              0.0005688        
  3   2626.5114000              0.0023679        
  4   1005.3950000              0.0088078        
  5    427.1273500              0.0293235        
  6    195.1511300              0.0826490        
  7     94.0543080              0.1867436        
  8     46.9998800              0.3134860        
  9     24.1174570              0.3410855        
 10     12.5199820              0.1873634        
 11      6.3573250              0.0374942        
 12      3.1680520              0.0021449        
 13      1.5534810              0.0007139        
P   13
  1  34166.1610000             -0.0000578        
  2   8086.5608000             -0.0002235        
  3   2626.5114000             -0.0009336        
  4   1005.3950000             -0.0034913        
  5    427.1273500             -0.0117793        
  6    195.1511300             -0.0339968        
  7     94.0543080             -0.0799302        
  8     46.9998800             -0.1409115        
  9     24.1174570             -0.1581998        
 10     12.5199820             -0.0012112        
 11      6.3573250              0.3060448        
 12      3.1680520              0.4703800        
 13      1.5534810              0.2972255        
P   13
  1  34166.1610000              0.0000129        
  2   8086.5608000              0.0000497        
  3   2626.5114000              0.0002077        
  4   1005.3950000              0.0007774        
  5    427.1273500              0.0026258        
  6    195.1511300              0.0076031        
  7     94.0543080              0.0179495        
  8     46.9998800              0.0318689        
  9     24.1174570              0.0358809        
 10     12.5199820             -0.0032986        
 11      6.3573250             -0.0836966        
 12      3.1680520             -0.1343469        
 13      1.5534810             -0.1019334        
P   1
  1      0.7103250              1.0000000        
P   1
  1      0.3209550              1.0000000        
P   1
  1      0.1393570              1.0000000        
P   1
  1      0.0584100              1.0000000        
D   9
  1   1424.4506000              0.0000869        
  2    431.0667600              0.0007176        
  3    168.1286400              0.0040629        
  4     74.8667240              0.0165952        
  5     35.9458550              0.0506419        
  6     18.0984740              0.1206366        
  7      9.4057800              0.2157021        
  8      4.9239040              0.2875496        
  9      2.5564930              0.2945713        
D   1
  1      1.3042330              1.0000000        
D   1
  1      0.6371180              1.0000000        
D   1
  1      0.2757950              1.0000000        
D   1
  1      0.1153000              1.0000000        
F   1
  1      0.1960000              1.0000000        
F   1
  1      0.3859000              1.0000000        
F   1
  1      0.7599000              1.0000000        
G   1
  1      0.3700000              1.0000000        
G   1
  1      0.8092000              1.0000000        
H   1
  1      0.6773000              1.0000000        


name: cc-pV5Z-DK
description: V5Z4P Douglas-Kroll Valence Quintuple Zeta + Polarization
elt: Se
data:
SELENIUM
S   22
  1 154432250.0000000           0.0000238        
  2 23129212.0000000            0.0000642        
  3 5261792.9000000             0.0001608        
  4 1488816.7000000             0.0003599        
  5 484656.5600000              0.0007700        
  6 174270.6300000              0.0015971        
  7  67529.0900000              0.0032915        
  8  27750.8370000              0.0068216        
  9  11964.2160000              0.0143466        
 10   5370.7148000              0.0304696        
 11   2497.3194000              0.0638123        
 12   1198.7679000              0.1256689        
 13    592.5802600              0.2168150        
 14    300.9770800              0.2948843        
 15    156.4602400              0.2662215        
 16     82.4760860              0.1221601        
 17     42.2708870              0.0172829        
 18     22.6302200              0.0000882        
 19     12.1223740              0.0003038        
 20      6.2491700             -0.0001580        
 21      3.2426780              0.0000276        
 22      1.6663620             -0.0000363        
S   22
  1 154432250.0000000          -0.0000076        
  2 23129212.0000000           -0.0000206        
  3 5261792.9000000            -0.0000517        
  4 1488816.7000000            -0.0001158        
  5 484656.5600000             -0.0002481        
  6 174270.6300000             -0.0005156        
  7  67529.0900000             -0.0010665        
  8  27750.8370000             -0.0022214        
  9  11964.2160000             -0.0047175        
 10   5370.7148000             -0.0101710        
 11   2497.3194000             -0.0219468        
 12   1198.7679000             -0.0455514        
 13    592.5802600             -0.0871307        
 14    300.9770800             -0.1420300        
 15    156.4602400             -0.1713880        
 16     82.4760860             -0.0703809        
 17     42.2708870              0.2472041        
 18     22.6302200              0.5185516        
 19     12.1223740              0.3447792        
 20      6.2491700              0.0652807        
 21      3.2426780              0.0022432        
 22      1.6663620              0.0014071        
S   22
  1 154432250.0000000           0.0000030        
  2 23129212.0000000            0.0000082        
  3 5261792.9000000             0.0000204        
  4 1488816.7000000             0.0000457        
  5 484656.5600000              0.0000980        
  6 174270.6300000              0.0002037        
  7  67529.0900000              0.0004215        
  8  27750.8370000              0.0008785        
  9  11964.2160000              0.0018684        
 10   5370.7148000              0.0040348        
 11   2497.3194000              0.0087438        
 12   1198.7679000              0.0182634        
 13    592.5802600              0.0354466        
 14    300.9770800              0.0592058        
 15    156.4602400              0.0748021        
 16     82.4760860              0.0319244        
 17     42.2708870             -0.1379462        
 18     22.6302200             -0.3918376        
 19     12.1223740             -0.3462000        
 20      6.2491700              0.1911702        
 21      3.2426780              0.6489613        
 22      1.6663620              0.4231169        
S   22
  1 154432250.0000000          -0.0000009        
  2 23129212.0000000           -0.0000024        
  3 5261792.9000000            -0.0000060        
  4 1488816.7000000            -0.0000134        
  5 484656.5600000             -0.0000288        
  6 174270.6300000             -0.0000598        
  7  67529.0900000             -0.0001237        
  8  27750.8370000             -0.0002578        
  9  11964.2160000             -0.0005487        
 10   5370.7148000             -0.0011846        
 11   2497.3194000             -0.0025704        
 12   1198.7679000             -0.0053697        
 13    592.5802600             -0.0104546        
 14    300.9770800             -0.0175019        
 15    156.4602400             -0.0223156        
 16     82.4760860             -0.0095115        
 17     42.2708870              0.0424737        
 18     22.6302200              0.1276467        
 19     12.1223740              0.1160296        
 20      6.2491700             -0.0756569        
 21      3.2426780             -0.3007076        
 22      1.6663620             -0.3624462        
S   1
  1      0.7872640              1.0000000        
S   1
  1      0.4029720              1.0000000        
S   1
  1      0.1870960              1.0000000        
S   1
  1      0.0847060              1.0000000        
P   13
  1  36511.3370000              0.0001541        
  2   8640.5510000              0.0005846        
  3   2805.6911000              0.0024065        
  4   1073.4961000              0.0088845        
  5    455.7747500              0.0295069        
  6    208.0943200              0.0831270        
  7    100.2311100              0.1878316        
  8     50.0735220              0.3148556        
  9     25.7002620              0.3406231        
 10     13.3467920              0.1852826        
 11      6.7870510              0.0366303        
 12      3.3916540              0.0020769        
 13      1.6703270              0.0006532        
P   13
  1  36511.3370000             -0.0000613        
  2   8640.5510000             -0.0002330        
  3   2805.6911000             -0.0009626        
  4   1073.4961000             -0.0035739        
  5    455.7747500             -0.0120276        
  6    208.0943200             -0.0347149        
  7    100.2311100             -0.0816307        
  8     50.0735220             -0.1438772        
  9     25.7002620             -0.1599216        
 10     13.3467920              0.0027723        
 11      6.7870510              0.3147682        
 12      3.3916540              0.4758672        
 13      1.6703270              0.2864374        
P   13
  1  36511.3370000              0.0000148        
  2   8640.5510000              0.0000562        
  3   2805.6911000              0.0002326        
  4   1073.4961000              0.0008628        
  5    455.7747500              0.0029132        
  6    208.0943200              0.0084177        
  7    100.2311100              0.0199365        
  8     50.0735220              0.0352749        
  9     25.7002620              0.0395827        
 10     13.3467920             -0.0054278        
 11      6.7870510             -0.0935215        
 12      3.3916540             -0.1532837        
 13      1.6703270             -0.1015910        
P   1
  1      0.7525990              1.0000000        
P   1
  1      0.3468130              1.0000000        
P   1
  1      0.1518550              1.0000000        
P   1
  1      0.0638560              1.0000000        
D   9
  1   1635.0663000              0.0000796        
  2    494.6726600              0.0006497        
  3    192.8438800              0.0036941        
  4     85.7821950              0.0153556        
  5     41.1499660              0.0479392        
  6     20.6781700              0.1170641        
  7     10.7263860              0.2148333        
  8      5.6124540              0.2916919        
  9      2.9203760              0.2998362        
D   1
  1      1.4981840              1.0000000        
D   1
  1      0.7359990              1.0000000        
D   1
  1      0.3160040              1.0000000        
D   1
  1      0.1331000              1.0000000        
F   1
  1      0.2100000              1.0000000        
F   1
  1      0.4211000              1.0000000        
F   1
  1      0.8442000              1.0000000        
G   1
  1      0.3850000              1.0000000        
G   1
  1      0.8659000              1.0000000        
H   1
  1      0.7235000              1.0000000        


name: cc-pV5Z-DK
description: V5Z4P Douglas-Kroll Valence Quintuple Zeta + Polarization
elt: Br
data:
BROMINE
S   22
  1 165735150.0000000           0.0000247        
  2 24774379.0000000            0.0000668        
  3 5628202.0000000             0.0001670        
  4 1591899.7000000             0.0003727        
  5 518263.8000000              0.0007944        
  6 186490.9200000              0.0016396        
  7  72332.4930000              0.0033599        
  8  29761.1350000              0.0069111        
  9  12851.7120000              0.0144069        
 10   5780.9430000              0.0303065        
 11   2695.0098000              0.0629196        
 12   1297.6604000              0.1231821        
 13    643.6349300              0.2123778        
 14    327.9519400              0.2912635        
 15    170.9226200              0.2690465        
 16     90.2501410              0.1290585        
 17     46.2924670              0.0196537        
 18     24.8486610             -0.0000129        
 19     13.3471370              0.0004121        
 20      6.9482580             -0.0002160        
 21      3.6250750              0.0000601        
 22      1.8821530             -0.0000554        
S   22
  1 165735150.0000000          -0.0000080        
  2 24774379.0000000           -0.0000216        
  3 5628202.0000000            -0.0000539        
  4 1591899.7000000            -0.0001204        
  5 518263.8000000             -0.0002571        
  6 186490.9200000             -0.0005317        
  7  72332.4930000             -0.0010937        
  8  29761.1350000             -0.0022613        
  9  12851.7120000             -0.0047601        
 10   5780.9430000             -0.0101652        
 11   2695.0098000             -0.0217372        
 12   1297.6604000             -0.0448052        
 13    643.6349300             -0.0854263        
 14    327.9519400             -0.1396881        
 15    170.9226200             -0.1714322        
 16     90.2501410             -0.0786145        
 17     46.2924670              0.2306522        
 18     24.8486610              0.5139143        
 19     13.3471370              0.3591010        
 20      6.9482580              0.0733146        
 21      3.6250750              0.0029998        
 22      1.8821530              0.0013622        
S   22
  1 165735150.0000000           0.0000032        
  2 24774379.0000000            0.0000086        
  3 5628202.0000000             0.0000215        
  4 1591899.7000000             0.0000480        
  5 518263.8000000              0.0001026        
  6 186490.9200000              0.0002122        
  7  72332.4930000              0.0004366        
  8  29761.1350000              0.0009032        
  9  12851.7120000              0.0019041        
 10   5780.9430000              0.0040732        
 11   2695.0098000              0.0087471        
 12   1297.6604000              0.0181446        
 13    643.6349300              0.0350905        
 14    327.9519400              0.0587731        
 15    170.9226200              0.0754418        
 16     90.2501410              0.0360839        
 17     46.2924670             -0.1296116        
 18     24.8486610             -0.3872131        
 19     13.3471370             -0.3636578        
 20      6.9482580              0.1602733        
 21      3.6250750              0.6477622        
 22      1.8821530              0.4439931        
S   22
  1 165735150.0000000          -0.0000010        
  2 24774379.0000000           -0.0000026        
  3 5628202.0000000            -0.0000066        
  4 1591899.7000000            -0.0000148        
  5 518263.8000000             -0.0000315        
  6 186490.9200000             -0.0000652        
  7  72332.4930000             -0.0001342        
  8  29761.1350000             -0.0002777        
  9  12851.7120000             -0.0005857        
 10   5780.9430000             -0.0012526        
 11   2695.0098000             -0.0026934        
 12   1297.6604000             -0.0055878        
 13    643.6349300             -0.0108421        
 14    327.9519400             -0.0181982        
 15    170.9226200             -0.0235817        
 16     90.2501410             -0.0112714        
 17     46.2924670              0.0418035        
 18     24.8486610              0.1323198        
 19     13.3471370              0.1281288        
 20      6.9482580             -0.0665227        
 21      3.6250750             -0.3160467        
 22      1.8821530             -0.3937959        
S   1
  1      0.9108220              1.0000000        
S   1
  1      0.4639570              1.0000000        
S   1
  1      0.2169330              1.0000000        
S   1
  1      0.0984060              1.0000000        
P   13
  1  39391.5300000              0.0001591        
  2   9325.2225000              0.0005911        
  3   3028.9943000              0.0024006        
  4   1159.5145000              0.0087704        
  5    492.6813100              0.0289885        
  6    225.1745100              0.0815684        
  7    108.5932600              0.1848248        
  8     54.3360790              0.3118612        
  9     27.9366500              0.3415362        
 10     14.5396260              0.1898864        
 11      7.4213070              0.0389235        
 12      3.7303890              0.0021923        
 13      1.8541270              0.0006657        
P   13
  1  39391.5300000             -0.0000642        
  2   9325.2225000             -0.0002389        
  3   3028.9943000             -0.0009736        
  4   1159.5145000             -0.0035773        
  5    492.6813100             -0.0119793        
  6    225.1745100             -0.0345328        
  7    108.5932600             -0.0814145        
  8     54.3360790             -0.1444886        
  9     27.9366500             -0.1627963        
 10     14.5396260             -0.0030322        
 11      7.4213070              0.3111830        
 12      3.7303890              0.4794526        
 13      1.8541270              0.2874048        
P   13
  1  39391.5300000              0.0000166        
  2   9325.2225000              0.0000617        
  3   3028.9943000              0.0002519        
  4   1159.5145000              0.0009245        
  5    492.6813100              0.0031083        
  6    225.1745100              0.0089645        
  7    108.5932600              0.0213111        
  8     54.3360790              0.0379347        
  9     27.9366500              0.0432681        
 10     14.5396260             -0.0045302        
 11      7.4213070             -0.0996563        
 12      3.7303890             -0.1689510        
 13      1.8541270             -0.1066928        
P   1
  1      0.8453370              1.0000000        
P   1
  1      0.3921520              1.0000000        
P   1
  1      0.1727670              1.0000000        
P   1
  1      0.0729080              1.0000000        
D   9
  1   1850.6354000              0.0000747        
  2    557.0712500              0.0006089        
  3    216.4868700              0.0034812        
  4     96.1388500              0.0146354        
  5     46.1263800              0.0462801        
  6     23.2011640              0.1145047        
  7     12.0559260              0.2135065        
  8      6.3255450              0.2940595        
  9      3.3049220              0.3037880        
D   1
  1      1.7042530              1.0000000        
D   1
  1      0.8399400              1.0000000        
D   1
  1      0.3569530              1.0000000        
D   1
  1      0.1520000              1.0000000        
F   1
  1      0.2550000              1.0000000        
F   1
  1      0.4955000              1.0000000        
F   1
  1      0.9627000              1.0000000        
G   1
  1      0.4390000              1.0000000        
G   1
  1      0.9768000              1.0000000        
H   1
  1      0.8193000              1.0000000        


name: cc-pV5Z-DK
description: V5Z4P Douglas-Kroll Valence Quintuple Zeta + Polarization
elt: Kr
data:
KRYPTON
S   22
  1 182822090.0000000           0.0000252        
  2 27356156.0000000            0.0000677        
  3 6221170.4000000             0.0001687        
  4 1760277.9000000             0.0003754        
  5 573193.8200000              0.0007975        
  6 206258.4500000              0.0016380        
  7  80026.6690000              0.0033340        
  8  32939.0840000              0.0068065        
  9  14222.6330000              0.0140808        
 10   6393.0707000              0.0294281        
 11   2976.4538000              0.0608964        
 12   1430.5254000              0.1194553        
 13    707.9262100              0.2076125        
 14    359.8484700              0.2890318        
 15    187.1496500              0.2737704        
 16     98.6345230              0.1367309        
 17     50.5478690              0.0221238        
 18     27.1670040             -0.0000568        
 19     14.6150980              0.0004785        
 20      7.6513520             -0.0002415        
 21      3.9972630              0.0000689        
 22      2.0858530             -0.0000604        
S   22
  1 182822090.0000000          -0.0000082        
  2 27356156.0000000           -0.0000220        
  3 6221170.4000000            -0.0000547        
  4 1760277.9000000            -0.0001219        
  5 573193.8200000             -0.0002592        
  6 206258.4500000             -0.0005335        
  7  80026.6690000             -0.0010900        
  8  32939.0840000             -0.0022368        
  9  14222.6330000             -0.0046722        
 10   6393.0707000             -0.0099094        
 11   2976.4538000             -0.0211047        
 12   1430.5254000             -0.0435141        
 13    707.9262100             -0.0833626        
 14    359.8484700             -0.1376411        
 15    187.1496500             -0.1723162        
 16     98.6345230             -0.0870348        
 17     50.5478690              0.2153929        
 18     27.1670040              0.5095850        
 19     14.6150980              0.3720202        
 20      7.6513520              0.0808613        
 21      3.9972630              0.0035632        
 22      2.0858530              0.0013638        
S   22
  1 182822090.0000000           0.0000033        
  2 27356156.0000000            0.0000088        
  3 6221170.4000000             0.0000220        
  4 1760277.9000000             0.0000491        
  5 573193.8200000              0.0001044        
  6 206258.4500000              0.0002149        
  7  80026.6690000              0.0004393        
  8  32939.0840000              0.0009020        
  9  14222.6330000              0.0018867        
 10   6393.0707000              0.0040089        
 11   2976.4538000              0.0085725        
 12   1430.5254000              0.0177877        
 13    707.9262100              0.0345463        
 14    359.8484700              0.0584088        
 15    187.1496500              0.0763932        
 16     98.6345230              0.0403873        
 17     50.5478690             -0.1219398        
 18     27.1670040             -0.3832706        
 19     14.6150980             -0.3792969        
 20      7.6513520              0.1364892        
 21      3.9972630              0.6519009        
 22      2.0858530              0.4573065        
S   22
  1 182822090.0000000          -0.0000010        
  2 27356156.0000000           -0.0000028        
  3 6221170.4000000            -0.0000070        
  4 1760277.9000000            -0.0000157        
  5 573193.8200000             -0.0000333        
  6 206258.4500000             -0.0000686        
  7  80026.6690000             -0.0001403        
  8  32939.0840000             -0.0002880        
  9  14222.6330000             -0.0006029        
 10   6393.0707000             -0.0012804        
 11   2976.4538000             -0.0027423        
 12   1430.5254000             -0.0056891        
 13    707.9262100             -0.0110896        
 14    359.8484700             -0.0187804        
 15    187.1496500             -0.0248179        
 16     98.6345230             -0.0130940        
 17     50.5478690              0.0408100        
 18     27.1670040              0.1363089        
 19     14.6150980              0.1390934        
 20      7.6513520             -0.0585166        
 21      3.9972630             -0.3342573        
 22      2.0858530             -0.4204958        
S   1
  1      1.0147970              1.0000000        
S   1
  1      0.5197880              1.0000000        
S   1
  1      0.2451030              1.0000000        
S   1
  1      0.1118960              1.0000000        
P   13
  1  42993.0560000              0.0001618        
  2  10173.7230000              0.0005885        
  3   3303.1057000              0.0023574        
  4   1263.5400000              0.0085370        
  5    536.3654600              0.0281775        
  6    244.8761700              0.0795306        
  7    117.9911700              0.1814324        
  8     59.0212480              0.3090019        
  9     30.3560670              0.3430349        
 10     15.8199770              0.1949046        
 11      8.1045800              0.0413951        
 12      4.0979640              0.0023413        
 13      2.0560610              0.0006734        
P   13
  1  42993.0560000             -0.0000662        
  2  10173.7230000             -0.0002411        
  3   3303.1057000             -0.0009690        
  4   1263.5400000             -0.0035297        
  5    536.3654600             -0.0117998        
  6    244.8761700             -0.0341158        
  7    117.9911700             -0.0809582        
  8     59.0212480             -0.1450767        
  9     30.3560670             -0.1659858        
 10     15.8199770             -0.0093909        
 11      8.1045800              0.3069669        
 12      4.0979640              0.4827320        
 13      2.0560610              0.2893608        
P   13
  1  42993.0560000              0.0000180        
  2  10173.7230000              0.0000654        
  3   3303.1057000              0.0002634        
  4   1263.5400000              0.0009581        
  5    536.3654600              0.0032169        
  6    244.8761700              0.0093032        
  7    117.9911700              0.0222745        
  8     59.0212480              0.0400313        
  9     30.3560670              0.0464338        
 10     15.8199770             -0.0031452        
 11      8.1045800             -0.1041977        
 12      4.0979640             -0.1819677        
 13      2.0560610             -0.1115503        
P   1
  1      0.9521450              1.0000000        
P   1
  1      0.4447740              1.0000000        
P   1
  1      0.1974960              1.0000000        
P   1
  1      0.0838230              1.0000000        
D   9
  1   2067.4360000              0.0000710        
  2    625.6937100              0.0005649        
  3    243.9467900              0.0032148        
  4    108.4237300              0.0136606        
  5     52.0052160              0.0440230        
  6     26.1154050              0.1112517        
  7     13.5467480              0.2120554        
  8      7.1058100              0.2966348        
  9      3.7215540              0.3076005        
D   1
  1      1.9291200              1.0000000        
D   1
  1      0.9558260              1.0000000        
D   1
  1      0.4051970              1.0000000        
D   1
  1      0.1741000              1.0000000        
F   1
  1      0.3150000              1.0000000        
F   1
  1      0.5870000              1.0000000        
F   1
  1      1.0940000              1.0000000        
G   1
  1      0.5010000              1.0000000        
G   1
  1      1.1040000              1.0000000        
H   1
  1      0.9303000              1.0000000        


name: cc-pV5Z-NR
description: parse error in Sc cc-pV5Z-NR
elt: Sc
data:
SCANDIUM
S   27
  1      1.194950E+08           6.485949E-08     
  2      2.149920E+07           4.284789E-07     
  3      4.807030E+06           2.485007E-06     
  4      1.284400E+06           1.142200E-05     
  5      3.965950E+05           4.446960E-05     
  6      1.375750E+05           1.513206E-04     
  7      5.236680E+04           4.641311E-04     
  8      2.145490E+04           1.311834E-03     
  9      9.316060E+03           3.474539E-03     
 10      4.235400E+03           8.703081E-03     
 11      1.997440E+03           2.066048E-02     
 12      9.704300E+02           4.605121E-02     
 13      4.832710E+02           9.414403E-02     
 14      2.458060E+02           1.684787E-01     
 15      1.273600E+02           2.427557E-01     
 16      6.707880E+01           2.400019E-01     
 17      3.583710E+01           1.296899E-01     
 18      1.937130E+01           5.179276E-02     
 19      1.055710E+01           8.932598E-02     
 20      5.772490E+00           1.143741E-01     
 21      3.145400E+00           5.378437E-02     
 22      1.692490E+00           7.075763E-03     
 23      8.886490E-01           4.599282E-04     
 24      4.710930E-01          -4.575677E-05     
 25      2.492860E-01           1.697886E-05     
 26      9.998800E-02          -4.762361E-06     
 27      4.636900E-02           1.150180E-05     
S   27
  1      1.194950E+08          -3.759394E-08     
  2      2.149920E+07          -2.483745E-07     
  3      4.807030E+06          -1.440342E-06     
  4      1.284400E+06          -6.621203E-06     
  5      3.965950E+05          -2.577627E-05     
  6      1.375750E+05          -8.773842E-05     
  7      5.236680E+04          -2.691491E-04     
  8      2.145490E+04          -7.615431E-04     
  9      9.316060E+03          -2.020037E-03     
 10      4.235400E+03          -5.080893E-03     
 11      1.997440E+03          -1.215118E-02     
 12      9.704300E+02          -2.752281E-02     
 13      4.832710E+02          -5.797250E-02     
 14      2.458060E+02          -1.101259E-01     
 15      1.273600E+02          -1.781088E-01     
 16      6.707880E+01          -2.198344E-01     
 17      3.583710E+01          -1.529949E-01     
 18      1.937130E+01           5.678122E-02     
 19      1.055710E+01           3.530772E-01     
 20      5.772490E+00           4.663403E-01     
 21      3.145400E+00           2.199163E-01     
 22      1.692490E+00           2.889190E-02     
 23      8.886490E-01           7.763282E-04     
 24      4.710930E-01          -8.474216E-04     
 25      2.492860E-01          -1.233881E-04     
 26      9.998800E-02          -1.245485E-05     
 27      4.636900E-02           3.906270E-05     
S   27
  1      1.194950E+08           7.277775E-09     
  2      2.149920E+07           4.808602E-08     
  3      4.807030E+06           2.788306E-07     
  4      1.284400E+06           1.281931E-06     
  5      3.965950E+05           4.990129E-06     
  6      1.375750E+05           1.699051E-05     
  7      5.236680E+04           5.212700E-05     
  8      2.145490E+04           1.476347E-04     
  9      9.316060E+03           3.921373E-04     
 10      4.235400E+03           9.900468E-04     
 11      1.997440E+03           2.383475E-03     
 12      9.704300E+02           5.475682E-03     
 13      4.832710E+02           1.183105E-02     
 14      2.458060E+02           2.357475E-02     
 15      1.273600E+02           4.140241E-02     
 16      6.707880E+01           5.818726E-02     
 17      3.583710E+01           4.596130E-02     
 18      1.937130E+01          -2.847061E-02     
 19      1.055710E+01          -1.817584E-01     
 20      5.772490E+00          -3.512111E-01     
 21      3.145400E+00          -2.324215E-01     
 22      1.692490E+00           2.277188E-01     
 23      8.886490E-01           5.757256E-01     
 24      4.710930E-01           4.062223E-01     
 25      2.492860E-01           8.525293E-02     
 26      9.998800E-02           3.975498E-03     
 27      4.636900E-02           1.954373E-03     
S   27
  1      1.194950E+08          -1.751768E-09     
  2      2.149920E+07          -1.157503E-08     
  3      4.807030E+06          -6.711375E-08     
  4      1.284400E+06          -3.085845E-07     
  5      3.965950E+05          -1.201088E-06     
  6      1.375750E+05          -4.090037E-06     
  7      5.236680E+04          -1.254629E-05     
  8      2.145490E+04          -3.554102E-05     
  9      9.316060E+03          -9.438160E-05     
 10      4.235400E+03          -2.383648E-04     
 11      1.997440E+03          -5.737202E-04     
 12      9.704300E+02          -1.318746E-03     
 13      4.832710E+02          -2.849209E-03     
 14      2.458060E+02          -5.684235E-03     
 15      1.273600E+02          -9.991445E-03     
 16      6.707880E+01          -1.409713E-02     
 17      3.583710E+01          -1.116554E-02     
 18      1.937130E+01           6.912254E-03     
 19      1.055710E+01           4.558164E-02     
 20      5.772490E+00           9.219903E-02     
 21      3.145400E+00           6.237781E-02     
 22      1.692490E+00          -7.194592E-02     
 23      8.886490E-01          -1.917054E-01     
 24      4.710930E-01          -2.379872E-01     
 25      2.492860E-01          -1.129999E-01     
 26      9.998800E-02           3.424078E-01     
 27      4.636900E-02           6.263064E-01     
S   27
  1      1.194950E+08           3.023751E-09     
  2      2.149920E+07           2.009343E-08     
  3      4.807030E+06           1.156659E-07     
  4      1.284400E+06           5.364214E-07     
  5      3.965950E+05           2.066097E-06     
  6      1.375750E+05           7.126727E-06     
  7      5.236680E+04           2.151877E-05     
  8      2.145490E+04           6.213603E-05     
  9      9.316060E+03           1.612839E-04     
 10      4.235400E+03           4.183292E-04     
 11      1.997440E+03           9.766017E-04     
 12      9.704300E+02           2.324551E-03     
 13      4.832710E+02           4.827024E-03     
 14      2.458060E+02           1.009998E-02     
 15      1.273600E+02           1.673441E-02     
 16      6.707880E+01           2.581961E-02     
 17      3.583710E+01           1.659005E-02     
 18      1.937130E+01          -5.993844E-03     
 19      1.055710E+01          -9.265210E-02     
 20      5.772490E+00          -1.475540E-01     
 21      3.145400E+00          -1.531648E-01     
 22      1.692490E+00           2.278575E-01     
 23      8.886490E-01           3.441065E-01     
 24      4.710930E-01           7.482063E-01     
 25      2.492860E-01          -7.586006E-01     
 26      9.998800E-02          -1.492845E+00     
 27      4.636900E-02           7.089234E-01     
S   27
  1      1.194950E+08          -4.699340E-09     
  2      2.149920E+07          -3.121033E-08     
  3      4.807030E+06          -1.797873E-07     
  4      1.284400E+06          -8.330969E-07     
  5      3.965950E+05          -3.212062E-06     
  6      1.375750E+05          -1.106577E-05     
  7      5.236680E+04          -3.346404E-05     
  8      2.145490E+04          -9.645132E-05     
  9      9.316060E+03          -2.509128E-04     
 10      4.235400E+03          -6.492071E-04     
 11      1.997440E+03          -1.520210E-03     
 12      9.704300E+02          -3.607668E-03     
 13      4.832710E+02          -7.524161E-03     
 14      2.458060E+02          -1.568944E-02     
 15      1.273600E+02          -2.620054E-02     
 16      6.707880E+01          -4.021946E-02     
 17      3.583710E+01          -2.662630E-02     
 18      1.937130E+01           1.032930E-02     
 19      1.055710E+01           1.480576E-01     
 20      5.772490E+00           2.660165E-01     
 21      3.145400E+00           2.494336E-01     
 22      1.692490E+00          -5.406974E-01     
 23      8.886490E-01          -1.045556E+00     
 24      4.710930E-01          -1.827419E-01     
 25      2.492860E-01           2.749406E+00     
 26      9.998800E-02          -1.329988E+00     
 27      4.636900E-02          -1.651389E+00     
S   27
  1      1.194950E+08          -5.382706E-09     
  2      2.149920E+07          -3.464964E-08     
  3      4.807030E+06          -2.077081E-07     
  4      1.284400E+06          -9.176214E-07     
  5      3.965950E+05          -3.749175E-06     
  6      1.375750E+05          -1.202459E-05     
  7      5.236680E+04          -3.967943E-05     
  8      2.145490E+04          -1.028180E-04     
  9      9.316060E+03          -3.033647E-04     
 10      4.235400E+03          -6.770787E-04     
 11      1.997440E+03          -1.876278E-03     
 12      9.704300E+02          -3.671941E-03     
 13      4.832710E+02          -9.536033E-03     
 14      2.458060E+02          -1.530677E-02     
 15      1.273600E+02          -3.545668E-02     
 16      6.707880E+01          -3.294163E-02     
 17      3.583710E+01          -5.839314E-02     
 18      1.937130E+01           6.538662E-02     
 19      1.055710E+01           6.318978E-02     
 20      5.772490E+00           5.906996E-01     
 21      3.145400E+00          -1.332877E-01     
 22      1.692490E+00          -3.017064E-01     
 23      8.886490E-01          -2.969901E+00     
 24      4.710930E-01           4.814088E+00     
 25      2.492860E-01          -8.352144E-01     
 26      9.998800E-02          -4.401836E+00     
 27      4.636900E-02           5.729989E+00     
S   27
  1      1.194950E+08           8.181715E-09     
  2      2.149920E+07           5.531212E-08     
  3      4.807030E+06           3.110133E-07     
  4      1.284400E+06           1.484627E-06     
  5      3.965950E+05           5.517880E-06     
  6      1.375750E+05           1.987947E-05     
  7      5.236680E+04           5.688854E-05     
  8      2.145490E+04           1.752133E-04     
  9      9.316060E+03           4.210802E-04     
 10      4.235400E+03           1.193679E-03     
 11      1.997440E+03           2.520603E-03     
 12      9.704300E+02           6.726648E-03     
 13      4.832710E+02           1.230813E-02     
 14      2.458060E+02           3.008461E-02     
 15      1.273600E+02           4.143790E-02     
 16      6.707880E+01           8.479558E-02     
 17      3.583710E+01           2.415501E-02     
 18      1.937130E+01           2.824664E-02     
 19      1.055710E+01          -4.174669E-01     
 20      5.772490E+00          -5.850258E-01     
 21      3.145400E+00          -4.454488E-01     
 22      1.692490E+00           4.127336E+00     
 23      8.886490E-01          -2.305176E+00     
 24      4.710930E-01          -5.710689E+00     
 25      2.492860E-01           9.548572E+00     
 26      9.998800E-02          -8.563715E+00     
 27      4.636900E-02           6.185611E+00     
S   1
  1      2.160600E-02           1.0000000        
P   19
  1      5.507050E+04           2.000000E-06     
  2      1.374170E+04           2.100000E-05     
  3      4.365400E+03           1.300000E-04     
  4      1.642260E+03           6.120000E-04     
  5      6.940660E+02           2.397000E-03     
  6      3.177420E+02           8.073000E-03     
  7      1.538990E+02           2.372600E-02     
  8      7.776650E+01           6.062000E-02     
  9      4.067360E+01           1.298550E-01     
 10      2.190610E+01           2.210980E-01     
 11      1.207950E+01           2.932320E-01     
 12      6.753490E+00           2.767500E-01     
 13      3.763210E+00           1.477940E-01     
 14      2.049730E+00           3.202400E-02     
 15      1.086450E+00           2.890000E-04     
 16      5.640870E-01          -1.467000E-03     
 17      2.810200E-01          -7.670000E-04     
 18      1.215440E-01          -5.800000E-05     
 19      5.345900E-02          -1.100000E-05     
P   19
  1      5.507050E+04          -1.000000E-06     
  2      1.374170E+04          -7.000000E-06     
  3      4.365400E+03          -4.200000E-05     
  4      1.642260E+03          -2.010000E-04     
  5      6.940660E+02          -7.890000E-04     
  6      3.177420E+02          -2.669000E-03     
  7      1.538990E+02          -7.922000E-03     
  8      7.776650E+01          -2.059800E-02     
  9      4.067360E+01          -4.537500E-02     
 10      2.190610E+01          -7.963200E-02     
 11      1.207950E+01          -1.106180E-01     
 12      6.753490E+00          -1.082040E-01     
 13      3.763210E+00          -9.200000E-04     
 14      2.049730E+00           2.175660E-01     
 15      1.086450E+00           3.921900E-01     
 16      5.640870E-01           3.639770E-01     
 17      2.810200E-01           1.499530E-01     
 18      1.215440E-01           1.514700E-02     
 19      5.345900E-02           5.690000E-04     
P   18
  1      1.374170E+04           2.000000E-06     
  2      4.365400E+03           1.000000E-05     
  3      1.642260E+03           4.900000E-05     
  4      6.940660E+02           1.930000E-04     
  5      3.177420E+02           6.490000E-04     
  6      1.538990E+02           1.942000E-03     
  7      7.776650E+01           5.022000E-03     
  8      4.067360E+01           1.117500E-02     
  9      2.190610E+01           1.947300E-02     
 10      1.207950E+01           2.764700E-02     
 11      6.753490E+00           2.646600E-02     
 12      3.763210E+00          -1.460000E-03     
 13      2.049730E+00          -6.499500E-02     
 14      1.086450E+00          -1.156050E-01     
 15      5.640870E-01          -1.382000E-01     
 16      2.810200E-01           7.281000E-03     
 17      1.215440E-01           3.621410E-01     
 18      5.345900E-02           5.420120E-01     
P   18
  1      1.374170E+04           2.000000E-06     
  2      4.365400E+03           1.200000E-05     
  3      1.642260E+03           5.900000E-05     
  4      6.940660E+02           2.320000E-04     
  5      3.177420E+02           7.880000E-04     
  6      1.538990E+02           2.330000E-03     
  7      7.776650E+01           6.094000E-03     
  8      4.067360E+01           1.337600E-02     
  9      2.190610E+01           2.370100E-02     
 10      1.207950E+01           3.278900E-02     
 11      6.753490E+00           3.290900E-02     
 12      3.763210E+00          -2.231000E-03     
 13      2.049730E+00          -7.361100E-02     
 14      1.086450E+00          -1.369540E-01     
 15      5.640870E-01          -1.677060E-01     
 16      2.810200E-01          -5.268600E-02     
 17      1.215440E-01           5.744330E-01     
 18      5.345900E-02           5.236500E-01     
P   18
  1      1.374170E+04           4.000000E-06     
  2      4.365400E+03           2.700000E-05     
  3      1.642260E+03           1.150000E-04     
  4      6.940660E+02           4.920000E-04     
  5      3.177420E+02           1.527000E-03     
  6      1.538990E+02           4.936000E-03     
  7      7.776650E+01           1.174700E-02     
  8      4.067360E+01           2.860300E-02     
  9      2.190610E+01           4.436000E-02     
 10      1.207950E+01           7.619200E-02     
 11      6.753490E+00           5.760600E-02     
 12      3.763210E+00           2.398700E-02     
 13      2.049730E+00          -2.155680E-01     
 14      1.086450E+00          -3.753780E-01     
 15      5.640870E-01          -4.369340E-01     
 16      2.810200E-01           1.222472E+00     
 17      1.215440E-01           4.294290E-01     
 18      5.345900E-02          -9.345890E-01     
P   18
  1      1.374170E+04          -6.000000E-06     
  2      4.365400E+03          -2.400000E-05     
  3      1.642260E+03          -1.730000E-04     
  4      6.940660E+02          -4.550000E-04     
  5      3.177420E+02          -2.275000E-03     
  6      1.538990E+02          -4.543000E-03     
  7      7.776650E+01          -1.774200E-02     
  8      4.067360E+01          -2.427100E-02     
  9      2.190610E+01          -7.561100E-02     
 10      1.207950E+01          -4.487900E-02     
 11      6.753490E+00          -1.899630E-01     
 12      3.763210E+00           1.273510E-01     
 13      2.049730E+00           1.161170E-01     
 14      1.086450E+00           1.348698E+00     
 15      5.640870E-01          -1.512311E+00     
 16      2.810200E-01          -9.436110E-01     
 17      1.215440E-01           2.307450E+00     
 18      5.345900E-02          -1.217237E+00     
P   19
  1      5.507050E+04          -1.000000E-06     
  2      1.374170E+04          -7.000000E-06     
  3      4.365400E+03          -4.300000E-05     
  4      1.642260E+03          -2.170000E-04     
  5      6.940660E+02          -8.070000E-04     
  6      3.177420E+02          -2.887000E-03     
  7      1.538990E+02          -8.161000E-03     
  8      7.776650E+01          -2.271300E-02     
  9      4.067360E+01          -4.739600E-02     
 10      2.190610E+01          -8.968000E-02     
 11      1.207950E+01          -1.077940E-01     
 12      6.753490E+00          -1.913740E-01     
 13      3.763210E+00           3.672400E-02     
 14      2.049730E+00           1.201016E+00     
 15      1.086450E+00           3.399550E-01     
 16      5.640870E-01          -3.802289E+00     
 17      2.810200E-01           4.448876E+00     
 18      1.215440E-01          -2.513096E+00     
 19      5.345900E-02           4.021440E-01     
P   1
  1      2.321500E-02           1.0000000        
D   11
  1      2.056060E+02           2.380000E-04     
  2      6.102270E+01           2.167000E-03     
  3      2.336300E+01           1.084900E-02     
  4      9.963460E+00           3.588100E-02     
  5      4.489450E+00           9.349100E-02     
  6      2.117950E+00           1.810760E-01     
  7      1.012018E+00           2.575930E-01     
  8      4.810450E-01           2.918550E-01     
  9      2.264880E-01           2.690060E-01     
 10      1.050570E-01           1.881740E-01     
 11      4.768200E-02           7.324300E-02     
D   11
  1      2.056060E+02          -2.430000E-04     
  2      6.102270E+01          -2.214000E-03     
  3      2.336300E+01          -1.110700E-02     
  4      9.963460E+00          -3.697000E-02     
  5      4.489450E+00          -9.781500E-02     
  6      2.117950E+00          -1.845670E-01     
  7      1.012018E+00          -2.472790E-01     
  8      4.810450E-01          -2.053770E-01     
  9      2.264880E-01           1.036720E-01     
 10      1.050570E-01           4.618980E-01     
 11      4.768200E-02           3.834000E-01     
D   11
  1      2.056060E+02          -3.220000E-04     
  2      6.102270E+01          -2.876000E-03     
  3      2.336300E+01          -1.481800E-02     
  4      9.963460E+00          -4.843800E-02     
  5      4.489450E+00          -1.307580E-01     
  6      2.117950E+00          -2.428420E-01     
  7      1.012018E+00          -2.844310E-01     
  8      4.810450E-01           1.037260E-01     
  9      2.264880E-01           7.430280E-01     
 10      1.050570E-01           9.533700E-02     
 11      4.768200E-02          -6.651170E-01     
D   11
  1      2.056060E+02          -4.530000E-04     
  2      6.102270E+01          -3.796000E-03     
  3      2.336300E+01          -2.077300E-02     
  4      9.963460E+00          -6.544600E-02     
  5      4.489450E+00          -1.943420E-01     
  6      2.117950E+00          -3.147140E-01     
  7      1.012018E+00          -2.516280E-01     
  8      4.810450E-01           1.085315E+00     
  9      2.264880E-01          -1.291800E-02     
 10      1.050570E-01          -1.243783E+00     
 11      4.768200E-02           7.723990E-01     
D   11
  1      2.056060E+02          -5.240000E-04     
  2      6.102270E+01          -6.793000E-03     
  3      2.336300E+01          -2.631900E-02     
  4      9.963460E+00          -1.219320E-01     
  5      4.489450E+00          -2.498200E-01     
  6      2.117950E+00          -6.181690E-01     
  7      1.012018E+00           9.989180E-01     
  8      4.810450E-01           5.962450E-01     
  9      2.264880E-01          -2.138243E+00     
 10      1.050570E-01           1.973082E+00     
 11      4.768200E-02          -6.527370E-01     
D   1
  1      2.066000E-02           1.0000000        
F   1
  1      2.340000E+00           1.0000000        
F   1
  1      7.657000E-01           1.0000000        
F   1
  1      2.505000E-01           1.0000000        
F   1
  1      8.200000E-02           1.0000000        
G   1
  1      1.727200E+00           1.0000000        
G   1
  1      5.445000E-01           1.0000000        
G   1
  1      1.717000E-01           1.0000000        
H   1
  1      1.159200E+00           1.0000000        
H   1
  1      3.308000E-01           1.0000000        
I   1
  1      5.720000E-01           1.0000000        


name: cc-pV5Z-NR
description: 5Z4P All-electron non-relativistic Valence Quintuple Zeta + Polarization
elt: Sc
data:
SCANDIUM
S   27
  1      1.19495E+08            6.485949E-08     
  2      2.14992E+07            4.284789E-07     
  3      4.80703E+06            2.485007E-06     
  4      1.28440E+06            1.1422E-05       
  5 3965950.0000000             4.44696E-05      
  6 1375750.0000000             0.0001513206     
  7  52366.8000000              0.0004641311     
  8  21454.9000000              0.001311834      
  9   9316.0600000              0.003474539      
 10   4235.4000000              0.008703081      
 11   1997.4400000              0.02066048       
 12    970.4300000              0.04605121       
 13    483.2710000              0.09414403       
 14    245.8060000              0.1684787        
 15    127.3600000              0.2427557        
 16     67.0788000              0.2400019        
 17     35.8371000              0.1296899        
 18     19.3713000              0.05179276       
 19     10.5571000              0.08932598       
 20      5.7724900              0.1143741        
 21      3.1454000              0.05378437       
 22      1.6924900              0.007075763      
 23      0.8886490              0.0004599282     
 24      0.4710930             -4.575677E-05     
 25      0.2492860              1.697886E-05     
 26      0.0999880             -4.762361E-06     
 27      0.0463690              1.15018E-05      
S   27
  1      1.19495E+08           -3.759394E-08     
  2      2.14992E+07           -2.483745E-07     
  3      4.80703E+06           -1.440342E-06     
  4      1.28440E+06           -6.621203E-06     
  5 3965950.0000000            -2.577627E-05     
  6 1375750.0000000            -8.773842E-05     
  7  52366.8000000             -0.0002691491     
  8  21454.9000000             -0.0007615431     
  9   9316.0600000             -0.002020037      
 10   4235.4000000             -0.005080893      
 11   1997.4400000             -0.01215118       
 12    970.4300000             -0.02752281       
 13    483.2710000             -0.0579725        
 14    245.8060000             -0.1101259        
 15    127.3600000             -0.1781088        
 16     67.0788000             -0.2198344        
 17     35.8371000             -0.1529949        
 18     19.3713000              0.05678122       
 19     10.5571000              0.3530772        
 20      5.7724900              0.4663403        
 21      3.1454000              0.2199163        
 22      1.6924900              0.0288919        
 23      0.8886490              0.0007763282     
 24      0.4710930             -0.0008474216     
 25      0.2492860             -0.0001233881     
 26      0.0999880             -1.245485E-05     
 27      0.0463690              3.90627E-05      
S   27
  1      1.19495E+08            7.277775E-09     
  2      2.14992E+07            4.808602E-08     
  3      4.80703E+06            2.788306E-07     
  4      1.28440E+06            1.281931E-06     
  5 3965950.0000000             4.990129E-06     
  6 1375750.0000000             1.699051E-05     
  7  52366.8000000              5.2127E-05       
  8  21454.9000000              0.0001476347     
  9   9316.0600000              0.0003921373     
 10   4235.4000000              0.0009900468     
 11   1997.4400000              0.002383475      
 12    970.4300000              0.005475682      
 13    483.2710000              0.01183105       
 14    245.8060000              0.02357475       
 15    127.3600000              0.04140241       
 16     67.0788000              0.05818726       
 17     35.8371000              0.0459613        
 18     19.3713000             -0.02847061       
 19     10.5571000             -0.1817584        
 20      5.7724900             -0.3512111        
 21      3.1454000             -0.2324215        
 22      1.6924900              0.2277188        
 23      0.8886490              0.5757256        
 24      0.4710930              0.4062223        
 25      0.2492860              0.08525293       
 26      0.0999880              0.003975498      
 27      0.0463690              0.001954373      
S   27
  1      1.19495E+08           -1.751768E-09     
  2      2.14992E+07           -1.157503E-08     
  3      4.80703E+06           -6.711375E-08     
  4      1.28440E+06           -3.085845E-07     
  5 3965950.0000000            -1.201088E-06     
  6 1375750.0000000            -4.090037E-06     
  7  52366.8000000             -1.254629E-05     
  8  21454.9000000             -3.554102E-05     
  9   9316.0600000             -9.43816E-05      
 10   4235.4000000             -0.0002383648     
 11   1997.4400000             -0.0005737202     
 12    970.4300000             -0.001318746      
 13    483.2710000             -0.002849209      
 14    245.8060000             -0.005684235      
 15    127.3600000             -0.009991445      
 16     67.0788000             -0.01409713       
 17     35.8371000             -0.01116554       
 18     19.3713000              0.006912254      
 19     10.5571000              0.04558164       
 20      5.7724900              0.09219903       
 21      3.1454000              0.06237781       
 22      1.6924900             -0.07194592       
 23      0.8886490             -0.1917054        
 24      0.4710930             -0.2379872        
 25      0.2492860             -0.1129999        
 26      0.0999880              0.3424078        
 27      0.0463690              0.6263064        
S   27
  1      1.19495E+08            3.023751E-09     
  2      2.14992E+07            2.009343E-08     
  3      4.80703E+06            1.156659E-07     
  4      1.28440E+06            5.364214E-07     
  5 3965950.0000000             2.066097E-06     
  6 1375750.0000000             7.126727E-06     
  7  52366.8000000              2.151877E-05     
  8  21454.9000000              6.213603E-05     
  9   9316.0600000              0.0001612839     
 10   4235.4000000              0.0004183292     
 11   1997.4400000              0.0009766017     
 12    970.4300000              0.002324551      
 13    483.2710000              0.004827024      
 14    245.8060000              0.01009998       
 15    127.3600000              0.01673441       
 16     67.0788000              0.02581961       
 17     35.8371000              0.01659005       
 18     19.3713000             -0.005993844      
 19     10.5571000             -0.0926521        
 20      5.7724900             -0.1475540        
 21      3.1454000             -0.1531648        
 22      1.6924900              0.2278575        
 23      0.8886490              0.3441065        
 24      0.4710930              0.7482063        
 25      0.2492860             -0.7586006        
 26      0.0999880             -1.4928450        
 27      0.0463690              0.7089234        
S   27
  1      1.19495E+08           -4.699340E-09     
  2      2.14992E+07           -3.121033E-08     
  3      4.80703E+06           -1.797873E-07     
  4      1.28440E+06           -8.330969E-07     
  5 3965950.0000000            -3.212062E-06     
  6 1375750.0000000            -1.106577E-05     
  7  52366.8000000             -3.346404E-05     
  8  21454.9000000             -9.645132E-05     
  9   9316.0600000             -0.0002509128     
 10   4235.4000000             -0.0006492071     
 11   1997.4400000             -0.00152021       
 12    970.4300000             -0.003607668      
 13    483.2710000             -0.007524161      
 14    245.8060000             -0.01568944       
 15    127.3600000             -0.02620054       
 16     67.0788000             -0.04021946       
 17     35.8371000             -0.0266263        
 18     19.3713000              0.0103293        
 19     10.5571000              0.1480576        
 20      5.7724900              0.2660165        
 21      3.1454000              0.2494336        
 22      1.6924900             -0.5406974        
 23      0.8886490             -1.0455560        
 24      0.4710930             -0.1827419        
 25      0.2492860              2.7494060        
 26      0.0999880             -1.3299880        
 27      0.0463690             -1.6513890        
S   27
  1      1.19495E+08           -5.382706E-09     
  2      2.14992E+07           -3.464964E-08     
  3      4.80703E+06           -2.077081E-07     
  4      1.28440E+06           -9.176214E-07     
  5 3965950.0000000            -3.749175E-06     
  6 1375750.0000000            -1.202459E-05     
  7  52366.8000000             -3.967943E-05     
  8  21454.9000000             -0.000102818      
  9   9316.0600000             -0.0003033647     
 10   4235.4000000             -0.0006770787     
 11   1997.4400000             -0.001876278      
 12    970.4300000             -0.003671941      
 13    483.2710000             -0.009536033      
 14    245.8060000             -0.01530677       
 15    127.3600000             -0.03545668       
 16     67.0788000             -0.03294163       
 17     35.8371000             -0.05839314       
 18     19.3713000              0.06538662       
 19     10.5571000              0.06318978       
 20      5.7724900              0.5906996        
 21      3.1454000             -0.1332877        
 22      1.6924900             -0.3017064        
 23      0.8886490             -2.9699010        
 24      0.4710930              4.8140880        
 25      0.2492860             -0.8352144        
 26      0.0999880             -4.4018360        
 27      0.0463690              5.7299890        
S   27
  1      1.19495E+08            8.181715E-09     
  2      2.14992E+07            5.531212E-08     
  3      4.80703E+06            3.110133E-07     
  4      1.28440E+06            1.484627E-06     
  5 3965950.0000000             5.51788E-06      
  6 1375750.0000000             1.987947E-05     
  7  52366.8000000              5.688854E-05     
  8  21454.9000000              0.0001752133     
  9   9316.0600000              0.0004210802     
 10   4235.4000000              0.001193679      
 11   1997.4400000              0.002520603      
 12    970.4300000              0.006726648      
 13    483.2710000              0.01230813       
 14    245.8060000              0.03008461       
 15    127.3600000              0.0414379        
 16     67.0788000              0.08479558       
 17     35.8371000              0.02415501       
 18     19.3713000              0.02824664       
 19     10.5571000             -0.4174669        
 20      5.7724900             -0.5850258        
 21      3.1454000             -0.4454488        
 22      1.6924900              4.1273360        
 23      0.8886490             -2.3051760        
 24      0.4710930             -5.7106890        
 25      0.2492860              9.5485720        
 26      0.0999880             -8.5637150        
 27      0.0463690              6.1856110        
S   1
  1      0.0216060              1.0000000        
P   19
  1  55070.5000000              0.0000020        
  2  13741.7000000              0.0000210        
  3   4365.4000000              0.0001300        
  4   1642.2600000              0.0006120        
  5    694.0660000              0.0023970        
  6    317.7420000              0.0080730        
  7    153.8990000              0.0237260        
  8     77.7665000              0.0606200        
  9     40.6736000              0.1298550        
 10     21.9061000              0.2210980        
 11     12.0795000              0.2932320        
 12      6.7534900              0.2767500        
 13      3.7632100              0.1477940        
 14      2.0497300              0.0320240        
 15      1.0864500              0.0002890        
 16      0.5640870             -0.0014670        
 17      0.2810200             -0.0007670        
 18      0.1215440             -0.0000580        
 19      0.0534590             -0.0000110        
P   19
  1  55070.5000000             -0.0000010        
  2  13741.7000000             -0.0000070        
  3   4365.4000000             -0.0000420        
  4   1642.2600000             -0.0002010        
  5    694.0660000             -0.0007890        
  6    317.7420000             -0.0026690        
  7    153.8990000             -0.0079220        
  8     77.7665000             -0.0205980        
  9     40.6736000             -0.0453750        
 10     21.9061000             -0.0796320        
 11     12.0795000             -0.1106180        
 12      6.7534900             -0.1082040        
 13      3.7632100             -0.0009200        
 14      2.0497300              0.2175660        
 15      1.0864500              0.3921900        
 16      0.5640870              0.3639770        
 17      0.2810200              0.1499530        
 18      0.1215440              0.0151470        
 19      0.0534590              0.0005690        
P   18
  1  13741.7000000              0.0000020        
  2   4365.4000000              0.0000100        
  3   1642.2600000              0.0000490        
  4    694.0660000              0.0001930        
  5    317.7420000              0.0006490        
  6    153.8990000              0.0019420        
  7     77.7665000              0.0050220        
  8     40.6736000              0.0111750        
  9     21.9061000              0.0194730        
 10     12.0795000              0.0276470        
 11      6.7534900              0.0264660        
 12      3.7632100             -0.0014600        
 13      2.0497300             -0.0649950        
 14      1.0864500             -0.1156050        
 15      0.5640870             -0.1382000        
 16      0.2810200              0.0072810        
 17      0.1215440              0.3621410        
 18      0.0534590              0.5420120        
P   18
  1  13741.7000000              0.0000020        
  2   4365.4000000              0.0000120        
  3   1642.2600000              0.0000590        
  4    694.0660000              0.0002320        
  5    317.7420000              0.0007880        
  6    153.8990000              0.0023300        
  7     77.7665000              0.0060940        
  8     40.6736000              0.0133760        
  9     21.9061000              0.0237010        
 10     12.0795000              0.0327890        
 11      6.7534900              0.0329090        
 12      3.7632100             -0.0022310        
 13      2.0497300             -0.0736110        
 14      1.0864500             -0.1369540        
 15      0.5640870             -0.1677060        
 16      0.2810200             -0.0526860        
 17      0.1215440              0.5744330        
 18      0.0534590              0.5236500        
P   18
  1  13741.7000000              0.0000040        
  2   4365.4000000              0.0000270        
  3   1642.2600000              0.0001150        
  4    694.0660000              0.0004920        
  5    317.7420000              0.0015270        
  6    153.8990000              0.0049360        
  7     77.7665000              0.0117470        
  8     40.6736000              0.0286030        
  9     21.9061000              0.0443600        
 10     12.0795000              0.0761920        
 11      6.7534900              0.0576060        
 12      3.7632100              0.0239870        
 13      2.0497300             -0.2155680        
 14      1.0864500             -0.3753780        
 15      0.5640870             -0.4369340        
 16      0.2810200              1.2224720        
 17      0.1215440              0.4294290        
 18      0.0534590             -0.9345890        
P   18
  1  13741.7000000             -0.0000060        
  2   4365.4000000             -0.0000240        
  3   1642.2600000             -0.0001730        
  4    694.0660000             -0.0004550        
  5    317.7420000             -0.0022750        
  6    153.8990000             -0.0045430        
  7     77.7665000             -0.0177420        
  8     40.6736000             -0.0242710        
  9     21.9061000             -0.0756110        
 10     12.0795000             -0.0448790        
 11      6.7534900             -0.1899630        
 12      3.7632100              0.1273510        
 13      2.0497300              0.1161170        
 14      1.0864500              1.3486980        
 15      0.5640870             -1.5123110        
 16      0.2810200             -0.9436110        
 17      0.1215440              2.3074500        
 18      0.0534590             -1.2172370        
P   19
  1  55070.5000000             -0.0000010        
  2  13741.7000000             -0.0000070        
  3   4365.4000000             -0.0000430        
  4   1642.2600000             -0.0002170        
  5    694.0660000             -0.0008070        
  6    317.7420000             -0.0028870        
  7    153.8990000             -0.0081610        
  8     77.7665000             -0.0227130        
  9     40.6736000             -0.0473960        
 10     21.9061000             -0.0896800        
 11     12.0795000             -0.1077940        
 12      6.7534900             -0.1913740        
 13      3.7632100              0.0367240        
 14      2.0497300              1.2010160        
 15      1.0864500              0.3399550        
 16      0.5640870             -3.8022890        
 17      0.2810200              4.4488760        
 18      0.1215440             -2.5130960        
 19      0.0534590              0.4021440        
P   1
  1      0.0232150              1.0000000        
D   11
  1    205.6060000              0.0002380        
  2     61.0227000              0.0021670        
  3     23.3630000              0.0108490        
  4      9.9634600              0.0358810        
  5      4.4894500              0.0934910        
  6      2.1179500              0.1810760        
  7      1.0120180              0.2575930        
  8      0.4810450              0.2918550        
  9      0.2264880              0.2690060        
 10      0.1050570              0.1881740        
 11      0.0476820              0.0732430        
D   11
  1    205.6060000             -0.0002430        
  2     61.0227000             -0.0022140        
  3     23.3630000             -0.0111070        
  4      9.9634600             -0.0369700        
  5      4.4894500             -0.0978150        
  6      2.1179500             -0.1845670        
  7      1.0120180             -0.2472790        
  8      0.4810450             -0.2053770        
  9      0.2264880              0.1036720        
 10      0.1050570              0.4618980        
 11      0.0476820              0.3834000        
D   11
  1    205.6060000             -0.0003220        
  2     61.0227000             -0.0028760        
  3     23.3630000             -0.0148180        
  4      9.9634600             -0.0484380        
  5      4.4894500             -0.1307580        
  6      2.1179500             -0.2428420        
  7      1.0120180             -0.2844310        
  8      0.4810450              0.1037260        
  9      0.2264880              0.7430280        
 10      0.1050570              0.0953370        
 11      0.0476820             -0.6651170        
D   11
  1    205.6060000             -0.0004530        
  2     61.0227000             -0.0037960        
  3     23.3630000             -0.0207730        
  4      9.9634600             -0.0654460        
  5      4.4894500             -0.1943420        
  6      2.1179500             -0.3147140        
  7      1.0120180             -0.2516280        
  8      0.4810450              1.0853150        
  9      0.2264880             -0.0129180        
 10      0.1050570             -1.2437830        
 11      0.0476820              0.7723990        
D   11
  1    205.6060000             -0.0005240        
  2     61.0227000             -0.0067930        
  3     23.3630000             -0.0263190        
  4      9.9634600             -0.1219320        
  5      4.4894500             -0.2498200        
  6      2.1179500             -0.6181690        
  7      1.0120180              0.9989180        
  8      0.4810450              0.5962450        
  9      0.2264880             -2.1382430        
 10      0.1050570              1.9730820        
 11      0.0476820             -0.6527370        
D   1
  1      0.0206600              1.0000000        
F   1
  1      2.3400000              1.0000000        
F   1
  1      0.7657000              1.0000000        
F   1
  1      0.2505000              1.0000000        
F   1
  1      0.0820000              1.0000000        
G   1
  1      1.7272000              1.0000000        
G   1
  1      0.5445000              1.0000000        
G   1
  1      0.1717000              1.0000000        
H   1
  1      1.1592000              1.0000000        
H   1
  1      0.3308000              1.0000000        
I   1
  1      0.5720000              1.0000000        


name: cc-pV5Z-NR
description: 5Z4P All-electron non-relativistic Valence Quintuple Zeta + Polarization
elt: Zn
data:
ZINC
S   27
  1      1.87413E+08            1.009014E-07     
  2      3.35127E+07            6.704747E-07     
  3      7.50475E+06            3.863166E-06     
  4      2.01787E+06            1.756108E-05     
  5 628578.0000000              6.747146E-05     
  6 220163.0000000              0.0002265652     
  7  84595.2000000              0.0006864596     
  8  34955.5000000              0.001919556      
  9  15290.3000000              0.005035036      
 10   6994.9300000              0.01249183       
 11   3316.5900000              0.02931174       
 12   1619.2400000              0.06427367       
 13    810.3430000              0.1280292        
 14    414.3930000              0.2196143        
 15    216.0580000              0.2943285        
 16    114.6350000              0.2592639        
 17     61.7623000              0.1154133        
 18     33.6924000              0.01748179       
 19     18.5315000              0.00123447       
 20     10.2144000              1.030887E-05     
 21      5.5942800              5.407386E-05     
 22      3.0096800             -9.020925E-05     
 23      1.5668400              1.229205E-05     
 24      0.7814370             -1.291299E-05     
 25      0.2581180              5.053007E-06     
 26      0.1385560             -4.083295E-06     
 27      0.0661710              1.77407E-06      
S   27
  1      1.87413E+08           -3.115741E-08     
  2      3.35127E+07           -2.070312E-07     
  3      7.50475E+06           -1.192935E-06     
  4      2.01787E+06           -5.422776E-06     
  5 628578.0000000             -2.083826E-05     
  6 220163.0000000             -6.998988E-05     
  7  84595.2000000             -0.0002122319     
  8  34955.5000000             -0.0005944122     
  9  15290.3000000             -0.001565121      
 10   6994.9300000             -0.003912825      
 11   3316.5900000             -0.009329174      
 12   1619.2400000             -0.02109918       
 13    810.3430000             -0.04460857       
 14    414.3930000             -0.08543854       
 15    216.0580000             -0.1398518        
 16    114.6350000             -0.1674907        
 17     61.7623000             -0.07864897       
 18     33.6924000              0.1871467        
 19     18.5315000              0.4773740        
 20     10.2144000              0.3974608        
 21      5.5942800              0.1119124        
 22      3.0096800              0.01021018       
 23      1.5668400              0.001535466      
 24      0.7814370              0.0003513273     
 25      0.2581180              8.700326E-06     
 26      0.1385560              8.085928E-06     
 27      0.0661710             -4.465779E-06     
S   27
  1      1.87413E+08            1.176468E-08     
  2      3.35127E+07            7.81863E-08      
  3      7.50475E+06            4.504171E-07     
  4      2.01787E+06            2.048043E-06     
  5 628578.0000000              7.867565E-06     
  6 220163.0000000              2.643679E-05     
  7  84595.2000000              8.013127E-05     
  8  34955.5000000              0.0002246143     
  9  15290.3000000              0.0005912514     
 10   6994.9300000              0.00148082       
 11   3316.5900000              0.003533956      
 12   1619.2400000              0.00803224       
 13    810.3430000              0.01708455       
 14    414.3930000              0.03323558       
 15    216.0580000              0.05573178       
 16    114.6350000              0.07004526       
 17     61.7623000              0.03460894       
 18     33.6924000             -0.09417457       
 19     18.5315000             -0.3185785        
 20     10.2144000             -0.3740136        
 21      5.5942800             -0.007223424      
 22      3.0096800              0.4699051        
 23      1.5668400              0.5650018        
 24      0.7814370              0.2128446        
 25      0.2581180              0.01020773       
 26      0.1385560             -0.003216647      
 27      0.0661710              0.0009813901     
S   27
  1      1.87413E+08           -2.356493E-09     
  2      3.35127E+07           -1.565939E-08     
  3      7.50475E+06           -9.022205E-08     
  4      2.01787E+06           -4.101783E-07     
  5 628578.0000000             -1.575992E-06     
  6 220163.0000000             -5.294514E-06     
  7  84595.2000000             -1.605261E-05     
  8  34955.5000000             -4.498259E-05     
  9  15290.3000000             -0.0001184624     
 10   6994.9300000             -0.0002965895     
 11   3316.5900000             -0.0007083659     
 12   1619.2400000             -0.001609791      
 13    810.3430000             -0.003429679      
 14    414.3930000             -0.00667783       
 15    216.0580000             -0.01124816       
 16    114.6350000             -0.01419067       
 17     61.7623000             -0.007119783      
 18     33.6924000              0.01964233       
 19     18.5315000              0.06866033       
 20     10.2144000              0.08451691       
 21      5.5942800             -0.002558593      
 22      3.0096800             -0.1246873        
 23      1.5668400             -0.1981732        
 24      0.7814370             -0.1626983        
 25      0.2581180              0.1212677        
 26      0.1385560              0.4147624        
 27      0.0661710              0.4840872        
S   27
  1      1.87413E+08            6.708866E-09     
  2      3.35127E+07            4.41662E-08      
  3      7.50475E+06            2.575365E-07     
  4      2.01787E+06            1.154012E-06     
  5 628578.0000000              4.513571E-06     
  6 220163.0000000              1.483194E-05     
  7  84595.2000000              4.621034E-05     
  8  34955.5000000              0.0001252604     
  9  15290.3000000              0.0003431994     
 10   6994.9300000              0.000820361      
 11   3316.5900000              0.002066898      
 12   1619.2400000              0.004419789      
 13    810.3430000              0.01011367       
 14    414.3930000              0.01809426       
 15    216.0580000              0.03416662       
 16    114.6350000              0.03593265       
 17     61.7623000              0.03074112       
 18     33.6924000             -0.07752629       
 19     18.5315000             -0.1679194        
 20     10.2144000             -0.3562499        
 21      5.5942800              0.1776982        
 22      3.0096800              0.4749129        
 23      1.5668400              0.8521909        
 24      0.7814370             -0.7724873        
 25      0.2581180             -1.4319140        
 26      0.1385560              0.4991946        
 27      0.0661710              0.5499585        
S   27
  1      1.87413E+08           -9.317884E-09     
  2      3.35127E+07           -6.155607E-08     
  3      7.50475E+06           -3.573416E-07     
  4      2.01787E+06           -1.609881E-06     
  5 628578.0000000             -6.255093E-06     
  6 220163.0000000             -2.072444E-05     
  7  84595.2000000             -6.392044E-05     
  8  34955.5000000             -0.0001754269     
  9  15290.3000000             -0.0004736661     
 10   6994.9300000             -0.001152085      
 11   3316.5900000             -0.002846504      
 12   1619.2400000             -0.006230027      
 13    810.3430000             -0.01389848       
 14    414.3930000             -0.02572496       
 15    216.0580000             -0.04674972       
 16    114.6350000             -0.05304136       
 17     61.7623000             -0.03846676       
 18     33.6924000              0.09700309       
 19     18.5315000              0.2750132        
 20     10.2144000              0.6149135        
 21      5.5942800             -0.4648242        
 22      3.0096800             -1.4688170        
 23      1.5668400             -0.06123386       
 24      0.7814370              2.5333260        
 25      0.2581180             -1.4838310        
 26      0.1385560             -0.9440243        
 27      0.0661710              0.9934343        
S   27
  1      1.87413E+08            1.206066E-08     
  2      3.35127E+07            8.110169E-08     
  3      7.50475E+06            4.60205E-07      
  4      2.01787E+06            2.130959E-06     
  5 628578.0000000              8.004527E-06     
  6 220163.0000000              2.765382E-05     
  7  84595.2000000              8.09931E-05      
  8  34955.5000000              0.000236727      
  9  15290.3000000              0.0005928609     
 10   6994.9300000              0.001574959      
 11   3316.5900000              0.003517111      
 12   1619.2400000              0.008651605      
 13    810.3430000              0.01689628       
 14    414.3930000              0.03686833       
 15    216.0580000              0.05445003       
 16    114.6350000              0.08690671       
 17     61.7623000              0.01740443       
 18     33.6924000             -0.05212573       
 19     18.5315000             -0.5511726        
 20     10.2144000             -1.1543500        
 21      5.5942800              2.1468370        
 22      3.0096800              2.4632420        
 23      1.5668400             -6.0927930        
 24      0.7814370              3.2604830        
 25      0.2581180              2.0784120        
 26      0.1385560             -4.0424470        
 27      0.0661710              1.7426680        
S   27
  1      1.87413E+08            1.288013E-08     
  2      3.35127E+07            7.963494E-08     
  3      7.50475E+06            5.028311E-07     
  4      2.01787E+06            2.04487E-06      
  5 628578.0000000              8.997462E-06     
  6 220163.0000000              2.548089E-05     
  7  84595.2000000              9.502563E-05     
  8  34955.5000000              0.000205759      
  9  15290.3000000              0.000732222      
 10   6994.9300000              0.001279062      
 11   3316.5900000              0.004583798      
 12   1619.2400000              0.006488435      
 13    810.3430000              0.02369604       
 14    414.3930000              0.02360841       
 15    216.0580000              0.09186954       
 16    114.6350000              0.01584593       
 17     61.7623000              0.1832209        
 18     33.6924000             -0.3620858        
 19     18.5315000             -0.2562035        
 20     10.2144000             -2.6784160        
 21      5.5942800              8.3186980        
 22      3.0096800             -7.7549970        
 23      1.5668400              0.5798922        
 24      0.7814370              4.4806790        
 25      0.2581180             -7.9856680        
 26      0.1385560              7.9331330        
 27      0.0661710             -2.6833390        
S   1
  1      0.0309860              1.0000000        
P   19
  1 110349.0000000              0.0000030        
  2  26971.3000000              0.0000250        
  3   8560.0700000              0.0001540        
  4   3248.8000000              0.0007110        
  5   1389.4100000              0.0027260        
  6    643.0430000              0.0090780        
  7    314.0050000              0.0266470        
  8    159.4890000              0.0683490        
  9     83.6662000              0.1462290        
 10     45.1574000              0.2463660        
 11     24.9630000              0.3093570        
 12     14.0043000              0.2518340        
 13      7.8326700              0.1075770        
 14      4.2841000              0.0186230        
 15      2.2890100              0.0018400        
 16      1.1943600              0.0005260        
 17      0.5942580              0.0001340        
 18      0.2269140              0.0000180        
 19      0.0901790             -0.0000030        
P   19
  1 110349.0000000             -0.0000010        
  2  26971.3000000             -0.0000090        
  3   8560.0700000             -0.0000570        
  4   3248.8000000             -0.0002660        
  5   1389.4100000             -0.0010230        
  6    643.0430000             -0.0034260        
  7    314.0050000             -0.0101780        
  8    159.4890000             -0.0266840        
  9     83.6662000             -0.0590440        
 10     45.1574000             -0.1036450        
 11     24.9630000             -0.1371860        
 12     14.0043000             -0.0980300        
 13      7.8326700              0.0782840        
 14      4.2841000              0.3068960        
 15      2.2890100              0.4020910        
 16      1.1943600              0.2839960        
 17      0.5942580              0.0869280        
 18      0.2269140              0.0058540        
 19      0.0901790             -0.0000370        
P   18
  1  26971.3000000              0.0000020        
  2   8560.0700000              0.0000110        
  3   3248.8000000              0.0000490        
  4   1389.4100000              0.0001900        
  5    643.0430000              0.0006280        
  6    314.0050000              0.0018980        
  7    159.4890000              0.0049050        
  8     83.6662000              0.0110910        
  9     45.1574000              0.0191100        
 10     24.9630000              0.0264040        
 11     14.0043000              0.0170480        
 12      7.8326700             -0.0167770        
 13      4.2841000             -0.0722810        
 14      2.2890100             -0.0888340        
 15      1.1943600             -0.0855010        
 16      0.5942580              0.0514770        
 17      0.2269140              0.3482630        
 18      0.0901790              0.5207130        
P   18
  1  26971.3000000              0.0000030        
  2   8560.0700000              0.0000190        
  3   3248.8000000              0.0000840        
  4   1389.4100000              0.0003350        
  5    643.0430000              0.0010780        
  6    314.0050000              0.0033420        
  7    159.4890000              0.0084110        
  8     83.6662000              0.0195690        
  9     45.1574000              0.0325670        
 10     24.9630000              0.0477820        
 11     14.0043000              0.0279570        
 12      7.8326700             -0.0245300        
 13      4.2841000             -0.1464900        
 14      2.2890100             -0.1492570        
 15      1.1943600             -0.1363180        
 16      0.5942580              0.1989520        
 17      0.2269140              0.6520570        
 18      0.0901790              0.3101190        
P   19
  1 110349.0000000             -0.0000010        
  2  26971.3000000             -0.0000070        
  3   8560.0700000             -0.0000440        
  4   3248.8000000             -0.0001870        
  5   1389.4100000             -0.0007860        
  6    643.0430000             -0.0024190        
  7    314.0050000             -0.0078320        
  8    159.4890000             -0.0188920        
  9     83.6662000             -0.0460950        
 10     45.1574000             -0.0721870        
 11     24.9630000             -0.1187060        
 12     14.0043000             -0.0688450        
 13      7.8326700              0.0612550        
 14      4.2841000              0.5482940        
 15      2.2890100              0.2972820        
 16      1.1943600             -0.2716010        
 17      0.5942580             -1.0379400        
 18      0.2269140              0.2883290        
 19      0.0901790              0.5829240        
P   19
  1 110349.0000000              0.0000010        
  2  26971.3000000              0.0000090        
  3   8560.0700000              0.0000470        
  4   3248.8000000              0.0002580        
  5   1389.4100000              0.0008400        
  6    643.0430000              0.0033290        
  7    314.0050000              0.0084050        
  8    159.4890000              0.0262100        
  9     83.6662000              0.0483260        
 10     45.1574000              0.1064260        
 11     24.9630000              0.1112430        
 12     14.0043000              0.2196340        
 13      7.8326700             -0.3785060        
 14      4.2841000             -0.8342830        
 15      2.2890100              0.0346510        
 16      1.1943600              1.9667590        
 17      0.5942580             -1.2248450        
 18      0.2269140             -0.7377320        
 19      0.0901790              0.9916440        
P   19
  1 110349.0000000              0.0000010        
  2  26971.3000000              0.0000110        
  3   8560.0700000              0.0000750        
  4   3248.8000000              0.0003070        
  5   1389.4100000              0.0013430        
  6    643.0430000              0.0039790        
  7    314.0050000              0.0135080        
  8    159.4890000              0.0315180        
  9     83.6662000              0.0812240        
 10     45.1574000              0.1177440        
 11     24.9630000              0.2545370        
 12     14.0043000              0.2804660        
 13      7.8326700             -1.3817560        
 14      4.2841000             -0.5845020        
 15      2.2890100              2.8319550        
 16      1.1943600             -1.4030820        
 17      0.5942580             -1.0866400        
 18      0.2269140              1.8537790        
 19      0.0901790             -1.1119850        
P   1
  1      0.0357180              1.0000000        
D   11
  1    854.1223000              0.0001100        
  2    257.9496000              0.0010600        
  3    100.2319000              0.0061270        
  4     44.1762100              0.0242270        
  5     20.7847600              0.0705680        
  6     10.2275600              0.1554220        
  7      5.1512410              0.2464650        
  8      2.5908470              0.2908540        
  9      1.2858010              0.2696230        
 10      0.6253440              0.1932020        
 11      0.2939430              0.0928240        
D   11
  1    854.1223000              0.0001540        
  2    257.9496000              0.0014840        
  3    100.2319000              0.0086150        
  4     44.1762100              0.0343280        
  5     20.7847600              0.1026560        
  6     10.2275600              0.2346230        
  7      5.1512410              0.3308580        
  8      2.5908470              0.1664140        
  9      1.2858010             -0.2191500        
 10      0.6253440             -0.4171790        
 11      0.2939430             -0.2879880        
D   11
  1    854.1223000              0.0001680        
  2    257.9496000              0.0016860        
  3    100.2319000              0.0095520        
  4     44.1762100              0.0391690        
  5     20.7847600              0.1185400        
  6     10.2275600              0.3060170        
  7      5.1512410              0.2800330        
  8      2.5908470             -0.3570440        
  9      1.2858010             -0.5566930        
 10      0.6253440             -0.0034070        
 11      0.2939430              0.5550480        
D   11
  1    854.1223000              0.0002020        
  2    257.9496000              0.0022920        
  3    100.2319000              0.0119480        
  4     44.1762100              0.0534890        
  5     20.7847600              0.1599570        
  6     10.2275600              0.4633290        
  7      5.1512410              0.0018920        
  8      2.5908470             -0.9592480        
  9      1.2858010              0.1085530        
 10      0.6253440              0.9818850        
 11      0.2939430             -0.3019870        
D   11
  1    854.1223000             -0.0003210        
  2    257.9496000             -0.0028130        
  3    100.2319000             -0.0180280        
  4     44.1762100             -0.0679850        
  5     20.7847600             -0.2814680        
  6     10.2275600             -0.6396470        
  7      5.1512410              1.0829690        
  8      2.5908470              0.4414690        
  9      1.2858010             -1.6892300        
 10      0.6253440              0.9011120        
 11      0.2939430              0.6121440        
D   1
  1      0.1289970              1.0000000        
F   1
  1     12.1669000              1.0000000        
F   1
  1      4.3915000              1.0000000        
F   1
  1      1.5850000              1.0000000        
F   1
  1      0.5721000              1.0000000        
G   1
  1      9.6299000              1.0000000        
G   1
  1      3.3924000              1.0000000        
G   1
  1      1.1951000              1.0000000        
H   1
  1      7.4738000              1.0000000        
H   1
  1      2.4250000              1.0000000        
I   1
  1      5.5487000              1.0000000        


name: cc-pV5Z-NR MP2 Fitting
description: MP2 auxiliary basis for use with cc-pV5Z-NR AO basis set
elt: Sc
data:
SCANDIUM
S   1
  1    228.5930000              1.0000000        
S   1
  1    105.6560000              1.0000000        
S   1
  1     52.1820000              1.0000000        
S   1
  1     22.6151000              1.0000000        
S   1
  1      8.1851300              1.0000000        
S   1
  1      2.7557900              1.0000000        
S   1
  1      1.6842100              1.0000000        
S   1
  1      1.0342000              1.0000000        
S   1
  1      0.5652380              1.0000000        
S   1
  1      0.2622400              1.0000000        
S   1
  1      0.1529780              1.0000000        
S   1
  1      0.0844840              1.0000000        
S   1
  1      0.0472720              1.0000000        
P   1
  1     89.5102000              1.0000000        
P   1
  1     38.2945000              1.0000000        
P   1
  1     16.7646000              1.0000000        
P   1
  1      7.5632100              1.0000000        
P   1
  1      2.5916300              1.0000000        
P   1
  1      1.4429200              1.0000000        
P   1
  1      1.0418700              1.0000000        
P   1
  1      0.6993540              1.0000000        
P   1
  1      0.3389220              1.0000000        
P   1
  1      0.1755120              1.0000000        
P   1
  1      0.0968660              1.0000000        
P   1
  1      0.0500370              1.0000000        
D   1
  1     30.1125000              1.0000000        
D   1
  1     14.0774000              1.0000000        
D   1
  1      5.7922400              1.0000000        
D   1
  1      2.4811100              1.0000000        
D   1
  1      1.6445800              1.0000000        
D   1
  1      0.7354520              1.0000000        
D   1
  1      0.4355810              1.0000000        
D   1
  1      0.2247210              1.0000000        
D   1
  1      0.1322840              1.0000000        
D   1
  1      0.0822010              1.0000000        
D   1
  1      0.0402500              1.0000000        
F   1
  1     25.3434000              1.0000000        
F   1
  1     11.6946000              1.0000000        
F   1
  1      5.4440000              1.0000000        
F   1
  1      3.2862100              1.0000000        
F   1
  1      1.5018800              1.0000000        
F   1
  1      0.9801550              1.0000000        
F   1
  1      0.4249380              1.0000000        
F   1
  1      0.2828750              1.0000000        
F   1
  1      0.1236490              1.0000000        
F   1
  1      0.0644760              1.0000000        
G   1
  1     15.6655000              1.0000000        
G   1
  1      6.4122700              1.0000000        
G   1
  1      3.0397200              1.0000000        
G   1
  1      1.9018000              1.0000000        
G   1
  1      0.8199130              1.0000000        
G   1
  1      0.5350670              1.0000000        
G   1
  1      0.2266020              1.0000000        
G   1
  1      0.1170540              1.0000000        
G   1
  1      0.0642340              1.0000000        
H   1
  1      8.4046100              1.0000000        
H   1
  1      3.4889000              1.0000000        
H   1
  1      1.4124000              1.0000000        
H   1
  1      0.7230170              1.0000000        
H   1
  1      0.4023960              1.0000000        
H   1
  1      0.1647560              1.0000000        
I   1
  1      6.6768200              1.0000000        
I   1
  1      2.6880000              1.0000000        
I   1
  1      1.0378700              1.0000000        
I   1
  1      0.6330330              1.0000000        
I   1
  1      0.2856600              1.0000000        
K   1
  1      4.5106000              1.0000000        
K   1
  1      2.0090200              1.0000000        
K   1
  1      1.3020100              1.0000000        
K   1
  1      0.5109810              1.0000000        
L   1
  1      1.7649100              1.0000000        
L   1
  1      0.8174360              1.0000000        


name: cc-pV5Z-NR MP2 Fitting
description: MP2 auxiliary basis for use with cc-pV5Z-NR AO basis set
elt: Ti
data:
TITANIUM
S   1
  1    245.7080000              1.0000000        
S   1
  1    119.8290000              1.0000000        
S   1
  1     57.5570000              1.0000000        
S   1
  1     24.3454000              1.0000000        
S   1
  1      9.3231600              1.0000000        
S   1
  1      3.1003500              1.0000000        
S   1
  1      1.7649400              1.0000000        
S   1
  1      0.8783330              1.0000000        
S   1
  1      0.5155950              1.0000000        
S   1
  1      0.2695470              1.0000000        
S   1
  1      0.1422140              1.0000000        
S   1
  1      0.0756380              1.0000000        
S   1
  1      0.0443810              1.0000000        
P   1
  1     93.6120000              1.0000000        
P   1
  1     43.5094000              1.0000000        
P   1
  1     18.8788000              1.0000000        
P   1
  1      7.8155300              1.0000000        
P   1
  1      2.7571700              1.0000000        
P   1
  1      1.5039100              1.0000000        
P   1
  1      0.9222230              1.0000000        
P   1
  1      0.6661050              1.0000000        
P   1
  1      0.3942750              1.0000000        
P   1
  1      0.2025560              1.0000000        
P   1
  1      0.1131190              1.0000000        
P   1
  1      0.0544830              1.0000000        
D   1
  1     31.3895000              1.0000000        
D   1
  1     14.4215000              1.0000000        
D   1
  1      5.9473500              1.0000000        
D   1
  1      2.6083900              1.0000000        
D   1
  1      1.8612800              1.0000000        
D   1
  1      0.7957810              1.0000000        
D   1
  1      0.4129310              1.0000000        
D   1
  1      0.2424610              1.0000000        
D   1
  1      0.1255810              1.0000000        
D   1
  1      0.0652700              1.0000000        
D   1
  1      0.0276990              1.0000000        
F   1
  1     27.3085000              1.0000000        
F   1
  1     11.8592000              1.0000000        
F   1
  1      5.5023700              1.0000000        
F   1
  1      3.4998900              1.0000000        
F   1
  1      1.7525700              1.0000000        
F   1
  1      1.0479900              1.0000000        
F   1
  1      0.5148330              1.0000000        
F   1
  1      0.2783490              1.0000000        
F   1
  1      0.1627010              1.0000000        
F   1
  1      0.0845540              1.0000000        
G   1
  1     16.6899000              1.0000000        
G   1
  1      6.5975900              1.0000000        
G   1
  1      3.2963100              1.0000000        
G   1
  1      1.9962800              1.0000000        
G   1
  1      1.0361200              1.0000000        
G   1
  1      0.5905930              1.0000000        
G   1
  1      0.3120720              1.0000000        
G   1
  1      0.1447340              1.0000000        
G   1
  1      0.0929420              1.0000000        
H   1
  1      9.0591700              1.0000000        
H   1
  1      4.8383700              1.0000000        
H   1
  1      2.1668800              1.0000000        
H   1
  1      1.1445900              1.0000000        
H   1
  1      0.6253810              1.0000000        
H   1
  1      0.2583160              1.0000000        
I   1
  1      7.1498700              1.0000000        
I   1
  1      3.7016600              1.0000000        
I   1
  1      1.8009700              1.0000000        
I   1
  1      1.1142000              1.0000000        
I   1
  1      0.4423240              1.0000000        
K   1
  1      4.6411100              1.0000000        
K   1
  1      2.5577300              1.0000000        
K   1
  1      1.3864500              1.0000000        
K   1
  1      0.7430420              1.0000000        
L   1
  1      2.7794500              1.0000000        
L   1
  1      1.4069300              1.0000000        


name: cc-pV5Z-NR MP2 Fitting
description: MP2 auxiliary basis for use with cc-pV5Z-NR AO basis set
elt: V
data:
VANADIUM
S   1
  1    294.8300000              1.0000000        
S   1
  1    152.4960000              1.0000000        
S   1
  1     68.3160000              1.0000000        
S   1
  1     27.9552000              1.0000000        
S   1
  1     10.7223000              1.0000000        
S   1
  1      4.6113400              1.0000000        
S   1
  1      2.4806700              1.0000000        
S   1
  1      1.2982500              1.0000000        
S   1
  1      0.6571330              1.0000000        
S   1
  1      0.3741100              1.0000000        
S   1
  1      0.1849600              1.0000000        
S   1
  1      0.0961190              1.0000000        
S   1
  1      0.0587170              1.0000000        
P   1
  1    119.4120000              1.0000000        
P   1
  1     53.8088000              1.0000000        
P   1
  1     20.9444000              1.0000000        
P   1
  1      9.2701600              1.0000000        
P   1
  1      3.6502800              1.0000000        
P   1
  1      1.6550800              1.0000000        
P   1
  1      0.9771660              1.0000000        
P   1
  1      0.7021280              1.0000000        
P   1
  1      0.5098420              1.0000000        
P   1
  1      0.2220960              1.0000000        
P   1
  1      0.1154290              1.0000000        
P   1
  1      0.0629740              1.0000000        
D   1
  1     32.1511000              1.0000000        
D   1
  1     15.2075000              1.0000000        
D   1
  1      7.0264300              1.0000000        
D   1
  1      4.3947000              1.0000000        
D   1
  1      2.6847600              1.0000000        
D   1
  1      1.3694300              1.0000000        
D   1
  1      0.8044410              1.0000000        
D   1
  1      0.4383160              1.0000000        
D   1
  1      0.2103520              1.0000000        
D   1
  1      0.1286580              1.0000000        
D   1
  1      0.0667280              1.0000000        
F   1
  1     37.7233000              1.0000000        
F   1
  1     12.3598000              1.0000000        
F   1
  1      6.7345300              1.0000000        
F   1
  1      3.8828000              1.0000000        
F   1
  1      2.1931800              1.0000000        
F   1
  1      1.1142600              1.0000000        
F   1
  1      0.6509980              1.0000000        
F   1
  1      0.3111540              1.0000000        
F   1
  1      0.1613310              1.0000000        
F   1
  1      0.0860890              1.0000000        
G   1
  1     24.6580000              1.0000000        
G   1
  1      9.1963100              1.0000000        
G   1
  1      5.3777900              1.0000000        
G   1
  1      3.3529700              1.0000000        
G   1
  1      2.1661100              1.0000000        
G   1
  1      1.0992700              1.0000000        
G   1
  1      0.4705120              1.0000000        
G   1
  1      0.2879430              1.0000000        
G   1
  1      0.1356520              1.0000000        
H   1
  1     12.0383000              1.0000000        
H   1
  1      6.3089000              1.0000000        
H   1
  1      2.8028500              1.0000000        
H   1
  1      1.5443100              1.0000000        
H   1
  1      0.8416840              1.0000000        
H   1
  1      0.3494730              1.0000000        
I   1
  1      8.4503400              1.0000000        
I   1
  1      4.6613100              1.0000000        
I   1
  1      1.9140400              1.0000000        
I   1
  1      0.9502380              1.0000000        
I   1
  1      0.5583180              1.0000000        
K   1
  1      8.4126200              1.0000000        
K   1
  1      3.7763400              1.0000000        
K   1
  1      2.4141200              1.0000000        
K   1
  1      1.0633700              1.0000000        
L   1
  1      4.2322700              1.0000000        
L   1
  1      2.1388100              1.0000000        


name: cc-pV5Z-NR MP2 Fitting
description: MP2 auxiliary basis for use with cc-pV5Z-NR AO basis set
elt: Cr
data:
CHROMIUM
S   1
  1    345.7490000              1.0000000        
S   1
  1    173.4600000              1.0000000        
S   1
  1     76.3031000              1.0000000        
S   1
  1     31.9512000              1.0000000        
S   1
  1     11.9227000              1.0000000        
S   1
  1      5.4082900              1.0000000        
S   1
  1      3.2655400              1.0000000        
S   1
  1      1.7980400              1.0000000        
S   1
  1      0.7273280              1.0000000        
S   1
  1      0.4928070              1.0000000        
S   1
  1      0.2462630              1.0000000        
S   1
  1      0.1400430              1.0000000        
S   1
  1      0.0713240              1.0000000        
P   1
  1    142.4390000              1.0000000        
P   1
  1     59.9406000              1.0000000        
P   1
  1     23.6255000              1.0000000        
P   1
  1     10.3934000              1.0000000        
P   1
  1      4.3221600              1.0000000        
P   1
  1      1.8586600              1.0000000        
P   1
  1      1.1959800              1.0000000        
P   1
  1      0.8228320              1.0000000        
P   1
  1      0.5636810              1.0000000        
P   1
  1      0.2538130              1.0000000        
P   1
  1      0.1313080              1.0000000        
P   1
  1      0.0669510              1.0000000        
D   1
  1     32.7139000              1.0000000        
D   1
  1     15.8415000              1.0000000        
D   1
  1      7.8138700              1.0000000        
D   1
  1      4.9436800              1.0000000        
D   1
  1      2.7326200              1.0000000        
D   1
  1      1.7733400              1.0000000        
D   1
  1      0.8089420              1.0000000        
D   1
  1      0.5466710              1.0000000        
D   1
  1      0.2208630              1.0000000        
D   1
  1      0.1556800              1.0000000        
D   1
  1      0.0777730              1.0000000        
F   1
  1     43.8090000              1.0000000        
F   1
  1     13.9163000              1.0000000        
F   1
  1      7.2145000              1.0000000        
F   1
  1      4.1983200              1.0000000        
F   1
  1      2.5598500              1.0000000        
F   1
  1      1.1717100              1.0000000        
F   1
  1      0.7417190              1.0000000        
F   1
  1      0.3385600              1.0000000        
F   1
  1      0.1779650              1.0000000        
F   1
  1      0.0865690              1.0000000        
G   1
  1     32.3600000              1.0000000        
G   1
  1     12.3382000              1.0000000        
G   1
  1      6.7983000              1.0000000        
G   1
  1      4.3248200              1.0000000        
G   1
  1      1.9822700              1.0000000        
G   1
  1      1.1777800              1.0000000        
G   1
  1      0.5355170              1.0000000        
G   1
  1      0.2953820              1.0000000        
G   1
  1      0.1502290              1.0000000        
H   1
  1     15.3952000              1.0000000        
H   1
  1      8.0761000              1.0000000        
H   1
  1      3.4385100              1.0000000        
H   1
  1      1.9790700              1.0000000        
H   1
  1      1.0535800              1.0000000        
H   1
  1      0.4305510              1.0000000        
I   1
  1     10.1607000              1.0000000        
I   1
  1      5.6370800              1.0000000        
I   1
  1      2.5652000              1.0000000        
I   1
  1      1.6414200              1.0000000        
I   1
  1      0.7274100              1.0000000        
K   1
  1     10.6125000              1.0000000        
K   1
  1      4.5840100              1.0000000        
K   1
  1      2.6706500              1.0000000        
K   1
  1      1.3073900              1.0000000        
L   1
  1      5.4194300              1.0000000        
L   1
  1      2.8851100              1.0000000        


name: cc-pV5Z-NR MP2 Fitting
description: MP2 auxiliary basis for use with cc-pV5Z-NR AO basis set
elt: Mn
data:
MANGANESE
S   1
  1    382.4970000              1.0000000        
S   1
  1    195.3480000              1.0000000        
S   1
  1     83.2642000              1.0000000        
S   1
  1     34.9383000              1.0000000        
S   1
  1     12.9203000              1.0000000        
S   1
  1      6.0208100              1.0000000        
S   1
  1      3.3670000              1.0000000        
S   1
  1      1.8517000              1.0000000        
S   1
  1      0.7197120              1.0000000        
S   1
  1      0.5395300              1.0000000        
S   1
  1      0.2311770              1.0000000        
S   1
  1      0.1485010              1.0000000        
S   1
  1      0.0753130              1.0000000        
P   1
  1    150.3640000              1.0000000        
P   1
  1     64.9717000              1.0000000        
P   1
  1     24.9382000              1.0000000        
P   1
  1     10.9290000              1.0000000        
P   1
  1      5.1832500              1.0000000        
P   1
  1      2.1282400              1.0000000        
P   1
  1      1.3154600              1.0000000        
P   1
  1      0.8738670              1.0000000        
P   1
  1      0.5936140              1.0000000        
P   1
  1      0.2759810              1.0000000        
P   1
  1      0.1347950              1.0000000        
P   1
  1      0.0694290              1.0000000        
D   1
  1     33.7152000              1.0000000        
D   1
  1     17.1150000              1.0000000        
D   1
  1      8.9306600              1.0000000        
D   1
  1      5.1600000              1.0000000        
D   1
  1      2.8184000              1.0000000        
D   1
  1      1.8037500              1.0000000        
D   1
  1      0.7237970              1.0000000        
D   1
  1      0.5447030              1.0000000        
D   1
  1      0.2376180              1.0000000        
D   1
  1      0.1599580              1.0000000        
D   1
  1      0.0822370              1.0000000        
F   1
  1     52.2649000              1.0000000        
F   1
  1     16.1420000              1.0000000        
F   1
  1      9.0036000              1.0000000        
F   1
  1      4.4984200              1.0000000        
F   1
  1      2.8521400              1.0000000        
F   1
  1      1.3385400              1.0000000        
F   1
  1      0.8269030              1.0000000        
F   1
  1      0.3846820              1.0000000        
F   1
  1      0.1844180              1.0000000        
F   1
  1      0.0908160              1.0000000        
G   1
  1     40.7104000              1.0000000        
G   1
  1     15.1368000              1.0000000        
G   1
  1      7.1765900              1.0000000        
G   1
  1      4.3681800              1.0000000        
G   1
  1      2.5322000              1.0000000        
G   1
  1      1.2261700              1.0000000        
G   1
  1      0.6526750              1.0000000        
G   1
  1      0.3038220              1.0000000        
G   1
  1      0.1549830              1.0000000        
H   1
  1     17.8556000              1.0000000        
H   1
  1     10.1186000              1.0000000        
H   1
  1      4.7352500              1.0000000        
H   1
  1      2.9502800              1.0000000        
H   1
  1      1.3430600              1.0000000        
H   1
  1      0.5328350              1.0000000        
I   1
  1     12.3464000              1.0000000        
I   1
  1      6.6767900              1.0000000        
I   1
  1      3.0423500              1.0000000        
I   1
  1      1.8182300              1.0000000        
I   1
  1      0.8878140              1.0000000        
K   1
  1     11.3038000              1.0000000        
K   1
  1      5.1812900              1.0000000        
K   1
  1      3.0282500              1.0000000        
K   1
  1      1.5617300              1.0000000        
L   1
  1      6.1903400              1.0000000        
L   1
  1      3.4789600              1.0000000        


name: cc-pV5Z-NR MP2 Fitting
description: MP2 auxiliary basis for use with cc-pV5Z-NR AO basis set
elt: Fe
data:
IRON
S   1
  1    411.1890000              1.0000000        
S   1
  1    219.3440000              1.0000000        
S   1
  1     92.2630000              1.0000000        
S   1
  1     38.9379000              1.0000000        
S   1
  1     14.7748000              1.0000000        
S   1
  1      6.7810200              1.0000000        
S   1
  1      3.6440600              1.0000000        
S   1
  1      1.9916000              1.0000000        
S   1
  1      0.9062710              1.0000000        
S   1
  1      0.5038520              1.0000000        
S   1
  1      0.2307760              1.0000000        
S   1
  1      0.1158460              1.0000000        
S   1
  1      0.0784530              1.0000000        
P   1
  1    158.3620000              1.0000000        
P   1
  1     70.9705000              1.0000000        
P   1
  1     27.6364000              1.0000000        
P   1
  1     11.7256000              1.0000000        
P   1
  1      5.9769000              1.0000000        
P   1
  1      2.7397800              1.0000000        
P   1
  1      1.4854200              1.0000000        
P   1
  1      0.8991700              1.0000000        
P   1
  1      0.6146010              1.0000000        
P   1
  1      0.2896910              1.0000000        
P   1
  1      0.1302510              1.0000000        
P   1
  1      0.0703730              1.0000000        
D   1
  1     36.9160000              1.0000000        
D   1
  1     18.3114000              1.0000000        
D   1
  1      9.2354900              1.0000000        
D   1
  1      5.7967600              1.0000000        
D   1
  1      2.9828500              1.0000000        
D   1
  1      1.9826100              1.0000000        
D   1
  1      0.8107060              1.0000000        
D   1
  1      0.5026580              1.0000000        
D   1
  1      0.2408840              1.0000000        
D   1
  1      0.1231920              1.0000000        
D   1
  1      0.0569370              1.0000000        
F   1
  1     56.8614000              1.0000000        
F   1
  1     17.4576000              1.0000000        
F   1
  1      9.6044400              1.0000000        
F   1
  1      4.9815200              1.0000000        
F   1
  1      3.0770800              1.0000000        
F   1
  1      1.5438700              1.0000000        
F   1
  1      0.8826790              1.0000000        
F   1
  1      0.4397560              1.0000000        
F   1
  1      0.2150220              1.0000000        
F   1
  1      0.0875840              1.0000000        
G   1
  1     44.7336000              1.0000000        
G   1
  1     16.8902000              1.0000000        
G   1
  1      7.9774800              1.0000000        
G   1
  1      4.7210700              1.0000000        
G   1
  1      2.9566300              1.0000000        
G   1
  1      1.4439600              1.0000000        
G   1
  1      0.7932250              1.0000000        
G   1
  1      0.3591730              1.0000000        
G   1
  1      0.1873470              1.0000000        
H   1
  1     20.0636000              1.0000000        
H   1
  1     10.9289000              1.0000000        
H   1
  1      5.6673100              1.0000000        
H   1
  1      3.4618800              1.0000000        
H   1
  1      1.6017100              1.0000000        
H   1
  1      0.6319300              1.0000000        
I   1
  1     14.3505000              1.0000000        
I   1
  1      8.0563600              1.0000000        
I   1
  1      3.7834700              1.0000000        
I   1
  1      2.4641500              1.0000000        
I   1
  1      1.0992300              1.0000000        
K   1
  1     11.8214000              1.0000000        
K   1
  1      6.4062400              1.0000000        
K   1
  1      3.1970600              1.0000000        
K   1
  1      1.8816300              1.0000000        
L   1
  1      7.7814000              1.0000000        
L   1
  1      4.2495800              1.0000000        


name: cc-pV5Z-NR MP2 Fitting
description: MP2 auxiliary basis for use with cc-pV5Z-NR AO basis set
elt: Co
data:
COBALT
S   1
  1    432.1520000              1.0000000        
S   1
  1    225.9270000              1.0000000        
S   1
  1     99.2568000              1.0000000        
S   1
  1     44.1779000              1.0000000        
S   1
  1     15.2915000              1.0000000        
S   1
  1      7.1067700              1.0000000        
S   1
  1      3.7253800              1.0000000        
S   1
  1      2.0892300              1.0000000        
S   1
  1      1.0375200              1.0000000        
S   1
  1      0.5495140              1.0000000        
S   1
  1      0.2570860              1.0000000        
S   1
  1      0.1285150              1.0000000        
S   1
  1      0.0867490              1.0000000        
P   1
  1    164.3500000              1.0000000        
P   1
  1     74.9611000              1.0000000        
P   1
  1     30.5499000              1.0000000        
P   1
  1     12.8556000              1.0000000        
P   1
  1      6.8922000              1.0000000        
P   1
  1      3.2684800              1.0000000        
P   1
  1      1.6276200              1.0000000        
P   1
  1      1.0932500              1.0000000        
P   1
  1      0.6244240              1.0000000        
P   1
  1      0.3209090              1.0000000        
P   1
  1      0.1413560              1.0000000        
P   1
  1      0.0735480              1.0000000        
D   1
  1     42.1893000              1.0000000        
D   1
  1     20.1854000              1.0000000        
D   1
  1      9.9394300              1.0000000        
D   1
  1      6.1350100              1.0000000        
D   1
  1      3.2056900              1.0000000        
D   1
  1      2.0670700              1.0000000        
D   1
  1      0.9544640              1.0000000        
D   1
  1      0.5432800              1.0000000        
D   1
  1      0.2772830              1.0000000        
D   1
  1      0.1440420              1.0000000        
D   1
  1      0.0581040              1.0000000        
F   1
  1     66.2260000              1.0000000        
F   1
  1     19.0702000              1.0000000        
F   1
  1     11.0038000              1.0000000        
F   1
  1      5.5802400              1.0000000        
F   1
  1      3.4573500              1.0000000        
F   1
  1      1.7570400              1.0000000        
F   1
  1      0.9857360              1.0000000        
F   1
  1      0.5018100              1.0000000        
F   1
  1      0.2363370              1.0000000        
F   1
  1      0.1089680              1.0000000        
G   1
  1     47.4907000              1.0000000        
G   1
  1     18.4226000              1.0000000        
G   1
  1      8.9498000              1.0000000        
G   1
  1      4.9341300              1.0000000        
G   1
  1      3.4336100              1.0000000        
G   1
  1      1.6428600              1.0000000        
G   1
  1      0.9322760              1.0000000        
G   1
  1      0.3998840              1.0000000        
G   1
  1      0.2039920              1.0000000        
H   1
  1     22.0873000              1.0000000        
H   1
  1     11.4735000              1.0000000        
H   1
  1      6.1211300              1.0000000        
H   1
  1      3.4874800              1.0000000        
H   1
  1      1.8250600              1.0000000        
H   1
  1      0.7235970              1.0000000        
I   1
  1     15.8912000              1.0000000        
I   1
  1      9.1865300              1.0000000        
I   1
  1      4.3933000              1.0000000        
I   1
  1      2.8830600              1.0000000        
I   1
  1      1.2959900              1.0000000        
K   1
  1     12.6816000              1.0000000        
K   1
  1      7.1433900              1.0000000        
K   1
  1      3.2655400              1.0000000        
K   1
  1      2.0462700              1.0000000        
L   1
  1      9.1235000              1.0000000        
L   1
  1      4.9821500              1.0000000        


name: cc-pV5Z-NR MP2 Fitting
description: MP2 auxiliary basis for use with cc-pV5Z-NR AO basis set
elt: Ni
data:
NICKEL
S   1
  1    457.0840000              1.0000000        
S   1
  1    239.8970000              1.0000000        
S   1
  1    108.2470000              1.0000000        
S   1
  1     49.1719000              1.0000000        
S   1
  1     17.8895000              1.0000000        
S   1
  1      7.5043000              1.0000000        
S   1
  1      3.9649600              1.0000000        
S   1
  1      2.1186600              1.0000000        
S   1
  1      1.1123600              1.0000000        
S   1
  1      0.5665550              1.0000000        
S   1
  1      0.2763600              1.0000000        
S   1
  1      0.1505550              1.0000000        
S   1
  1      0.0904040              1.0000000        
P   1
  1    176.5170000              1.0000000        
P   1
  1     79.1721000              1.0000000        
P   1
  1     32.8068000              1.0000000        
P   1
  1     14.4264000              1.0000000        
P   1
  1      8.3333900              1.0000000        
P   1
  1      3.4821500              1.0000000        
P   1
  1      1.6832300              1.0000000        
P   1
  1      1.2487600              1.0000000        
P   1
  1      0.6681630              1.0000000        
P   1
  1      0.3154830              1.0000000        
P   1
  1      0.1433670              1.0000000        
P   1
  1      0.0744960              1.0000000        
D   1
  1     46.2583000              1.0000000        
D   1
  1     23.1481000              1.0000000        
D   1
  1     10.9409000              1.0000000        
D   1
  1      7.1479400              1.0000000        
D   1
  1      3.3997400              1.0000000        
D   1
  1      2.3684300              1.0000000        
D   1
  1      1.0880100              1.0000000        
D   1
  1      0.5936540              1.0000000        
D   1
  1      0.3020930              1.0000000        
D   1
  1      0.1601660              1.0000000        
D   1
  1      0.0616970              1.0000000        
F   1
  1     71.5258000              1.0000000        
F   1
  1     21.2206000              1.0000000        
F   1
  1     12.7264000              1.0000000        
F   1
  1      6.1960100              1.0000000        
F   1
  1      4.1926100              1.0000000        
F   1
  1      1.9658000              1.0000000        
F   1
  1      1.1181900              1.0000000        
F   1
  1      0.5628310              1.0000000        
F   1
  1      0.2830350              1.0000000        
F   1
  1      0.1310830              1.0000000        
G   1
  1     54.4630000              1.0000000        
G   1
  1     20.4926000              1.0000000        
G   1
  1      9.7906000              1.0000000        
G   1
  1      5.1728100              1.0000000        
G   1
  1      3.6255800              1.0000000        
G   1
  1      1.7112200              1.0000000        
G   1
  1      1.0577500              1.0000000        
G   1
  1      0.4613740              1.0000000        
G   1
  1      0.2379340              1.0000000        
H   1
  1     25.1598000              1.0000000        
H   1
  1     13.4545000              1.0000000        
H   1
  1      6.6873800              1.0000000        
H   1
  1      3.6524600              1.0000000        
H   1
  1      2.1000100              1.0000000        
H   1
  1      0.8585480              1.0000000        
I   1
  1     16.9962000              1.0000000        
I   1
  1      9.8992600              1.0000000        
I   1
  1      5.0896500              1.0000000        
I   1
  1      3.4040600              1.0000000        
I   1
  1      1.5656200              1.0000000        
K   1
  1     13.9590000              1.0000000        
K   1
  1      8.0774900              1.0000000        
K   1
  1      3.4781400              1.0000000        
K   1
  1      2.1695900              1.0000000        
L   1
  1     10.7906000              1.0000000        
L   1
  1      5.8820100              1.0000000        


name: cc-pV5Z-NR MP2 Fitting
description: MP2 auxiliary basis for use with cc-pV5Z-NR AO basis set
elt: Cu
data:
COPPER
S   1
  1    472.2810000              1.0000000        
S   1
  1    248.1180000              1.0000000        
S   1
  1    116.4960000              1.0000000        
S   1
  1     52.3941000              1.0000000        
S   1
  1     20.8846000              1.0000000        
S   1
  1      8.7302600              1.0000000        
S   1
  1      4.2917600              1.0000000        
S   1
  1      2.2133700              1.0000000        
S   1
  1      1.2870200              1.0000000        
S   1
  1      0.5878540              1.0000000        
S   1
  1      0.3356620              1.0000000        
S   1
  1      0.1663080              1.0000000        
S   1
  1      0.0939550              1.0000000        
P   1
  1    183.5390000              1.0000000        
P   1
  1     82.1483000              1.0000000        
P   1
  1     36.7200000              1.0000000        
P   1
  1     15.7580000              1.0000000        
P   1
  1      9.8052100              1.0000000        
P   1
  1      3.9165600              1.0000000        
P   1
  1      1.7510300              1.0000000        
P   1
  1      1.3812400              1.0000000        
P   1
  1      0.7155100              1.0000000        
P   1
  1      0.3365950              1.0000000        
P   1
  1      0.1504370              1.0000000        
P   1
  1      0.0771550              1.0000000        
D   1
  1     49.6498000              1.0000000        
D   1
  1     25.9773000              1.0000000        
D   1
  1     11.8487000              1.0000000        
D   1
  1      8.2504800              1.0000000        
D   1
  1      3.7146000              1.0000000        
D   1
  1      2.6450800              1.0000000        
D   1
  1      1.1800600              1.0000000        
D   1
  1      0.6411530              1.0000000        
D   1
  1      0.3231640              1.0000000        
D   1
  1      0.1619020              1.0000000        
D   1
  1      0.0617210              1.0000000        
F   1
  1     74.1325000              1.0000000        
F   1
  1     22.9342000              1.0000000        
F   1
  1     13.6253000              1.0000000        
F   1
  1      6.6924800              1.0000000        
F   1
  1      4.3901000              1.0000000        
F   1
  1      2.1695500              1.0000000        
F   1
  1      1.1436500              1.0000000        
F   1
  1      0.6267110              1.0000000        
F   1
  1      0.2964070              1.0000000        
F   1
  1      0.1453020              1.0000000        
G   1
  1     57.0703000              1.0000000        
G   1
  1     21.4792000              1.0000000        
G   1
  1     10.8470000              1.0000000        
G   1
  1      5.4039700              1.0000000        
G   1
  1      3.9526900              1.0000000        
G   1
  1      1.7669900              1.0000000        
G   1
  1      1.1017600              1.0000000        
G   1
  1      0.5223930              1.0000000        
G   1
  1      0.2422950              1.0000000        
H   1
  1     26.7010000              1.0000000        
H   1
  1     14.5002000              1.0000000        
H   1
  1      7.4667800              1.0000000        
H   1
  1      3.9377600              1.0000000        
H   1
  1      2.3280300              1.0000000        
H   1
  1      0.9419080              1.0000000        
I   1
  1     18.7476000              1.0000000        
I   1
  1     10.6236000              1.0000000        
I   1
  1      5.6905300              1.0000000        
I   1
  1      3.4880000              1.0000000        
I   1
  1      1.7430300              1.0000000        
K   1
  1     14.7371000              1.0000000        
K   1
  1      8.7099300              1.0000000        
K   1
  1      3.7086600              1.0000000        
K   1
  1      2.2288700              1.0000000        
L   1
  1     11.7993000              1.0000000        
L   1
  1      6.5989000              1.0000000        


name: cc-pV5Z-NR MP2 Fitting
description: MP2 auxiliary basis for use with cc-pV5Z-NR AO basis set
elt: Zn
data:
ZINC
S   1
  1    495.3420000              1.0000000        
S   1
  1    266.1960000              1.0000000        
S   1
  1    125.5760000              1.0000000        
S   1
  1     56.4411000              1.0000000        
S   1
  1     21.3276000              1.0000000        
S   1
  1      9.4360300              1.0000000        
S   1
  1      4.5403600              1.0000000        
S   1
  1      2.2146600              1.0000000        
S   1
  1      1.1239600              1.0000000        
S   1
  1      0.5526220              1.0000000        
S   1
  1      0.2746910              1.0000000        
S   1
  1      0.1426240              1.0000000        
S   1
  1      0.0792470              1.0000000        
P   1
  1    191.6730000              1.0000000        
P   1
  1     86.2505000              1.0000000        
P   1
  1     39.6372000              1.0000000        
P   1
  1     16.3146000              1.0000000        
P   1
  1     10.5730000              1.0000000        
P   1
  1      4.0878000              1.0000000        
P   1
  1      2.1136900              1.0000000        
P   1
  1      1.4062000              1.0000000        
P   1
  1      0.7610600              1.0000000        
P   1
  1      0.3319340              1.0000000        
P   1
  1      0.1653450              1.0000000        
P   1
  1      0.0835240              1.0000000        
D   1
  1     52.8541000              1.0000000        
D   1
  1     26.8722000              1.0000000        
D   1
  1     12.0337000              1.0000000        
D   1
  1      8.5666700              1.0000000        
D   1
  1      3.8380300              1.0000000        
D   1
  1      2.7923700              1.0000000        
D   1
  1      1.3244200              1.0000000        
D   1
  1      0.7058190              1.0000000        
D   1
  1      0.3925640              1.0000000        
D   1
  1      0.2010550              1.0000000        
D   1
  1      0.0651730              1.0000000        
F   1
  1     77.4909000              1.0000000        
F   1
  1     25.2613000              1.0000000        
F   1
  1     14.3196000              1.0000000        
F   1
  1      6.9338800              1.0000000        
F   1
  1      4.1395700              1.0000000        
F   1
  1      2.3100700              1.0000000        
F   1
  1      1.2554200              1.0000000        
F   1
  1      0.7282730              1.0000000        
F   1
  1      0.2980320              1.0000000        
F   1
  1      0.1548630              1.0000000        
G   1
  1     59.3076000              1.0000000        
G   1
  1     22.7846000              1.0000000        
G   1
  1     11.5287000              1.0000000        
G   1
  1      5.6287000              1.0000000        
G   1
  1      3.8478200              1.0000000        
G   1
  1      1.7835500              1.0000000        
G   1
  1      1.2002200              1.0000000        
G   1
  1      0.6002350              1.0000000        
G   1
  1      0.2518700              1.0000000        
H   1
  1     27.1088000              1.0000000        
H   1
  1     15.0903000              1.0000000        
H   1
  1      8.0012000              1.0000000        
H   1
  1      4.2747100              1.0000000        
H   1
  1      2.6022700              1.0000000        
H   1
  1      1.1176500              1.0000000        
I   1
  1     19.7157000              1.0000000        
I   1
  1     11.3479000              1.0000000        
I   1
  1      6.2861400              1.0000000        
I   1
  1      3.9062200              1.0000000        
I   1
  1      1.9630600              1.0000000        
K   1
  1     15.1143000              1.0000000        
K   1
  1      9.2949200              1.0000000        
K   1
  1      4.0489000              1.0000000        
K   1
  1      2.1191000              1.0000000        
L   1
  1     11.9970000              1.0000000        
L   1
  1      7.1986800              1.0000000        


name: cc-pV5Z-PP
description: N/A
elt: Y
data:
YTTRIUM
S   15
  1  14079.8000000              0.0000020        
  2   2247.3800000              0.0000120        
  3    520.2370000              0.0000550        
  4    150.8110000              0.0001820        
  5     24.5030000              0.0063950        
  6     15.2418000             -0.0507640        
  7      9.5008400              0.1584540        
  8      3.8237200             -0.3025540        
  9      2.2758600             -0.3335140        
 10      1.0644100              0.3230000        
 11      0.5855490              0.6589720        
 12      0.3053020              0.3425110        
 13      0.1209720              0.0313300        
 14      0.0663880             -0.0056260        
 15      0.0328380              0.0038640        
S   15
  1  14079.8000000             -0.0000010        
  2   2247.3800000             -0.0000040        
  3    520.2370000             -0.0000170        
  4    150.8110000             -0.0000630        
  5     24.5030000             -0.0018670        
  6     15.2418000              0.0154110        
  7      9.5008400             -0.0501630        
  8      3.8237200              0.1063820        
  9      2.2758600              0.1060530        
 10      1.0644100             -0.1261720        
 11      0.5855490             -0.2894070        
 12      0.3053020             -0.2983620        
 13      0.1209720              0.0703960        
 14      0.0663880              0.5421300        
 15      0.0328380              0.5063430        
S   15
  1  14079.8000000             -0.0000010        
  2   2247.3800000             -0.0000060        
  3    520.2370000             -0.0000390        
  4    150.8110000             -0.0000800        
  5     24.5030000             -0.0044970        
  6     15.2418000              0.0316780        
  7      9.5008400             -0.0959870        
  8      3.8237200              0.2168610        
  9      2.2758600              0.1488480        
 10      1.0644100             -0.1548790        
 11      0.5855490             -0.9680620        
 12      0.3053020             -0.1326710        
 13      0.1209720              1.9311600        
 14      0.0663880              0.0584030        
 15      0.0328380             -1.0476370        
S   15
  1  14079.8000000             -0.0000020        
  2   2247.3800000             -0.0000070        
  3    520.2370000             -0.0000750        
  4    150.8110000             -0.0000600        
  5     24.5030000             -0.0088600        
  6     15.2418000              0.0549640        
  7      9.5008400             -0.1555790        
  8      3.8237200              0.3733420        
  9      2.2758600              0.1832600        
 10      1.0644100             -0.2559760        
 11      0.5855490             -2.6856670        
 12      0.3053020              3.1169230        
 13      0.1209720              1.4891180        
 14      0.0663880             -3.8710430        
 15      0.0328380              1.1354790        
S   15
  1  14079.8000000              0.0000010        
  2   2247.3800000              0.0000200        
  3    520.2370000             -0.0000040        
  4    150.8110000              0.0004190        
  5     24.5030000             -0.0035840        
  6     15.2418000             -0.0088590        
  7      9.5008400              0.0927170        
  8      3.8237200             -0.2082400        
  9      2.2758600             -0.7040030        
 10      1.0644100              1.5832420        
 11      0.5855490              2.2439820        
 12      0.3053020             -6.5232510        
 13      0.1209720              7.7285540        
 14      0.0663880             -4.0430630        
 15      0.0328380             -1.8182600        
S   15
  1  14079.8000000              0.0000010        
  2   2247.3800000             -0.0000700        
  3    520.2370000              0.0002120        
  4    150.8110000             -0.0016450        
  5     24.5030000              0.0374170        
  6     15.2418000             -0.0982160        
  7      9.5008400             -0.0147960        
  8      3.8237200              0.1024510        
  9      2.2758600              2.4700340        
 10      1.0644100            -10.3553030        
 11      0.5855490             13.7413150        
 12      0.3053020             -7.1906790        
 13      0.1209720             -1.6873260        
 14      0.0663880              7.1160260        
 15      0.0328380             -7.0095890        
S   1
  1      0.0163780              1.0000000        
P   12
  1     77.9108000              0.0001380        
  2     13.7037000             -0.0025430        
  3      8.5560000              0.0399220        
  4      5.3433500             -0.0836390        
  5      3.1309600             -0.1096760        
  6      1.2481300              0.2329360        
  7      0.7057070              0.4155860        
  8      0.3920400              0.3493680        
  9      0.2128650              0.1423730        
 10      0.1070420              0.0206040        
 11      0.0543460              0.0016540        
 12      0.0277480              0.0004450        
P   12
  1     77.9108000             -0.0000440        
  2     13.7037000              0.0007800        
  3      8.5560000             -0.0125610        
  4      5.3433500              0.0277150        
  5      3.1309600              0.0321010        
  6      1.2481300             -0.0822140        
  7      0.7057070             -0.1470040        
  8      0.3920400             -0.1728880        
  9      0.2128650             -0.0159480        
 10      0.1070420              0.3279480        
 11      0.0543460              0.5086540        
 12      0.0277480              0.2731240        
P   12
  1     77.9108000             -0.0000870        
  2     13.7037000              0.0013570        
  3      8.5560000             -0.0263010        
  4      5.3433500              0.0568510        
  5      3.1309600              0.0832770        
  6      1.2481300             -0.1786520        
  7      0.7057070             -0.5462370        
  8      0.3920400             -0.3616030        
  9      0.2128650              1.1540840        
 10      0.1070420              0.6563890        
 11      0.0543460             -0.8183480        
 12      0.0277480             -0.3749600        
P   12
  1     77.9108000             -0.0001350        
  2     13.7037000              0.0025540        
  3      8.5560000             -0.0373320        
  4      5.3433500              0.0849530        
  5      3.1309600              0.0909480        
  6      1.2481300             -0.2654300        
  7      0.7057070             -1.0981110        
  8      0.3920400              0.8351060        
  9      0.2128650              1.7852520        
 10      0.1070420             -2.0517060        
 11      0.0543460             -0.3318250        
 12      0.0277480              1.0846930        
P   12
  1     77.9108000             -0.0003270        
  2     13.7037000              0.0107320        
  3      8.5560000             -0.0873380        
  4      5.3433500              0.1815290        
  5      3.1309600              0.1439620        
  6      1.2481300             -0.8796010        
  7      0.7057070             -1.5966240        
  8      0.3920400              4.8613140        
  9      0.2128650             -3.4449480        
 10      0.1070420             -0.7351070        
 11      0.0543460              2.8678810        
 12      0.0277480             -1.6056420        
P   12
  1     77.9108000             -0.0001010        
  2     13.7037000             -0.0058350        
  3      8.5560000             -0.0550890        
  4      5.3433500              0.1703450        
  5      3.1309600              0.4395670        
  6      1.2481300             -4.2725720        
  7      0.7057070              6.2343020        
  8      0.3920400             -2.0751110        
  9      0.2128650             -3.4656920        
 10      0.1070420              5.9121840        
 11      0.0543460             -4.7865070        
 12      0.0277480              1.7266830        
P   1
  1      0.0142710              1.0000000        
D   10
  1     45.4024000              0.0001200        
  2     12.9334000              0.0010990        
  3      4.8006500             -0.0068000        
  4      1.8593400              0.0303570        
  5      1.1169700              0.0992990        
  6      0.6437090              0.1802560        
  7      0.3523490              0.2459700        
  8      0.1853680              0.2811180        
  9      0.0931220              0.2667400        
 10      0.0445400              0.1692660        
D   10
  1     45.4024000             -0.0001510        
  2     12.9334000             -0.0012580        
  3      4.8006500              0.0078620        
  4      1.8593400             -0.0402620        
  5      1.1169700             -0.1228420        
  6      0.6437090             -0.2289480        
  7      0.3523490             -0.2879670        
  8      0.1853680             -0.1377670        
  9      0.0931220              0.2766650        
 10      0.0445400              0.5148560        
D   10
  1     45.4024000              0.0001950        
  2     12.9334000              0.0016130        
  3      4.8006500             -0.0101290        
  4      1.8593400              0.0537820        
  5      1.1169700              0.1808020        
  6      0.6437090              0.3422230        
  7      0.3523490              0.2506190        
  8      0.1853680             -0.5086550        
  9      0.0931220             -0.6756680        
 10      0.0445400              0.4144900        
D   10
  1     45.4024000             -0.0001840        
  2     12.9334000             -0.0030890        
  3      4.8006500              0.0194310        
  4      1.8593400             -0.0954860        
  5      1.1169700             -0.3003170        
  6      0.6437090             -0.6932980        
  7      0.3523490              0.7279550        
  8      0.1853680              1.0036120        
  9      0.0931220             -1.1469290        
 10      0.0445400             -0.2917490        
D   10
  1     45.4024000             -0.0003570        
  2     12.9334000             -0.0039810        
  3      4.8006500              0.0278630        
  4      1.8593400             -0.1590440        
  5      1.1169700             -0.8147140        
  6      0.6437090             -0.0017590        
  7      0.3523490              2.1872360        
  8      0.1853680             -2.0397820        
  9      0.0931220             -0.0556930        
 10      0.0445400              1.4099920        
D   1
  1      0.0200680              1.0000000        
F   1
  1      1.6458000              1.0000000        
F   1
  1      0.5735000              1.0000000        
F   1
  1      0.1999000              1.0000000        
F   1
  1      0.0697000              1.0000000        
G   1
  1      0.9326000              1.0000000        
G   1
  1      0.3358000              1.0000000        
G   1
  1      0.1209000              1.0000000        
H   1
  1      0.6710000              1.0000000        
H   1
  1      0.2242000              1.0000000        
I   1
  1      0.3993000              1.0000000        


name: cc-pV5Z-PP
description: N/A
elt: Zr
data:
ZIRCONIUM
S   15
  1  15437.5000000              0.0000020        
  2   2465.9700000              0.0000130        
  3    578.6510000              0.0000590        
  4    162.7350000              0.0001980        
  5     26.5335000              0.0066440        
  6     16.5704000             -0.0525730        
  7     10.3303000              0.1634440        
  8      4.1481000             -0.3059450        
  9      2.5161300             -0.3490550        
 10      1.1659700              0.3455410        
 11      0.6451250              0.6639130        
 12      0.3370100              0.3281410        
 13      0.1365970              0.0293880        
 14      0.0726290             -0.0041590        
 15      0.0358930              0.0032740        
S   15
  1  15437.5000000             -0.0000010        
  2   2465.9700000             -0.0000040        
  3    578.6510000             -0.0000190        
  4    162.7350000             -0.0000700        
  5     26.5335000             -0.0019840        
  6     16.5704000              0.0162570        
  7     10.3303000             -0.0526420        
  8      4.1481000              0.1103950        
  9      2.5161300              0.1116980        
 10      1.1659700             -0.1375420        
 11      0.6451250             -0.3040570        
 12      0.3370100             -0.2837350        
 13      0.1365970              0.0962260        
 14      0.0726290              0.5363000        
 15      0.0358930              0.4913850        
S   15
  1  15437.5000000             -0.0000010        
  2   2465.9700000             -0.0000070        
  3    578.6510000             -0.0000450        
  4    162.7350000             -0.0001000        
  5     26.5335000             -0.0050430        
  6     16.5704000              0.0355610        
  7     10.3303000             -0.1078700        
  8      4.1481000              0.2427640        
  9      2.5161300              0.1748460        
 10      1.1659700             -0.2103000        
 11      0.6451250             -1.1293430        
 12      0.3370100              0.0990480        
 13      0.1365970              1.9494820        
 14      0.0726290             -0.1464570        
 15      0.0358930             -0.9659600        
S   15
  1  15437.5000000             -0.0000020        
  2   2465.9700000             -0.0000100        
  3    578.6510000             -0.0000750        
  4    162.7350000             -0.0001300        
  5     26.5335000             -0.0083810        
  6     16.5704000              0.0560560        
  7     10.3303000             -0.1678690        
  8      4.1481000              0.4051870        
  9      2.5161300              0.2797260        
 10      1.1659700             -0.6336340        
 11      0.6451250             -2.5875580        
 12      0.3370100              3.7335630        
 13      0.1365970              0.3891840        
 14      0.0726290             -3.2884940        
 15      0.0358930              1.4132350        
S   15
  1  15437.5000000              0.0000010        
  2   2465.9700000              0.0000320        
  3    578.6510000             -0.0000380        
  4    162.7350000              0.0007060        
  5     26.5335000             -0.0109030        
  6     16.5704000              0.0125820        
  7     10.3303000              0.0829970        
  8      4.1481000             -0.1789480        
  9      2.5161300             -1.1538930        
 10      1.1659700              3.5607120        
 11      0.6451250             -0.7683280        
 12      0.3370100             -4.8187130        
 13      0.1365970              8.1060540        
 14      0.0726290             -5.8703430        
 15      0.0358930              0.0251120        
S   15
  1  15437.5000000             -0.0000020        
  2   2465.9700000             -0.0000490        
  3    578.6510000              0.0000270        
  4    162.7350000             -0.0010470        
  5     26.5335000              0.0122540        
  6     16.5704000              0.0035430        
  7     10.3303000             -0.1902040        
  8      4.1481000              0.6083250        
  9      2.5161300              1.8067300        
 10      1.1659700            -11.0626930        
 11      0.6451250             17.0783340        
 12      0.3370100            -11.8732290        
 13      0.1365970              4.0836260        
 14      0.0726290              1.6705390        
 15      0.0358930             -4.4656650        
S   1
  1      0.0178820              1.0000000        
P   12
  1     86.6065000              0.0001400        
  2     15.1555000             -0.0027860        
  3      9.4658000              0.0414510        
  4      5.9125200             -0.0844130        
  5      3.4533700             -0.1174270        
  6      1.3761100              0.2476830        
  7      0.7768660              0.4294190        
  8      0.4273720              0.3444380        
  9      0.2277060              0.1265660        
 10      0.1153640              0.0157100        
 11      0.0594000              0.0020970        
 12      0.0308990              0.0000650        
P   12
  1     86.6065000             -0.0000440        
  2     15.1555000              0.0008580        
  3      9.4658000             -0.0129840        
  4      5.9125200              0.0279860        
  5      3.4533700              0.0338730        
  6      1.3761100             -0.0874800        
  7      0.7768660             -0.1562140        
  8      0.4273720             -0.1592300        
  9      0.2277060              0.0235440        
 10      0.1153640              0.3088570        
 11      0.0594000              0.4574650        
 12      0.0308990              0.3009240        
P   12
  1     86.6065000             -0.0000620        
  2     15.1555000              0.0011810        
  3      9.4658000             -0.0181900        
  4      5.9125200              0.0389740        
  5      3.4533700              0.0490940        
  6      1.3761100             -0.1251510        
  7      0.7768660             -0.2201010        
  8      0.4273720             -0.2475300        
  9      0.2277060              0.0930910        
 10      0.1153640              0.5777970        
 11      0.0594000              0.4254600        
 12      0.0308990              0.0751780        
P   12
  1     86.6065000             -0.0001100        
  2     15.1555000              0.0020370        
  3      9.4658000             -0.0330270        
  4      5.9125200              0.0709340        
  5      3.4533700              0.0977790        
  6      1.3761100             -0.2496370        
  7      0.7768660             -0.6860450        
  8      0.4273720             -0.1064010        
  9      0.2277060              1.4075580        
 10      0.1153640              0.1883270        
 11      0.0594000             -0.8765300        
 12      0.0308990             -0.2006530        
P   12
  1     86.6065000             -0.0001910        
  2     15.1555000              0.0042620        
  3      9.4658000             -0.0558950        
  4      5.9125200              0.1186240        
  5      3.4533700              0.1709420        
  6      1.3761100             -0.6916810        
  7      0.7768660             -1.3598380        
  8      0.4273720              2.7069520        
  9      0.2277060             -0.0578670        
 10      0.1153640             -2.2241640        
 11      0.0594000              1.0666880        
 12      0.0308990              0.3815510        
P   12
  1     86.6065000              0.0002860        
  2     15.1555000             -0.0058940        
  3      9.4658000              0.0919740        
  4      5.9125200             -0.2208550        
  5      3.4533700             -0.2793470        
  6      1.3761100              2.7044810        
  7      0.7768660             -2.1500230        
  8      0.4273720             -2.6396310        
  9      0.2277060              5.5738310        
 10      0.1153640             -4.0538370        
 11      0.0594000              0.7783170        
 12      0.0308990              0.5650840        
P   1
  1      0.0158570              1.0000000        
D   10
  1     49.5067000              0.0001540        
  2     13.9303000              0.0014270        
  3      5.2603900             -0.0095780        
  4      2.0331900              0.0419560        
  5      1.2191700              0.1254610        
  6      0.7111020              0.2125620        
  7      0.3899280              0.2823830        
  8      0.2023760              0.2859490        
  9      0.1018700              0.2155050        
 10      0.0503430              0.1051110        
D   10
  1     49.5067000             -0.0001900        
  2     13.9303000             -0.0015510        
  3      5.2603900              0.0106460        
  4      2.0331900             -0.0542150        
  5      1.2191700             -0.1539970        
  6      0.7111020             -0.2639730        
  7      0.3899280             -0.2811660        
  8      0.2023760              0.0220550        
  9      0.1018700              0.4048750        
 10      0.0503430              0.4290200        
D   10
  1     49.5067000              0.0002770        
  2     13.9303000              0.0021470        
  3      5.2603900             -0.0149450        
  4      2.0331900              0.0922390        
  5      1.2191700              0.2523180        
  6      0.7111020              0.3886540        
  7      0.3899280              0.0101690        
  8      0.2023760             -0.7329550        
  9      0.1018700             -0.3380690        
 10      0.0503430              0.5765170        
D   10
  1     49.5067000             -0.0003420        
  2     13.9303000             -0.0034860        
  3      5.2603900              0.0250340        
  4      2.0331900             -0.1574730        
  5      1.2191700             -0.4752710        
  6      0.7111020             -0.4707610        
  7      0.3899280              1.2586620        
  8      0.2023760              0.2702640        
  9      0.1018700             -1.2589810        
 10      0.0503430              0.2159450        
D   10
  1     49.5067000              0.0006720        
  2     13.9303000              0.0040810        
  3      5.2603900             -0.0349770        
  4      2.0331900              0.2975460        
  5      1.2191700              1.1675020        
  6      0.7111020             -1.3250430        
  7      0.3899280             -1.1404310        
  8      0.2023760              2.5067660        
  9      0.1018700             -1.3125060        
 10      0.0503430             -0.4784940        
D   1
  1      0.0237770              1.0000000        
F   1
  1      2.3842000              1.0000000        
F   1
  1      0.8475000              1.0000000        
F   1
  1      0.3013000              1.0000000        
F   1
  1      0.1071000              1.0000000        
G   1
  1      1.2410000              1.0000000        
G   1
  1      0.4615000              1.0000000        
G   1
  1      0.1716000              1.0000000        
H   1
  1      0.9257000              1.0000000        
H   1
  1      0.3118000              1.0000000        
I   1
  1      0.5877000              1.0000000        


name: cc-pV5Z-PP
description: N/A
elt: Nb
data:
NIOBIUM
S   15
  1  16724.4000000              0.0000020        
  2   2802.5700000              0.0000130        
  3    620.6060000              0.0000690        
  4    169.9940000              0.0002180        
  5     28.9091000              0.0066770        
  6     17.9890000             -0.0524340        
  7     11.0810000              0.1685240        
  8      4.5084100             -0.3071400        
  9      2.7740400             -0.3656480        
 10      1.2785800              0.3577500        
 11      0.7104820              0.6677810        
 12      0.3712440              0.3219880        
 13      0.1537620              0.0288090        
 14      0.0799430             -0.0032060        
 15      0.0390490              0.0028630        
S   15
  1  16724.4000000             -0.0000010        
  2   2802.5700000             -0.0000050        
  3    620.6060000             -0.0000230        
  4    169.9940000             -0.0000770        
  5     28.9091000             -0.0020080        
  6     17.9890000              0.0163130        
  7     11.0810000             -0.0546570        
  8      4.5084100              0.1123230        
  9      2.7740400              0.1171300        
 10      1.2785800             -0.1444410        
 11      0.7104820             -0.3105620        
 12      0.3712440             -0.2723990        
 13      0.1537620              0.1005350        
 14      0.0799430              0.5285960        
 15      0.0390490              0.4926760        
S   15
  1  16724.4000000             -0.0000010        
  2   2802.5700000             -0.0000080        
  3    620.6060000             -0.0000520        
  4    169.9940000             -0.0001220        
  5     28.9091000             -0.0050290        
  6     17.9890000              0.0359710        
  7     11.0810000             -0.1144670        
  8      4.5084100              0.2525740        
  9      2.7740400              0.2025510        
 10      1.2785800             -0.2624260        
 11      0.7104820             -1.1754450        
 12      0.3712440              0.1947830        
 13      0.1537620              1.8814740        
 14      0.0799430             -0.1487580        
 15      0.0390490             -0.9365280        
S   15
  1  16724.4000000             -0.0000020        
  2   2802.5700000             -0.0000130        
  3    620.6060000             -0.0000860        
  4    169.9940000             -0.0001830        
  5     28.9091000             -0.0081350        
  6     17.9890000              0.0565980        
  7     11.0810000             -0.1814640        
  8      4.5084100              0.4395510        
  9      2.7740400              0.3370230        
 10      1.2785800             -0.9136540        
 11      0.7104820             -2.3968250        
 12      0.3712440              3.9390540        
 13      0.1537620             -0.1056110        
 14      0.0799430             -2.9373520        
 15      0.0390490              1.4465500        
S   15
  1  16724.4000000              0.0000010        
  2   2802.5700000              0.0000370        
  3    620.6060000             -0.0000340        
  4    169.9940000              0.0008940        
  5     28.9091000             -0.0133320        
  6     17.9890000              0.0173350        
  7     11.0810000              0.0954540        
  8      4.5084100             -0.1928160        
  9      2.7740400             -1.4302220        
 10      1.2785800              4.9562710        
 11      0.7104820             -3.0055020        
 12      0.3712440             -3.3620400        
 13      0.1537620              7.7844360        
 14      0.0799430             -6.4326700        
 15      0.0390490              1.0110800        
S   15
  1  16724.4000000              0.0000050        
  2   2802.5700000              0.0000240        
  3    620.6060000              0.0001970        
  4    169.9940000              0.0003220        
  5     28.9091000              0.0193240        
  6     17.9890000             -0.1272330        
  7     11.0810000              0.4126080        
  8      4.5084100             -1.3351400        
  9      2.7740400             -0.6681470        
 10      1.2785800             10.4666180        
 11      0.7104820            -18.0167040        
 12      0.3712440             14.2476880        
 13      0.1537620             -7.4149890        
 14      0.0799430              1.6768070        
 15      0.0390490              2.5528660        
S   1
  1      0.0192340              1.0000000        
P   12
  1     94.5740000              0.0001420        
  2     16.5451000             -0.0031230        
  3     10.3353000              0.0437240        
  4      6.4556800             -0.0866590        
  5      3.7818500             -0.1242440        
  6      1.5100900              0.2599500        
  7      0.8529130              0.4352490        
  8      0.4705510              0.3351180        
  9      0.2525070              0.1215810        
 10      0.1277120              0.0157470        
 11      0.0654580              0.0016820        
 12      0.0337640              0.0001400        
P   12
  1     94.5740000             -0.0000460        
  2     16.5451000              0.0009760        
  3     10.3353000             -0.0139150        
  4      6.4556800              0.0292850        
  5      3.7818500              0.0364390        
  6      1.5100900             -0.0941250        
  7      0.8529130             -0.1629130        
  8      0.4705510             -0.1532280        
  9      0.2525070              0.0361760        
 10      0.1277120              0.3110250        
 11      0.0654580              0.4523680        
 12      0.0337640              0.2988230        
P   12
  1     94.5740000             -0.0000660        
  2     16.5451000              0.0013990        
  3     10.3353000             -0.0202860        
  4      6.4556800              0.0423910        
  5      3.7818500              0.0552160        
  6      1.5100900             -0.1407040        
  7      0.8529130             -0.2444300        
  8      0.4705510             -0.2446420        
  9      0.2525070              0.1472680        
 10      0.1277120              0.5842200        
 11      0.0654580              0.3942580        
 12      0.0337640              0.0651680        
P   12
  1     94.5740000             -0.0001150        
  2     16.5451000              0.0023020        
  3     10.3353000             -0.0357330        
  4      6.4556800              0.0752340        
  5      3.7818500              0.1080190        
  6      1.5100900             -0.2970280        
  7      0.8529130             -0.6997760        
  8      0.4705510              0.0090570        
  9      0.2525070              1.3704750        
 10      0.1277120              0.1113480        
 11      0.0654580             -0.8573660        
 12      0.0337640             -0.1922890        
P   12
  1     94.5740000             -0.0001840        
  2     16.5451000              0.0040050        
  3     10.3353000             -0.0585500        
  4      6.4556800              0.1213400        
  5      3.7818500              0.2110750        
  6      1.5100900             -0.9360120        
  7      0.8529130             -1.0533120        
  8      0.4705510              2.7306070        
  9      0.2525070             -0.3402500        
 10      0.1277120             -2.0389740        
 11      0.0654580              1.0662180        
 12      0.0337640              0.3529060        
P   12
  1     94.5740000              0.0002510        
  2     16.5451000             -0.0043200        
  3     10.3353000              0.0899560        
  4      6.4556800             -0.2212470        
  5      3.7818500             -0.3110130        
  6      1.5100900              3.0553130        
  7      0.8529130             -3.0340750        
  8      0.4705510             -1.7190450        
  9      0.2525070              5.1664290        
 10      0.1277120             -4.1195420        
 11      0.0654580              0.9937460        
 12      0.0337640              0.4670990        
P   1
  1      0.0171550              1.0000000        
D   10
  1    112.0840000              0.0000420        
  2     33.7714000              0.0003440        
  3     12.4751000              0.0022140        
  4      6.3293900             -0.0097510        
  5      2.0214400              0.0761190        
  6      1.1232800              0.2035310        
  7      0.5991810              0.2930090        
  8      0.3098940              0.3059440        
  9      0.1547090              0.2411420        
 10      0.0740910              0.1253140        
D   10
  1    112.0840000             -0.0000420        
  2     33.7714000             -0.0004380        
  3     12.4751000             -0.0022120        
  4      6.3293900              0.0103000        
  5      2.0214400             -0.0981300        
  6      1.1232800             -0.2489670        
  7      0.5991810             -0.3295230        
  8      0.3098940             -0.0858720        
  9      0.1547090              0.3473660        
 10      0.0740910              0.4902950        
D   10
  1    112.0840000              0.0000570        
  2     33.7714000              0.0007230        
  3     12.4751000              0.0029330        
  4      6.3293900             -0.0146300        
  5      2.0214400              0.1827690        
  6      1.1232800              0.4323530        
  7      0.5991810              0.2343910        
  8      0.3098940             -0.6322730        
  9      0.1547090             -0.5550090        
 10      0.0740910              0.4840240        
D   10
  1    112.0840000             -0.0000690        
  2     33.7714000             -0.0010950        
  3     12.4751000             -0.0038530        
  4      6.3293900              0.0215400        
  5      2.0214400             -0.3290370        
  6      1.1232800             -0.7370970        
  7      0.5991810              0.7345520        
  8      0.3098940              0.9807020        
  9      0.1547090             -1.2603090        
 10      0.0740910             -0.1615170        
D   10
  1    112.0840000              0.0002360        
  2     33.7714000              0.0007700        
  3     12.4751000              0.0109920        
  4      6.3293900             -0.0489550        
  5      2.0214400              0.9087510        
  6      1.1232800              0.2465580        
  7      0.5991810             -2.4626810        
  8      0.3098940              2.3616380        
  9      0.1547090             -0.3014160        
 10      0.0740910             -1.1843040        
D   1
  1      0.0332330              1.0000000        
F   1
  1      3.1744000              1.0000000        
F   1
  1      1.1392000              1.0000000        
F   1
  1      0.4088000              1.0000000        
F   1
  1      0.1467000              1.0000000        
G   1
  1      1.5463000              1.0000000        
G   1
  1      0.5931000              1.0000000        
G   1
  1      0.2275000              1.0000000        
H   1
  1      1.1829000              1.0000000        
H   1
  1      0.4022000              1.0000000        
I   1
  1      0.7952000              1.0000000        


name: cc-pV5Z-PP
description: N/A
elt: Mo
data:
MOLYBDENUM
S   15
  1  17946.3000000              0.0000020        
  2   3312.2700000              0.0000140        
  3    681.6260000              0.0000780        
  4    180.1620000              0.0002490        
  5     30.6673000              0.0071150        
  6     19.1509000             -0.0564880        
  7     11.8941000              0.1781580        
  8      4.8981400             -0.3068990        
  9      3.0488500             -0.3822290        
 10      1.3981700              0.3634910        
 11      0.7820320              0.6697260        
 12      0.4090740              0.3223120        
 13      0.1705450              0.0289300        
 14      0.0879630             -0.0031730        
 15      0.0426100              0.0025270        
S   15
  1  17946.3000000             -0.0000010        
  2   3312.2700000             -0.0000050        
  3    681.6260000             -0.0000260        
  4    180.1620000             -0.0000870        
  5     30.6673000             -0.0021310        
  6     19.1509000              0.0174860        
  7     11.8941000             -0.0574820        
  8      4.8981400              0.1123150        
  9      3.0488500              0.1215130        
 10      1.3981700             -0.1474560        
 11      0.7820320             -0.3094610        
 12      0.4090740             -0.2639230        
 13      0.1705450              0.0952130        
 14      0.0879630              0.5127540        
 15      0.0426100              0.5003880        
S   15
  1  17946.3000000             -0.0000010        
  2   3312.2700000             -0.0000090        
  3    681.6260000             -0.0000580        
  4    180.1620000             -0.0001500        
  5     30.6673000             -0.0051900        
  6     19.1509000              0.0383330        
  7     11.8941000             -0.1211750        
  8      4.8981400              0.2519100        
  9      3.0488500              0.2282270        
 10      1.3981700             -0.2895420        
 11      0.7820320             -1.1954110        
 12      0.4090740              0.2458690        
 13      0.1705450              1.7947840        
 14      0.0879630             -0.0900170        
 15      0.0426100             -0.9123270        
S   15
  1  17946.3000000             -0.0000020        
  2   3312.2700000             -0.0000150        
  3    681.6260000             -0.0000920        
  4    180.1620000             -0.0002730        
  5     30.6673000             -0.0074740        
  6     19.1509000              0.0579880        
  7     11.8941000             -0.1932500        
  8      4.8981400              0.4439590        
  9      3.0488500              0.4359270        
 10      1.3981700             -1.2061380        
 11      0.7820320             -2.1672290        
 12      0.4090740              3.9971280        
 13      0.1705450             -0.3767490        
 14      0.0879630             -2.6529470        
 15      0.0426100              1.3496510        
S   15
  1  17946.3000000              0.0000010        
  2   3312.2700000              0.0000370        
  3    681.6260000             -0.0000010        
  4    180.1620000              0.0009570        
  5     30.6673000             -0.0129690        
  6     19.1509000              0.0115460        
  7     11.8941000              0.1192690        
  8      4.8981400             -0.1981710        
  9      3.0488500             -1.6808410        
 10      1.3981700              6.1767120        
 11      0.7820320             -5.0128880        
 12      0.4090740             -1.8552510        
 13      0.1705450              7.0831250        
 14      0.0879630             -6.3689880        
 15      0.0426100              1.3848040        
S   15
  1  17946.3000000              0.0000120        
  2   3312.2700000             -0.0000230        
  3    681.6260000              0.0006300        
  4    180.1620000             -0.0014220        
  5     30.6673000              0.0933800        
  6     19.1509000             -0.4224160        
  7     11.8941000              0.9137280        
  8      4.8981400             -2.7770120        
  9      3.0488500              1.4805520        
 10      1.3981700              8.7304160        
 11      0.7820320            -17.4963080        
 12      0.4090740             15.3033290        
 13      0.1705450             -9.6104950        
 14      0.0879630              4.1565130        
 15      0.0426100              0.9517470        
S   1
  1      0.0208110              1.0000000        
P   12
  1    102.2090000              0.0001490        
  2     18.0149000             -0.0033980        
  3     11.2538000              0.0452000        
  4      7.0300000             -0.0862460        
  5      4.1583100             -0.1309050        
  6      1.6481100              0.2680230        
  7      0.9379610              0.4347230        
  8      0.5200570              0.3319940        
  9      0.2791940              0.1196780        
 10      0.1411090              0.0152740        
 11      0.0720550              0.0016430        
 12      0.0368770              0.0001240        
P   12
  1    102.2090000             -0.0000480        
  2     18.0149000              0.0010590        
  3     11.2538000             -0.0143500        
  4      7.0300000              0.0291870        
  5      4.1583100              0.0383440        
  6      1.6481100             -0.0974270        
  7      0.9379610             -0.1625480        
  8      0.5200570             -0.1479750        
  9      0.2791940              0.0386590        
 10      0.1411090              0.3035940        
 11      0.0720550              0.4473500        
 12      0.0368770              0.3065650        
P   12
  1    102.2090000             -0.0000730        
  2     18.0149000              0.0015950        
  3     11.2538000             -0.0220460        
  4      7.0300000              0.0445480        
  5      4.1583100              0.0614870        
  6      1.6481100             -0.1553960        
  7      0.9379610             -0.2658560        
  8      0.5200570             -0.2329270        
  9      0.2791940              0.1881850        
 10      0.1411090              0.5757960        
 11      0.0720550              0.3740800        
 12      0.0368770              0.0636110        
P   12
  1    102.2090000             -0.0001230        
  2     18.0149000              0.0024130        
  3     11.2538000             -0.0377930        
  4      7.0300000              0.0773360        
  5      4.1583100              0.1215660        
  6      1.6481100             -0.3489250        
  7      0.9379610             -0.7201340        
  8      0.5200570              0.1376370        
  9      0.2791940              1.3208230        
 10      0.1411090              0.0390320        
 11      0.0720550             -0.8284200        
 12      0.0368770             -0.1838630        
P   12
  1    102.2090000             -0.0001910        
  2     18.0149000              0.0034760        
  3     11.2538000             -0.0594480        
  4      7.0300000              0.1202930        
  5      4.1583100              0.2507130        
  6      1.6481100             -1.1954440        
  7      0.9379610             -0.7223340        
  8      0.5200570              2.7509010        
  9      0.2791940             -0.6597320        
 10      0.1411090             -1.8013110        
 11      0.0720550              1.0385280        
 12      0.0368770              0.3234930        
P   12
  1    102.2090000             -0.0005380        
  2     18.0149000              0.0166440        
  3     11.2538000             -0.1479290        
  4      7.0300000              0.3297030        
  5      4.1583100              0.2785650        
  6      1.6481100             -3.7475860        
  7      0.9379610              4.8285370        
  8      0.5200570             -0.3926750        
  9      0.2791940             -3.7726170        
 10      0.1411090              3.6464610        
 11      0.0720550             -1.0065150        
 12      0.0368770             -0.4055450        
P   1
  1      0.0185410              1.0000000        
D   10
  1    121.6940000              0.0000430        
  2     37.9153000              0.0003210        
  3     13.8001000              0.0024520        
  4      7.0341100             -0.0129520        
  5      2.2296100              0.0869780        
  6      1.2332600              0.2230470        
  7      0.6580150              0.3057440        
  8      0.3408490              0.3010910        
  9      0.1702370              0.2211450        
 10      0.0814650              0.1061110        
D   10
  1    121.6940000             -0.0000420        
  2     37.9153000             -0.0003950        
  3     13.8001000             -0.0024260        
  4      7.0341100              0.0136530        
  5      2.2296100             -0.1074850        
  6      1.2332600             -0.2745980        
  7      0.6580150             -0.3226190        
  8      0.3408490             -0.0193610        
  9      0.1702370              0.3880950        
 10      0.0814650              0.4635180        
D   10
  1    121.6940000              0.0000560        
  2     37.9153000              0.0007130        
  3     13.8001000              0.0032640        
  4      7.0341100             -0.0203340        
  5      2.2296100              0.2195370        
  6      1.2332600              0.4896540        
  7      0.6580150              0.1146290        
  8      0.3408490             -0.7253560        
  9      0.1702370             -0.4021370        
 10      0.0814650              0.5394560        
D   10
  1    121.6940000             -0.0001490        
  2     37.9153000             -0.0004390        
  3     13.8001000             -0.0073650        
  4      7.0341100              0.0369350        
  5      2.2296100             -0.3927060        
  6      1.2332600             -0.7854210        
  7      0.6580150              1.1451810        
  8      0.3408490              0.5581360        
  9      0.1702370             -1.2765790        
 10      0.0814650              0.0826430        
D   10
  1    121.6940000              0.0003820        
  2     37.9153000             -0.0002090        
  3     13.8001000              0.0165020        
  4      7.0341100             -0.0730110        
  5      2.2296100              1.1663390        
  6      1.2332600             -0.3354510        
  7      0.6580150             -2.1052470        
  8      0.3408490              2.6473930        
  9      0.1702370             -0.9034610        
 10      0.0814650             -0.7865590        
D   1
  1      0.0364040              1.0000000        
F   1
  1      3.7483000              1.0000000        
F   1
  1      1.3601000              1.0000000        
F   1
  1      0.4935000              1.0000000        
F   1
  1      0.1791000              1.0000000        
G   1
  1      1.8089000              1.0000000        
G   1
  1      0.7028000              1.0000000        
G   1
  1      0.2731000              1.0000000        
H   1
  1      1.4359000              1.0000000        
H   1
  1      0.4989000              1.0000000        
I   1
  1      1.0504000              1.0000000        


name: cc-pV5Z-PP
description: N/A
elt: Tc
data:
TECHNETIUM
S   15
  1  17206.1000000              0.0000030        
  2   2992.5600000              0.0000170        
  3    736.9910000              0.0000800        
  4    205.5530000              0.0002670        
  5     33.2151000              0.0078690        
  6     20.6748000             -0.0601480        
  7     12.9128000              0.1800930        
  8      4.9296000             -0.3959580        
  9      3.0780000             -0.3043510        
 10      1.4330700              0.4631650        
 11      0.7850940              0.6506150        
 12      0.4109580              0.2611890        
 13      0.1635520              0.0193360        
 14      0.0831080             -0.0022600        
 15      0.0412910              0.0023790        
S   15
  1  17206.1000000             -0.0000010        
  2   2992.5600000             -0.0000060        
  3    736.9910000             -0.0000250        
  4    205.5530000             -0.0000930        
  5     33.2151000             -0.0022740        
  6     20.6748000              0.0180760        
  7     12.9128000             -0.0566300        
  8      4.9296000              0.1415000        
  9      3.0780000              0.0896770        
 10      1.4330700             -0.1820780        
 11      0.7850940             -0.3110970        
 12      0.4109580             -0.2195910        
 13      0.1635520              0.1661460        
 14      0.0831080              0.5216880        
 15      0.0412910              0.4406250        
S   15
  1  17206.1000000             -0.0000020        
  2   2992.5600000             -0.0000110        
  3    736.9910000             -0.0000590        
  4    205.5530000             -0.0001670        
  5     33.2151000             -0.0056120        
  6     20.6748000              0.0404370        
  7     12.9128000             -0.1218380        
  8      4.9296000              0.3175450        
  9      3.0780000              0.1761190        
 10      1.4330700             -0.4174700        
 11      0.7850940             -1.2362890        
 12      0.4109580              0.6215290        
 13      0.1635520              1.7319950        
 14      0.0831080             -0.4239580        
 15      0.0412910             -0.7662060        
S   15
  1  17206.1000000             -0.0000030        
  2   2992.5600000             -0.0000230        
  3    736.9910000             -0.0000720        
  4    205.5530000             -0.0003960        
  5     33.2151000             -0.0046100        
  6     20.6748000              0.0479370        
  7     12.9128000             -0.1744360        
  8      4.9296000              0.4931760        
  9      3.0780000              0.4993970        
 10      1.4330700             -1.9457120        
 11      0.7850940             -1.1774070        
 12      0.4109580              3.8949770        
 13      0.1635520             -1.4291270        
 14      0.0831080             -1.7103600        
 15      0.0412910              1.2744810        
S   15
  1  17206.1000000             -0.0000030        
  2   2992.5600000             -0.0000400        
  3    736.9910000             -0.0000510        
  4    205.5530000             -0.0007450        
  5     33.2151000              0.0014000        
  6     20.6748000              0.0362900        
  7     12.9128000             -0.2004820        
  8      4.9296000              0.6195120        
  9      3.0780000              1.2301670        
 10      1.4330700             -7.0589450        
 11      0.7850940              8.0335410        
 12      0.4109580             -1.7154560        
 13      0.1635520             -4.7009650        
 14      0.0831080              5.7932860        
 15      0.0412910             -1.9433410        
S   15
  1  17206.1000000              0.0000250        
  2   2992.5600000             -0.0001240        
  3    736.9910000              0.0012600        
  4    205.5530000             -0.0035430        
  5     33.2151000              0.1803670        
  6     20.6748000             -0.7581280        
  7     12.9128000              1.3999600        
  8      4.9296000             -5.0560170        
  9      3.0780000              5.9286850        
 10      1.4330700              2.6361380        
 11      0.7850940            -11.8324410        
 12      0.4109580             12.9918620        
 13      0.1635520            -10.5254010        
 14      0.0831080              6.9318900        
 15      0.0412910             -1.1637260        
S   1
  1      0.0206960              1.0000000        
P   12
  1    110.0940000              0.0001580        
  2     19.3763000             -0.0035820        
  3     12.1039000              0.0473040        
  4      7.5605900             -0.0901640        
  5      4.4880700             -0.1347230        
  6      1.8095700              0.2693510        
  7      1.0365700              0.4333910        
  8      0.5792180              0.3307410        
  9      0.3137450              0.1231930        
 10      0.1568500              0.0166350        
 11      0.0791520              0.0012880        
 12      0.0399360              0.0002620        
P   12
  1    110.0940000             -0.0000490        
  2     19.3763000              0.0010780        
  3     12.1039000             -0.0146590        
  4      7.5605900              0.0298090        
  5      4.4880700              0.0388170        
  6      1.8095700             -0.0965520        
  7      1.0365700             -0.1579670        
  8      0.5792180             -0.1427920        
  9      0.3137450              0.0305240        
 10      0.1568500              0.2884550        
 11      0.0791520              0.4457180        
 12      0.0399360              0.3220300        
P   12
  1    110.0940000             -0.0000790        
  2     19.3763000              0.0016840        
  3     12.1039000             -0.0237720        
  4      7.5605900              0.0481110        
  5      4.4880700              0.0666930        
  6      1.8095700             -0.1659810        
  7      1.0365700             -0.2832980        
  8      0.5792180             -0.2222080        
  9      0.3137450              0.2074440        
 10      0.1568500              0.5684030        
 11      0.0791520              0.3674650        
 12      0.0399360              0.0638710        
P   12
  1    110.0940000             -0.0001250        
  2     19.3763000              0.0020880        
  3     12.1039000             -0.0385470        
  4      7.5605900              0.0786910        
  5      4.4880700              0.1379870        
  6      1.8095700             -0.3919830        
  7      1.0365700             -0.7350740        
  8      0.5792180              0.2126760        
  9      0.3137450              1.2695030        
 10      0.1568500              0.0245080        
 11      0.0791520             -0.8141240        
 12      0.0399360             -0.1766070        
P   12
  1    110.0940000             -0.0002190        
  2     19.3763000              0.0039020        
  3     12.1039000             -0.0643300        
  4      7.5605900              0.1283100        
  5      4.4880700              0.2820210        
  6      1.8095700             -1.3761600        
  7      1.0365700             -0.5105690        
  8      0.5792180              2.7459000        
  9      0.3137450             -0.8167420        
 10      0.1568500             -1.6588020        
 11      0.0791520              0.9996640        
 12      0.0399360              0.3109130        
P   12
  1    110.0940000             -0.0010540        
  2     19.3763000              0.0402010        
  3     12.1039000             -0.2586290        
  4      7.5605900              0.5555950        
  5      4.4880700              0.1224290        
  6      1.8095700             -4.1679360        
  7      1.0365700              6.0659110        
  8      0.5792180             -1.9093600        
  9      0.3137450             -2.6276470        
 10      0.1568500              3.0442550        
 11      0.0791520             -0.8378840        
 12      0.0399360             -0.4207810        
P   1
  1      0.0198050              1.0000000        
D   10
  1    147.8790000              0.0000380        
  2     44.5973000              0.0003130        
  3     15.8122000              0.0024000        
  4      7.7441100             -0.0134860        
  5      2.4373000              0.0953100        
  6      1.3541800              0.2361570        
  7      0.7240750              0.3127100        
  8      0.3757400              0.2948200        
  9      0.1881510              0.2069870        
 10      0.0902200              0.0958940        
D   10
  1    147.8790000             -0.0000380        
  2     44.5973000             -0.0003480        
  3     15.8122000             -0.0024090        
  4      7.7441100              0.0140090        
  5      2.4373000             -0.1101300        
  6      1.3541800             -0.2888920        
  7      0.7240750             -0.3137240        
  8      0.3757400              0.0168230        
  9      0.1881510              0.4061120        
 10      0.0902200              0.4507060        
D   10
  1    147.8790000             -0.0000590        
  2     44.5973000             -0.0006690        
  3     15.8122000             -0.0036400        
  4      7.7441100              0.0229510        
  5      2.4373000             -0.2570080        
  6      1.3541800             -0.5438730        
  7      0.7240750              0.0003200        
  8      0.3757400              0.7907550        
  9      0.1881510              0.2692510        
 10      0.0902200             -0.5643750        
D   10
  1    147.8790000             -0.0002210        
  2     44.5973000              0.0001240        
  3     15.8122000             -0.0105590        
  4      7.7441100              0.0483530        
  5      2.4373000             -0.5085800        
  6      1.3541800             -0.7230890        
  7      0.7240750              1.4798980        
  8      0.3757400              0.0851340        
  9      0.1881510             -1.1676390        
 10      0.0902200              0.2485510        
D   10
  1    147.8790000              0.0004320        
  2     44.5973000             -0.0008250        
  3     15.8122000              0.0195710        
  4      7.7441100             -0.0868210        
  5      2.4373000              1.3937670        
  6      1.3541800             -0.9352970        
  7      0.7240750             -1.5827330        
  8      0.3757400              2.6826090        
  9      0.1881510             -1.3200450        
 10      0.0902200             -0.4836410        
D   1
  1      0.0403970              1.0000000        
F   1
  1      4.2418000              1.0000000        
F   1
  1      1.5614000              1.0000000        
F   1
  1      0.5748000              1.0000000        
F   1
  1      0.2116000              1.0000000        
G   1
  1      2.0938000              1.0000000        
G   1
  1      0.8341000              1.0000000        
G   1
  1      0.3322000              1.0000000        
H   1
  1      1.6854000              1.0000000        
H   1
  1      0.6024000              1.0000000        
I   1
  1      1.2796000              1.0000000        


name: cc-pV5Z-PP
description: N/A
elt: Ru
data:
RUTHENIUM
S   15
  1  19299.8000000              0.0000030        
  2   3177.3700000              0.0000200        
  3    765.8330000              0.0000950        
  4    211.4960000              0.0003080        
  5     35.0757000              0.0083090        
  6     21.9030000             -0.0632120        
  7     13.6802000              0.1901360        
  8      5.3150900             -0.4067830        
  9      3.3134900             -0.3157160        
 10      1.5814300              0.4593270        
 11      0.8643690              0.6609700        
 12      0.4506120              0.2670720        
 13      0.1789360              0.0199530        
 14      0.0912570             -0.0021010        
 15      0.0451000              0.0026110        
S   15
  1  19299.8000000             -0.0000010        
  2   3177.3700000             -0.0000070        
  3    765.8330000             -0.0000300        
  4    211.4960000             -0.0001060        
  5     35.0757000             -0.0023580        
  6     21.9030000              0.0187130        
  7     13.6802000             -0.0590350        
  8      5.3150900              0.1438090        
  9      3.3134900              0.0917470        
 10      1.5814300             -0.1785050        
 11      0.8643690             -0.3084170        
 12      0.4506120             -0.2157970        
 13      0.1789360              0.1485450        
 14      0.0912570              0.4989270        
 15      0.0451000              0.4586780        
S   15
  1  19299.8000000             -0.0000020        
  2   3177.3700000             -0.0000140        
  3    765.8330000             -0.0000720        
  4    211.4960000             -0.0002090        
  5     35.0757000             -0.0060060        
  6     21.9030000              0.0437210        
  7     13.6802000             -0.1337450        
  8      5.3150900              0.3399780        
  9      3.3134900              0.2018620        
 10      1.5814300             -0.4762560        
 11      0.8643690             -1.2530110        
 12      0.4506120              0.6941080        
 13      0.1789360              1.6393940        
 14      0.0912570             -0.3814940        
 15      0.0451000             -0.7088780        
S   15
  1  19299.8000000             -0.0000030        
  2   3177.3700000             -0.0000270        
  3    765.8330000             -0.0000770        
  4    211.4960000             -0.0004640        
  5     35.0757000             -0.0034310        
  6     21.9030000              0.0435600        
  7     13.6802000             -0.1685750        
  8      5.3150900              0.4213160        
  9      3.3134900              0.6761790        
 10      1.5814300             -2.1415420        
 11      0.8643690             -0.9179220        
 12      0.4506120              3.5933410        
 13      0.1789360             -1.1992150        
 14      0.0912570             -1.7139110        
 15      0.0451000              1.0266150        
S   15
  1  19299.8000000              0.0000040        
  2   3177.3700000              0.0000430        
  3    765.8330000              0.0000790        
  4    211.4960000              0.0007840        
  5     35.0757000             -0.0002520        
  6     21.9030000             -0.0414040        
  7     13.6802000              0.2122220        
  8      5.3150900             -0.6129970        
  9      3.3134900             -1.3029140        
 10      1.5814300              6.8391020        
 11      0.8643690             -7.3342220        
 12      0.4506120              1.1444100        
 13      0.1789360              4.6239940        
 14      0.0912570             -4.9835290        
 15      0.0451000              0.9748290        
S   15
  1  19299.8000000              0.0000230        
  2   3177.3700000             -0.0000980        
  3    765.8330000              0.0012210        
  4    211.4960000             -0.0032650        
  5     35.0757000              0.1737770        
  6     21.9030000             -0.7367660        
  7     13.6802000              1.3965620        
  8      5.3150900             -4.9906930        
  9      3.3134900              5.7228190        
 10      1.5814300              2.9121610        
 11      0.8643690            -11.6124150        
 12      0.4506120             11.9740470        
 13      0.1789360             -8.5025420        
 14      0.0912570              4.2242350        
 15      0.0451000              0.7743310        
S   1
  1      0.0223550              1.0000000        
P   12
  1    117.2370000              0.0001710        
  2     20.7333000             -0.0037910        
  3     12.9507000              0.0494600        
  4      8.0899500             -0.0935020        
  5      4.8490800             -0.1382150        
  6      1.9778800              0.2683490        
  7      1.1455500              0.4277090        
  8      0.6482270              0.3304950        
  9      0.3551440              0.1309020        
 10      0.1744130              0.0189890        
 11      0.0869520              0.0007960        
 12      0.0431790              0.0004620        
P   12
  1    117.2370000             -0.0000510        
  2     20.7333000              0.0010780        
  3     12.9507000             -0.0146490        
  4      8.0899500              0.0296310        
  5      4.8490800              0.0382110        
  6      1.9778800             -0.0928960        
  7      1.1455500             -0.1473950        
  8      0.6482270             -0.1359030        
  9      0.3551440              0.0164930        
 10      0.1744130              0.2619010        
 11      0.0869520              0.4379230        
 12      0.0431790              0.3491360        
P   12
  1    117.2370000             -0.0000900        
  2     20.7333000              0.0017770        
  3     12.9507000             -0.0260710        
  4      8.0899500              0.0524460        
  5      4.8490800              0.0750510        
  6      1.9778800             -0.1829280        
  7      1.1455500             -0.3078280        
  8      0.6482270             -0.2185800        
  9      0.3551440              0.2422150        
 10      0.1744130              0.5764140        
 11      0.0869520              0.3424880        
 12      0.0431790              0.0576060        
P   12
  1    117.2370000             -0.0001290        
  2     20.7333000              0.0015970        
  3     12.9507000             -0.0386800        
  4      8.0899500              0.0772870        
  5      4.8490800              0.1607700        
  6      1.9778800             -0.4461050        
  7      1.1455500             -0.7576460        
  8      0.6482270              0.3046770        
  9      0.3551440              1.2331310        
 10      0.1744130             -0.0284230        
 11      0.0869520             -0.8005390        
 12      0.0431790             -0.1561480        
P   12
  1    117.2370000             -0.0002780        
  2     20.7333000              0.0057760        
  3     12.9507000             -0.0753300        
  4      8.0899500              0.1453890        
  5      4.8490800              0.3079470        
  6      1.9778800             -1.5692810        
  7      1.1455500             -0.2945160        
  8      0.6482270              2.7715630        
  9      0.3551440             -1.0011960        
 10      0.1744130             -1.5318570        
 11      0.0869520              1.0075060        
 12      0.0431790              0.2768800        
P   12
  1    117.2370000              0.0017130        
  2     20.7333000             -0.0706410        
  3     12.9507000              0.4067880        
  4      8.0899500             -0.8834800        
  5      4.8490800              0.1779200        
  6      1.9778800              4.3766540        
  7      1.1455500             -7.0040540        
  8      0.6482270              3.1071030        
  9      0.3551440              1.7303090        
 10      0.1744130             -2.5752480        
 11      0.0869520              0.7145120        
 12      0.0431790              0.4369110        
P   1
  1      0.0210170              1.0000000        
D   10
  1    126.3940000              0.0000620        
  2     38.4493000              0.0004470        
  3     14.0214000              0.0046720        
  4      8.7168300             -0.0197340        
  5      2.6814400              0.1027520        
  6      1.4904300              0.2437180        
  7      0.8005330              0.3148070        
  8      0.4157270              0.2913270        
  9      0.2077370              0.1999600        
 10      0.0994320              0.0897340        
D   10
  1    126.3940000             -0.0000650        
  2     38.4493000             -0.0004850        
  3     14.0214000             -0.0047640        
  4      8.7168300              0.0206400        
  5      2.6814400             -0.1179830        
  6      1.4904300             -0.3073060        
  7      0.8005330             -0.3048730        
  8      0.4157270              0.0527010        
  9      0.2077370              0.4182880        
 10      0.0994320              0.4296250        
D   10
  1    126.3940000             -0.0001260        
  2     38.4493000             -0.0006780        
  3     14.0214000             -0.0084960        
  4      8.7168300              0.0357220        
  5      2.6814400             -0.2630280        
  6      1.4904300             -0.5763400        
  7      0.8005330              0.0800930        
  8      0.4157270              0.7885720        
  9      0.2077370              0.2113330        
 10      0.0994320             -0.5603510        
D   10
  1    126.3940000             -0.0004320        
  2     38.4493000              0.0008930        
  3     14.0214000             -0.0265410        
  4      8.7168300              0.0806860        
  5      2.6814400             -0.6169190        
  6      1.4904300             -0.6312030        
  7      0.8005330              1.5959590        
  8      0.4157270             -0.1385200        
  9      0.2077370             -1.0618020        
 10      0.0994320              0.2800800        
D   10
  1    126.3940000              0.0007420        
  2     38.4493000             -0.0022720        
  3     14.0214000              0.0464760        
  4      8.7168300             -0.1390570        
  5      2.6814400              1.5532480        
  6      1.4904300             -1.3228490        
  7      0.8005330             -1.1972270        
  8      0.4157270              2.5728670        
  9      0.2077370             -1.4467020        
 10      0.0994320             -0.3538990        
D   1
  1      0.0445150              1.0000000        
F   1
  1      4.7448000              1.0000000        
F   1
  1      1.7724000              1.0000000        
F   1
  1      0.6621000              1.0000000        
F   1
  1      0.2473000              1.0000000        
G   1
  1      2.4116000              1.0000000        
G   1
  1      0.9824000              1.0000000        
G   1
  1      0.4002000              1.0000000        
H   1
  1      1.9595000              1.0000000        
H   1
  1      0.7182000              1.0000000        
I   1
  1      1.5211000              1.0000000        


name: cc-pV5Z-PP
description: N/A
elt: Rh
data:
RHODIUM
S   15
  1  21832.7000000              0.0000030        
  2   3389.9700000              0.0000240        
  3    781.0700000              0.0001140        
  4    216.0190000              0.0003550        
  5     37.1478000              0.0085080        
  6     23.1083000             -0.0660950        
  7     14.4317000              0.2021170        
  8      5.8301800             -0.3922910        
  9      3.6414400             -0.3497620        
 10      1.7443600              0.4436390        
 11      0.9544830              0.6724460        
 12      0.4957220              0.2789020        
 13      0.1972170              0.0213410        
 14      0.1007830             -0.0021650        
 15      0.0493120              0.0028100        
S   15
  1  21832.7000000             -0.0000010        
  2   3389.9700000             -0.0000080        
  3    781.0700000             -0.0000360        
  4    216.0190000             -0.0001200        
  5     37.1478000             -0.0023870        
  6     23.1083000              0.0193000        
  7     14.4317000             -0.0618830        
  8      5.8301800              0.1369210        
  9      3.6414400              0.1016360        
 10      1.7443600             -0.1709760        
 11      0.9544830             -0.3020800        
 12      0.4957220             -0.2162190        
 13      0.1972170              0.1234140        
 14      0.1007830              0.4756350        
 15      0.0493120              0.4790980        
S   15
  1  21832.7000000             -0.0000020        
  2   3389.9700000             -0.0000170        
  3    781.0700000             -0.0000850        
  4    216.0190000             -0.0002460        
  5     37.1478000             -0.0059450        
  6     23.1083000              0.0447560        
  7     14.4317000             -0.1402840        
  8      5.8301800              0.3199220        
  9      3.6414400              0.2438410        
 10      1.7443600             -0.4808860        
 11      0.9544830             -1.2151130        
 12      0.4957220              0.6314320        
 13      0.1972170              1.5229110        
 14      0.1007830             -0.2015840        
 15      0.0493120             -0.6713180        
S   15
  1  21832.7000000             -0.0000030        
  2   3389.9700000             -0.0000290        
  3    781.0700000             -0.0000950        
  4    216.0190000             -0.0004910        
  5     37.1478000             -0.0035990        
  6     23.1083000              0.0443220        
  7     14.4317000             -0.1707100        
  8      5.8301800              0.3489400        
  9      3.6414400              0.7684870        
 10      1.7443600             -2.0291740        
 11      0.9544830             -0.9961410        
 12      0.4957220              3.2909150        
 13      0.1972170             -0.6266260        
 14      0.1007830             -1.9269000        
 15      0.0493120              0.7139260        
S   15
  1  21832.7000000              0.0000040        
  2   3389.9700000              0.0000480        
  3    781.0700000              0.0000980        
  4    216.0190000              0.0008910        
  5     37.1478000             -0.0014470        
  6     23.1083000             -0.0375770        
  7     14.4317000              0.2101840        
  8      5.8301800             -0.4611150        
  9      3.6414400             -1.6108260        
 10      1.7443600              6.8065790        
 11      0.9544830             -6.5983950        
 12      0.4957220              0.3159030        
 13      0.1972170              4.7149700        
 14      0.1007830             -4.2251970        
 15      0.0493120              0.1371840        
S   15
  1  21832.7000000              0.0000210        
  2   3389.9700000             -0.0000690        
  3    781.0700000              0.0012120        
  4    216.0190000             -0.0030230        
  5     37.1478000              0.1639110        
  6     23.1083000             -0.7163330        
  7     14.4317000              1.4184520        
  8      5.8301800             -4.7358790        
  9      3.6414400              4.9303180        
 10      1.7443600              4.0258820        
 11      0.9544830            -12.2373550        
 12      0.4957220             11.5918450        
 13      0.1972170             -7.0765130        
 14      0.1007830              2.2917410        
 15      0.0493120              1.9790030        
S   1
  1      0.0241430              1.0000000        
P   12
  1    126.8950000              0.0001770        
  2     22.1563000             -0.0038910        
  3     13.8416000              0.0512340        
  4      8.6498500             -0.0967430        
  5      5.2356500             -0.1392860        
  6      2.0960100              0.2960810        
  7      1.1856100              0.4480270        
  8      0.6548460              0.3157510        
  9      0.3507950              0.1047680        
 10      0.1768320              0.0124100        
 11      0.0893810              0.0014220        
 12      0.0449290              0.0000690        
P   12
  1    126.8950000              0.0000550        
  2     22.1563000             -0.0011520        
  3     13.8416000              0.0156510        
  4      8.6498500             -0.0316240        
  5      5.2356500             -0.0394170        
  6      2.0960100              0.1048950        
  7      1.1856100              0.1629630        
  8      0.6548460              0.1292980        
  9      0.3507950             -0.0504110        
 10      0.1768320             -0.2914830        
 11      0.0893810             -0.4350730        
 12      0.0449290             -0.3172440        
P   12
  1    126.8950000             -0.0000980        
  2     22.1563000              0.0018920        
  3     13.8416000             -0.0283260        
  4      8.6498500              0.0568270        
  5      5.2356500              0.0808640        
  6      2.0960100             -0.2178660        
  7      1.1856100             -0.3557870        
  8      0.6548460             -0.1484260        
  9      0.3507950              0.3299460        
 10      0.1768320              0.5494040        
 11      0.0893810              0.2856970        
 12      0.0449290              0.0470300        
P   12
  1    126.8950000             -0.0001270        
  2     22.1563000              0.0010390        
  3     13.8416000             -0.0381160        
  4      8.6498500              0.0742070        
  5      5.2356500              0.1808650        
  6      2.0960100             -0.5557710        
  7      1.1856100             -0.7574480        
  8      0.6548460              0.6581560        
  9      0.3507950              1.0716110        
 10      0.1768320             -0.2632840        
 11      0.0893810             -0.7078180        
 12      0.0449290             -0.1314850        
P   12
  1    126.8950000              0.0003070        
  2     22.1563000             -0.0066540        
  3     13.8416000              0.0820080        
  4      8.6498500             -0.1565480        
  5      5.2356500             -0.3241510        
  6      2.0960100              1.8842890        
  7      1.1856100             -0.4041380        
  8      0.6548460             -2.5452610        
  9      0.3507950              1.6096150        
 10      0.1768320              1.0050700        
 11      0.0893810             -0.9612990        
 12      0.0449290             -0.2291410        
P   12
  1    126.8950000              0.0027350        
  2     22.1563000             -0.1231310        
  3     13.8416000              0.6519300        
  4      8.6498500             -1.4266700        
  5      5.2356500              0.7856840        
  6      2.0960100              3.8575010        
  7      1.1856100             -7.3253360        
  8      0.6548460              4.8205480        
  9      0.3507950              0.0773280        
 10      0.1768320             -2.0257170        
 11      0.0893810              0.7522250        
 12      0.0449290              0.3812670        
P   1
  1      0.0221180              1.0000000        
D   10
  1    169.5310000              0.0000510        
  2     51.2417000              0.0004110        
  3     18.0404000              0.0030420        
  4      8.5880400             -0.0166720        
  5      2.9496700              0.1032810        
  6      1.6544200              0.2481940        
  7      0.8904260              0.3174060        
  8      0.4633730              0.2885080        
  9      0.2323630              0.1951360        
 10      0.1115080              0.0869160        
D   10
  1    169.5310000             -0.0000540        
  2     51.2417000             -0.0004690        
  3     18.0404000             -0.0032240        
  4      8.5880400              0.0181670        
  5      2.9496700             -0.1263380        
  6      1.6544200             -0.3264720        
  7      0.8904260             -0.2963840        
  8      0.4633730              0.0852360        
  9      0.2323630              0.4211570        
 10      0.1115080              0.4122960        
D   10
  1    169.5310000             -0.0001100        
  2     51.2417000             -0.0005680        
  3     18.0404000             -0.0059100        
  4      8.5880400              0.0317740        
  5      2.9496700             -0.2642410        
  6      1.6544200             -0.5975800        
  7      0.8904260              0.1355410        
  8      0.4633730              0.7913050        
  9      0.2323630              0.1657550        
 10      0.1115080             -0.5661660        
D   10
  1    169.5310000             -0.0003860        
  2     51.2417000              0.0006740        
  3     18.0404000             -0.0174990        
  4      8.5880400              0.0777310        
  5      2.9496700             -0.7081600        
  6      1.6544200             -0.5498590        
  7      0.8904260              1.6977800        
  8      0.4633730             -0.3294410        
  9      0.2323630             -0.9849480        
 10      0.1115080              0.3255790        
D   10
  1    169.5310000              0.0005000        
  2     51.2417000             -0.0007080        
  3     18.0404000              0.0238930        
  4      8.5880400             -0.1199090        
  5      2.9496700              1.7336230        
  6      1.6544200             -1.7712510        
  7      0.8904260             -0.7479950        
  8      0.4633730              2.4181170        
  9      0.2323630             -1.5548010        
 10      0.1115080             -0.2245550        
D   1
  1      0.0498560              1.0000000        
F   1
  1      5.3897000              1.0000000        
F   1
  1      2.0281000              1.0000000        
F   1
  1      0.7631000              1.0000000        
F   1
  1      0.2872000              1.0000000        
G   1
  1      2.7314000              1.0000000        
G   1
  1      1.1306000              1.0000000        
G   1
  1      0.4680000              1.0000000        
H   1
  1      2.2344000              1.0000000        
H   1
  1      0.8332000              1.0000000        
I   1
  1      1.7562000              1.0000000        


name: cc-pV5Z-PP
description: N/A
elt: Pd
data:
PALLADIUM
S   15
  1  23205.8000000              0.0000040        
  2   3771.3900000              0.0000260        
  3    844.9990000              0.0001310        
  4    225.9440000              0.0004110        
  5     38.8963000              0.0090500        
  6     24.1744000             -0.0704390        
  7     15.0365000              0.2205020        
  8      6.3733900             -0.3870080        
  9      3.9804400             -0.3797990        
 10      1.9137000              0.4295680        
 11      1.0468500              0.6843810        
 12      0.5411240              0.2882870        
 13      0.2196040              0.0221970        
 14      0.1112430             -0.0015960        
 15      0.0534930              0.0027420        
S   15
  1  23205.8000000             -0.0000010        
  2   3771.3900000             -0.0000080        
  3    844.9990000             -0.0000400        
  4    225.9440000             -0.0001360        
  5     38.8963000             -0.0024860        
  6     24.1744000              0.0201470        
  7     15.0365000             -0.0662560        
  8      6.3733900              0.1325870        
  9      3.9804400              0.1092390        
 10      1.9137000             -0.1627670        
 11      1.0468500             -0.2960000        
 12      0.5411240             -0.2160960        
 13      0.2196040              0.0963740        
 14      0.1112430              0.4558370        
 15      0.0534930              0.4989750        
S   15
  1  23205.8000000             -0.0000030        
  2   3771.3900000             -0.0000180        
  3    844.9990000             -0.0000910        
  4    225.9440000             -0.0002830        
  5     38.8963000             -0.0057460        
  6     24.1744000              0.0444640        
  7     15.0365000             -0.1445380        
  8      6.3733900              0.2911970        
  9      3.9804400              0.2762860        
 10      1.9137000             -0.4601500        
 11      1.0468500             -1.1330410        
 12      0.5411240              0.4924230        
 13      0.2196040              1.3766480        
 14      0.1112430              0.0484350        
 15      0.0534930             -0.6259790        
S   15
  1  23205.8000000             -0.0000030        
  2   3771.3900000             -0.0000290        
  3    844.9990000             -0.0001140        
  4    225.9440000             -0.0005170        
  5     38.8963000             -0.0045640        
  6     24.1744000              0.0489840        
  7     15.0365000             -0.1846820        
  8      6.3733900              0.3146920        
  9      3.9804400              0.8163900        
 10      1.9137000             -1.8779410        
 11      1.0468500             -1.1420460        
 12      0.5411240              3.0474940        
 13      0.2196040             -0.1049950        
 14      0.1112430             -2.0487230        
 15      0.0534930              0.3851940        
S   15
  1  23205.8000000              0.0000050        
  2   3771.3900000              0.0000500        
  3    844.9990000              0.0001360        
  4    225.9440000              0.0009530        
  5     38.8963000              0.0001240        
  6     24.1744000             -0.0460830        
  7     15.0365000              0.2371650        
  8      6.3733900             -0.3984760        
  9      3.9804400             -1.8326780        
 10      1.9137000              6.8724880        
 11      1.0468500             -6.1783150        
 12      0.5411240             -0.2248680        
 13      0.2196040              4.6156480        
 14      0.1112430             -3.4660850        
 15      0.0534930             -0.4541080        
S   15
  1  23205.8000000              0.0000210        
  2   3771.3900000             -0.0000440        
  3    844.9990000              0.0011420        
  4    225.9440000             -0.0025270        
  5     38.8963000              0.1585010        
  6     24.1744000             -0.7129760        
  7     15.0365000              1.4991850        
  8      6.3733900             -4.6944470        
  9      3.9804400              4.5188420        
 10      1.9137000              4.6444410        
 11      1.0468500            -12.5365850        
 12      0.5411240             11.3925910        
 13      0.2196040             -6.2020290        
 14      0.1112430              1.0900570        
 15      0.0534930              2.5822440        
S   1
  1      0.0257800              1.0000000        
P   12
  1    135.2730000              0.0001860        
  2     23.0761000             -0.0042710        
  3     14.4134000              0.0572330        
  4      9.0041900             -0.1141790        
  5      5.4158400             -0.1393110        
  6      2.3507900              0.2759960        
  7      1.3344000              0.4534040        
  8      0.7335470              0.3309520        
  9      0.3901660              0.1132910        
 10      0.1885570              0.0133410        
 11      0.0914820              0.0008830        
 12      0.0443940              0.0001700        
P   12
  1    135.2730000              0.0000520        
  2     23.0761000             -0.0011170        
  3     14.4134000              0.0158880        
  4      9.0041900             -0.0339130        
  5      5.4158400             -0.0359330        
  6      2.3507900              0.0898220        
  7      1.3344000              0.1469780        
  8      0.7335470              0.1251760        
  9      0.3901660             -0.0286040        
 10      0.1885570             -0.2727070        
 11      0.0914820             -0.4437890        
 12      0.0443940             -0.3369100        
P   12
  1    135.2730000             -0.0001040        
  2     23.0761000              0.0019740        
  3     14.4134000             -0.0321810        
  4      9.0041900              0.0679970        
  5      5.4158400              0.0879620        
  6      2.3507900             -0.2180220        
  7      1.3344000             -0.3798210        
  8      0.7335470             -0.1555920        
  9      0.3901660              0.3620100        
 10      0.1885570              0.5655060        
 11      0.0914820              0.2574090        
 12      0.0443940              0.0354870        
P   12
  1    135.2730000             -0.0001310        
  2     23.0761000              0.0009520        
  3     14.4134000             -0.0422710        
  4      9.0041900              0.0863860        
  5      5.4158400              0.2024090        
  6      2.3507900             -0.5619670        
  7      1.3344000             -0.7866710        
  8      0.7335470              0.6594830        
  9      0.3901660              1.0680100        
 10      0.1885570             -0.3256270        
 11      0.0914820             -0.6924840        
 12      0.0443940             -0.0896270        
P   12
  1    135.2730000             -0.0003150        
  2     23.0761000              0.0070780        
  3     14.4134000             -0.0921880        
  4      9.0041900              0.1858700        
  5      5.4158400              0.3626280        
  6      2.3507900             -1.9075530        
  7      1.3344000              0.2850310        
  8      0.7335470              2.6540280        
  9      0.3901660             -1.6918510        
 10      0.1885570             -0.9002340        
 11      0.0914820              0.9919570        
 12      0.0443940              0.1504650        
P   12
  1    135.2730000              0.0026410        
  2     23.0761000             -0.1240410        
  3     14.4134000              0.6943910        
  4      9.0041900             -1.6053290        
  5      5.4158400              0.9787740        
  6      2.3507900              3.7381710        
  7      1.3344000             -7.0266130        
  8      0.7335470              4.4199910        
  9      0.3901660              0.2264390        
 10      0.1885570             -2.0342680        
 11      0.0914820              0.8948020        
 12      0.0443940              0.2625200        
P   1
  1      0.0213240              1.0000000        
D   10
  1    167.0870000              0.0000670        
  2     50.0032000              0.0005480        
  3     16.8214000              0.0048040        
  4      8.3725000             -0.0260080        
  5      3.2530000              0.1117880        
  6      1.8099900              0.2537740        
  7      0.9770620              0.3178150        
  8      0.5108750              0.2844650        
  9      0.2575330              0.1902230        
 10      0.1240940              0.0840140        
D   10
  1    167.0870000             -0.0000710        
  2     50.0032000             -0.0006690        
  3     16.8214000             -0.0050930        
  4      8.3725000              0.0289100        
  5      3.2530000             -0.1420360        
  6      1.8099900             -0.3472040        
  7      0.9770620             -0.2840980        
  8      0.5108750              0.1173250        
  9      0.2575330              0.4242370        
 10      0.1240940              0.3951490        
D   10
  1    167.0870000             -0.0001380        
  2     50.0032000             -0.0007620        
  3     16.8214000             -0.0090550        
  4      8.3725000              0.0494340        
  5      3.2530000             -0.2791340        
  6      1.8099900             -0.6165230        
  7      0.9770620              0.1959360        
  8      0.5108750              0.7916730        
  9      0.2575330              0.1203390        
 10      0.1240940             -0.5738380        
D   10
  1    167.0870000             -0.0004510        
  2     50.0032000              0.0004420        
  3     16.8214000             -0.0252640        
  4      8.3725000              0.1211200        
  5      3.2530000             -0.8240850        
  6      1.8099900             -0.4459430        
  7      0.9770620              1.7601450        
  8      0.5108750             -0.4859570        
  9      0.2575330             -0.9235150        
 10      0.1240940              0.3647560        
D   10
  1    167.0870000              0.0004100        
  2     50.0032000              0.0008160        
  3     16.8214000              0.0269820        
  4      8.3725000             -0.1669320        
  5      3.2530000              1.9129540        
  6      1.8099900             -2.1612950        
  7      0.9770620             -0.3296250        
  8      0.5108750              2.2594400        
  9      0.2575330             -1.6367960        
 10      0.1240940             -0.1129480        
D   1
  1      0.0555480              1.0000000        
F   1
  1      6.0582000              1.0000000        
F   1
  1      2.2929000              1.0000000        
F   1
  1      0.8678000              1.0000000        
F   1
  1      0.3284000              1.0000000        
G   1
  1      3.0536000              1.0000000        
G   1
  1      1.2845000              1.0000000        
G   1
  1      0.5403000              1.0000000        
H   1
  1      2.5202000              1.0000000        
H   1
  1      0.9498000              1.0000000        
I   1
  1      2.0051000              1.0000000        


name: cc-pV5Z-PP
description: V5ZP Valence Quintuple Zeta + Polarization on All Atoms
elt: Cu
data:
COPPER
S   15
  1  47481.0000000              0.0000040        
  2   7116.8600000              0.0000270        
  3   1608.2800000              0.0001340        
  4    444.8410000              0.0004460        
  5     97.8090000              0.0043380        
  6     60.8618000             -0.0247350        
  7     37.8932000              0.0783710        
  8     12.3039000             -0.2809410        
  9      7.6956800             -0.1933320        
 10      3.1305800              0.4088360        
 11      1.6195400              0.5916440        
 12      0.7971120              0.2635430        
 13      0.2678080              0.0198730        
 14      0.1479860             -0.0066020        
 15      0.0687380              0.0021730        
S   15
  1  47481.0000000             -0.0000010        
  2   7116.8600000             -0.0000060        
  3   1608.2800000             -0.0000260        
  4    444.8410000             -0.0000940        
  5     97.8090000             -0.0007680        
  6     60.8618000              0.0045070        
  7     37.8932000             -0.0150800        
  8     12.3039000              0.0597320        
  9      7.6956800              0.0367670        
 10      3.1305800             -0.0959590        
 11      1.6195400             -0.1600320        
 12      0.7971120             -0.1554120        
 13      0.2678080             -0.0152390        
 14      0.1479860              0.3122670        
 15      0.0687380              0.5241750        
S   15
  1  47481.0000000              0.0000020        
  2   7116.8600000              0.0000120        
  3   1608.2800000              0.0000700        
  4    444.8410000              0.0001910        
  5     97.8090000              0.0025150        
  6     60.8618000             -0.0127600        
  7     37.8932000              0.0384230        
  8     12.3039000             -0.1646870        
  9      7.6956800             -0.0554710        
 10      3.1305800              0.2653210        
 11      1.6195400              0.5666590        
 12      0.7971120             -0.0879790        
 13      0.2678080             -1.0200250        
 14      0.1479860             -0.3611740        
 15      0.0687380              0.2794740        
S   15
  1  47481.0000000             -0.0000040        
  2   7116.8600000             -0.0000260        
  3   1608.2800000             -0.0001680        
  4    444.8410000             -0.0003630        
  5     97.8090000             -0.0067690        
  6     60.8618000              0.0314750        
  7     37.8932000             -0.0904520        
  8     12.3039000              0.4526940        
  9      7.6956800              0.0221290        
 10      3.1305800             -1.0866650        
 11      1.6195400             -0.9286330        
 12      0.7971120              2.0446460        
 13      0.2678080              0.7991380        
 14      0.1479860             -1.9130430        
 15      0.0687380             -0.2062770        
S   15
  1  47481.0000000              0.0000060        
  2   7116.8600000              0.0000300        
  3   1608.2800000              0.0002800        
  4    444.8410000              0.0002810        
  5     97.8090000              0.0141060        
  6     60.8618000             -0.0586810        
  7     37.8932000              0.1506420        
  8     12.3039000             -0.9168870        
  9      7.6956800              0.3762410        
 10      3.1305800              2.9881220        
 11      1.6195400             -2.8563780        
 12      0.7971120             -0.8763030        
 13      0.2678080              3.8452490        
 14      0.1479860             -2.3033270        
 15      0.0687380             -1.4120390        
S   15
  1  47481.0000000              0.0000120        
  2   7116.8600000             -0.0000070        
  3   1608.2800000              0.0007130        
  4    444.8410000             -0.0013330        
  5     97.8090000              0.0577270        
  6     60.8618000             -0.2075630        
  7     37.8932000              0.3758020        
  8     12.3039000             -2.2488930        
  9      7.6956800              2.5377980        
 10      3.1305800              2.9919750        
 11      1.6195400             -7.9348760        
 12      0.7971120              6.7561770        
 13      0.2678080             -2.7589860        
 14      0.1479860             -1.2012820        
 15      0.0687380              3.4725690        
S   1
  1      0.0315880              1.0000000        
P   12
  1    994.7840000              0.0000460        
  2    233.5740000              0.0003230        
  3     49.3355000              0.0077770        
  4     24.6221000             -0.0302250        
  5     14.5861000             -0.0680470        
  6      5.1492900              0.2180790        
  7      2.7642700              0.3918760        
  8      1.4435900              0.3528230        
  9      0.7290250              0.1640360        
 10      0.3154570              0.0236590        
 11      0.1420260             -0.0008270        
 12      0.0637270              0.0009510        
P   12
  1    994.7840000              0.0000100        
  2    233.5740000              0.0000670        
  3     49.3355000              0.0016740        
  4     24.6221000             -0.0068760        
  5     14.5861000             -0.0135580        
  6      5.1492900              0.0520640        
  7      2.7642700              0.0904900        
  8      1.4435900              0.0965080        
  9      0.7290250              0.0163080        
 10      0.3154570             -0.1903600        
 11      0.1420260             -0.4128340        
 12      0.0637270             -0.4154670        
P   12
  1    994.7840000             -0.0000210        
  2    233.5740000             -0.0001440        
  3     49.3355000             -0.0035890        
  4     24.6221000              0.0156100        
  5     14.5861000              0.0277930        
  6      5.1492900             -0.1247310        
  7      2.7642700             -0.2039560        
  8      1.4435900             -0.1616050        
  9      0.7290250              0.1087170        
 10      0.3154570              0.4919850        
 11      0.1420260              0.4531510        
 12      0.0637270              0.0980950        
P   12
  1    994.7840000             -0.0000530        
  2    233.5740000             -0.0003200        
  3     49.3355000             -0.0085840        
  4     24.6221000              0.0436110        
  5     14.5861000              0.0541100        
  6      5.1492900             -0.4003720        
  7      2.7642700             -0.4965730        
  8      1.4435900              0.0947320        
  9      0.7290250              0.9615560        
 10      0.3154570              0.2341110        
 11      0.1420260             -0.7235870        
 12      0.0637270             -0.1789090        
P   12
  1    994.7840000              0.0001360        
  2    233.5740000              0.0000840        
  3     49.3355000              0.0193530        
  4     24.6221000             -0.1195270        
  5     14.5861000              0.0061250        
  6      5.1492900              0.9456850        
  7      2.7642700              0.2440170        
  8      1.4435900             -1.5726390        
  9      0.7290250              0.0798670        
 10      0.3154570              1.5081190        
 11      0.1420260             -0.7601700        
 12      0.0637270             -0.3501020        
P   12
  1    994.7840000              0.0004850        
  2    233.5740000             -0.0017800        
  3     49.3355000              0.0628640        
  4     24.6221000             -0.3991150        
  5     14.5861000              0.3897740        
  6      5.1492900              2.1154930        
  7      2.7642700             -3.0279620        
  8      1.4435900              0.2861890        
  9      0.7290250              2.0889350        
 10      0.3154570             -1.7381410        
 11      0.1420260              0.1087960        
 12      0.0637270              0.6313500        
P   1
  1      0.0282380              1.0000000        
D   11
  1    573.2950000              0.0001120        
  2    173.7710000              0.0011780        
  3     68.3868000              0.0080990        
  4     31.9759000              0.0320690        
  5     15.4418000              0.0843040        
  6      7.7849700              0.1679020        
  7      3.9745900              0.2452750        
  8      2.0118300              0.2766790        
  9      0.9966730              0.2550870        
 10      0.4783830              0.1937240        
 11      0.2191490              0.1088390        
D   11
  1    573.2950000             -0.0001410        
  2    173.7710000             -0.0014910        
  3     68.3868000             -0.0102980        
  4     31.9759000             -0.0410320        
  5     15.4418000             -0.1110920        
  6      7.7849700             -0.2249840        
  7      3.9745900             -0.2847560        
  8      2.0118300             -0.1384660        
  9      0.9966730              0.1781060        
 10      0.4783830              0.3882270        
 11      0.2191490              0.3421100        
D   11
  1    573.2950000              0.0001670        
  2    173.7710000              0.0018140        
  3     68.3868000              0.0124100        
  4     31.9759000              0.0503820        
  5     15.4418000              0.1409140        
  6      7.7849700              0.2992030        
  7      3.9745900              0.2379310        
  8      2.0118300             -0.2807740        
  9      0.9966730             -0.5675590        
 10      0.4783830             -0.0797420        
 11      0.2191490              0.5364410        
D   11
  1    573.2950000             -0.0002350        
  2    173.7710000             -0.0027710        
  3     68.3868000             -0.0181450        
  4     31.9759000             -0.0773770        
  5     15.4418000             -0.2272860        
  6      7.7849700             -0.5059800        
  7      3.9745900              0.1897810        
  8      2.0118300              0.9638390        
  9      0.9966730             -0.2840360        
 10      0.4783830             -0.8477920        
 11      0.2191490              0.3362200        
D   11
  1    573.2950000             -0.0003870        
  2    173.7710000             -0.0029480        
  3     68.3868000             -0.0271430        
  4     31.9759000             -0.0903680        
  5     15.4418000             -0.4052580        
  6      7.7849700             -0.4721840        
  7      3.9745900              1.4078920        
  8      2.0118300             -0.1982090        
  9      0.9966730             -1.4144590        
 10      0.4783830              1.1732430        
 11      0.2191490              0.1886550        
D   1
  1      0.0926120              1.0000000        
F   1
  1     10.9910000              1.0000000        
F   1
  1      3.9175000              1.0000000        
F   1
  1      1.3964000              1.0000000        
F   1
  1      0.4977000              1.0000000        
G   1
  1      8.9630000              1.0000000        
G   1
  1      3.1442000              1.0000000        
G   1
  1      1.1030000              1.0000000        
H   1
  1      6.5459000              1.0000000        
H   1
  1      2.0847000              1.0000000        
I   1
  1      4.9263000              1.0000000        


name: cc-pV5Z-PP
description: V5ZP Valence Quintuple Zeta + Polarization on All Atoms
elt: Zn
data:
ZINC
S   15
  1  50419.8000000              0.0000030        
  2   8013.0500000              0.0000230        
  3   1864.4100000              0.0001120        
  4    516.8830000              0.0003830        
  5    110.7390000              0.0039760        
  6     68.5920000             -0.0230070        
  7     42.7231000              0.0717560        
  8     12.8754000             -0.3065280        
  9      8.0517500             -0.1667500        
 10      3.3821000              0.4203140        
 11      1.7453000              0.6007590        
 12      0.8572140              0.2489510        
 13      0.2807370              0.0138190        
 14      0.1549350             -0.0044900        
 15      0.0717090              0.0012540        
S   15
  1  50419.8000000             -0.0000010        
  2   8013.0500000             -0.0000060        
  3   1864.4100000             -0.0000260        
  4    516.8830000             -0.0000930        
  5    110.7390000             -0.0008300        
  6     68.5920000              0.0049010        
  7     42.7231000             -0.0160050        
  8     12.8754000              0.0760090        
  9      8.0517500              0.0344540        
 10      3.3821000             -0.1110350        
 11      1.7453000             -0.2007290        
 12      0.8572140             -0.1768110        
 13      0.2807370              0.0851150        
 14      0.1549350              0.4034450        
 15      0.0717090              0.5114480        
S   15
  1  50419.8000000             -0.0000030        
  2   8013.0500000             -0.0000160        
  3   1864.4100000             -0.0000960        
  4    516.8830000             -0.0002400        
  5    110.7390000             -0.0039270        
  6     68.5920000              0.0194170        
  7     42.7231000             -0.0562510        
  8     12.8754000              0.3060970        
  9      8.0517500              0.0228080        
 10      3.3821000             -0.5195240        
 11      1.7453000             -0.8639280        
 12      0.8572140              0.6649260        
 13      0.2807370              1.4803430        
 14      0.1549350             -0.4416580        
 15      0.0717090             -0.5650320        
S   15
  1  50419.8000000             -0.0000040        
  2   8013.0500000             -0.0000250        
  3   1864.4100000             -0.0001590        
  4    516.8830000             -0.0003690        
  5    110.7390000             -0.0063760        
  6     68.5920000              0.0304960        
  7     42.7231000             -0.0910560        
  8     12.8754000              0.6132990        
  9      8.0517500             -0.1276210        
 10      3.3821000             -1.5796900        
 11      1.7453000             -0.2799730        
 12      0.8572140              2.5541640        
 13      0.2807370             -1.0952430        
 14      0.1549350             -1.2948510        
 15      0.0717090              1.0200980        
S   15
  1  50419.8000000              0.0000080        
  2   8013.0500000              0.0000250        
  3   1864.4100000              0.0003430        
  4    516.8830000              0.0001080        
  5    110.7390000              0.0198600        
  6     68.5920000             -0.0794470        
  7     42.7231000              0.1888710        
  8     12.8754000             -1.5400620        
  9      8.0517500              1.3001280        
 10      3.3821000              3.6828310        
 11      1.7453000             -6.0614780        
 12      0.8572140              2.5776780        
 13      0.2807370              2.9314390        
 14      0.1549350             -4.5441800        
 15      0.0717090              1.6667680        
S   15
  1  50419.8000000              0.0000170        
  2   8013.0500000             -0.0000390        
  3   1864.4100000              0.0009160        
  4    516.8830000             -0.0022000        
  5    110.7390000              0.0782790        
  6     68.5920000             -0.2744010        
  7     42.7231000              0.4636130        
  8     12.8754000             -3.6889700        
  9      8.0517500              5.8729060        
 10      3.3821000             -1.8608770        
 11      1.7453000             -3.9473360        
 12      0.8572140              6.7565010        
 13      0.2807370             -9.1897180        
 14      0.1549350              8.3971990        
 15      0.0717090             -2.4279460        
S   1
  1      0.0327990              1.0000000        
P   12
  1   1172.3600000              0.0000370        
  2    276.3820000              0.0002580        
  3     57.8057000              0.0070210        
  4     30.5032000             -0.0239010        
  5     16.1822000             -0.0733240        
  6      5.5670600              0.2236650        
  7      2.9888300              0.3968750        
  8      1.5613900              0.3536010        
  9      0.7880740              0.1533350        
 10      0.3402420              0.0187970        
 11      0.1525990             -0.0004710        
 12      0.0678110              0.0006920        
P   12
  1   1172.3600000             -0.0000080        
  2    276.3820000             -0.0000500        
  3     57.8057000             -0.0014730        
  4     30.5032000              0.0052210        
  5     16.1822000              0.0142920        
  6      5.5670600             -0.0513650        
  7      2.9888300             -0.0873340        
  8      1.5613900             -0.0928550        
  9      0.7880740             -0.0160040        
 10      0.3402420              0.1818650        
 11      0.1525990              0.4048920        
 12      0.0678110              0.4236760        
P   12
  1   1172.3600000             -0.0000150        
  2    276.3820000             -0.0000930        
  3     57.8057000             -0.0028550        
  4     30.5032000              0.0105360        
  5     16.1822000              0.0264820        
  6      5.5670600             -0.1069190        
  7      2.9888300             -0.1724900        
  8      1.5613900             -0.1495920        
  9      0.7880740              0.0523850        
 10      0.3402420              0.4568830        
 11      0.1525990              0.5063440        
 12      0.0678110              0.1148650        
P   12
  1   1172.3600000              0.0000460        
  2    276.3820000              0.0002220        
  3     57.8057000              0.0082730        
  4     30.5032000             -0.0347590        
  5     16.1822000             -0.0627710        
  6      5.5670600              0.4119930        
  7      2.9888300              0.4684490        
  8      1.5613900             -0.0597750        
  9      0.7880740             -0.9337340        
 10      0.3402420             -0.3208820        
 11      0.1525990              0.7113880        
 12      0.0678110              0.1858950        
P   12
  1   1172.3600000              0.0001280        
  2    276.3820000             -0.0000810        
  3     57.8057000              0.0192510        
  4     30.5032000             -0.0908240        
  5     16.1822000             -0.0266290        
  6      5.5670600              0.9279990        
  7      2.9888300              0.2501550        
  8      1.5613900             -1.4807320        
  9      0.7880740             -0.0649640        
 10      0.3402420              1.5719090        
 11      0.1525990             -0.7383820        
 12      0.0678110             -0.3691900        
P   12
  1   1172.3600000             -0.0004970        
  2    276.3820000              0.0022090        
  3     57.8057000             -0.0669790        
  4     30.5032000              0.3166910        
  5     16.1822000             -0.2842230        
  6      5.5670600             -2.0485230        
  7      2.9888300              2.7506110        
  8      1.5613900              0.0688920        
  9      0.7880740             -2.2656820        
 10      0.3402420              1.6860730        
 11      0.1525990              0.0068520        
 12      0.0678110             -0.6912180        
P   1
  1      0.0296610              1.0000000        
D   11
  1    711.3310000              0.0000920        
  2    215.9730000              0.0009620        
  3     85.1094000              0.0065710        
  4     39.8164000              0.0280230        
  5     19.4372000              0.0745890        
  6      9.8713900              0.1546060        
  7      5.0968200              0.2383640        
  8      2.6187300              0.2815350        
  9      1.3210700              0.2662440        
 10      0.6482480              0.1976310        
 11      0.3048130              0.1001960        
D   11
  1    711.3310000              0.0001270        
  2    215.9730000              0.0013370        
  3     85.1094000              0.0092050        
  4     39.8164000              0.0394400        
  5     19.4372000              0.1080670        
  6      9.8713900              0.2315870        
  7      5.0968200              0.3176520        
  8      2.6187300              0.1682570        
  9      1.3210700             -0.1969900        
 10      0.6482480             -0.4125860        
 11      0.3048130             -0.3046730        
D   11
  1    711.3310000              0.0001410        
  2    215.9730000              0.0015490        
  3     85.1094000              0.0104550        
  4     39.8164000              0.0459910        
  5     19.4372000              0.1290630        
  6      9.8713900              0.3058050        
  7      5.0968200              0.2663160        
  8      2.6187300             -0.3407180        
  9      1.3210700             -0.5632060        
 10      0.6482480             -0.0364510        
 11      0.3048130              0.5568570        
D   11
  1    711.3310000              0.0001650        
  2    215.9730000              0.0021010        
  3     85.1094000              0.0129370        
  4     39.8164000              0.0618650        
  5     19.4372000              0.1725820        
  6      9.8713900              0.4627300        
  7      5.0968200             -0.0296170        
  8      2.6187300             -0.9453840        
  9      1.3210700              0.0721040        
 10      0.6482480              1.0067700        
 11      0.3048130             -0.2852740        
D   11
  1    711.3310000             -0.0002720        
  2    215.9730000             -0.0025010        
  3     85.1094000             -0.0197970        
  4     39.8164000             -0.0786830        
  5     19.4372000             -0.3036580        
  6      9.8713900             -0.6107360        
  7      5.0968200              1.1190580        
  8      2.6187300              0.4422770        
  9      1.3210700             -1.7152170        
 10      0.6482480              0.8711110        
 11      0.3048130              0.6507680        
D   1
  1      0.1327280              1.0000000        
F   1
  1     12.3345000              1.0000000        
F   1
  1      4.4340000              1.0000000        
F   1
  1      1.5940000              1.0000000        
F   1
  1      0.5730000              1.0000000        
G   1
  1     10.1826000              1.0000000        
G   1
  1      3.6072000              1.0000000        
G   1
  1      1.2779000              1.0000000        
H   1
  1      7.5136000              1.0000000        
H   1
  1      2.4171000              1.0000000        
I   1
  1      5.6635000              1.0000000        


name: cc-pV5Z-PP
description: V5ZP Valence Quintuple Zeta + Polarization on All Atoms
elt: Ga
data:
GALLIUM
S   11
  1  58304.0000000              0.0000090        
  2   8750.1100000              0.0000690        
  3   1993.7400000              0.0003380        
  4    561.2110000              0.0011640        
  5    169.4830000              0.0027600        
  6     50.6343000             -0.0303200        
  7     31.6278000              0.2101440        
  8     19.7559000             -0.2745810        
  9     10.8801000             -0.2901780        
 10      3.3657300              0.4639660        
 11      1.7863900              0.5555760        
S   11
  1  58304.0000000             -0.0000030        
  2   8750.1100000             -0.0000190        
  3   1993.7400000             -0.0000940        
  4    561.2110000             -0.0003310        
  5    169.4830000             -0.0007420        
  6     50.6343000              0.0073540        
  7     31.6278000             -0.0549410        
  8     19.7559000              0.0759350        
  9     10.8801000              0.0785670        
 10      3.3657300             -0.1497330        
 11      1.7863900             -0.2330010        
S   1
  1      0.9248560              1.0000000        
S   1
  1      0.3850520              1.0000000        
S   1
  1      0.1974380              1.0000000        
S   1
  1      0.0933400              1.0000000        
S   1
  1      0.0430420              1.0000000        
P   9
  1   1291.8500000              0.0000370        
  2    304.5330000              0.0002530        
  3     65.1240000              0.0063340        
  4     35.0808000             -0.0190810        
  5     17.7836000             -0.0784410        
  6      5.9599400              0.2364080        
  7      3.1648700              0.4114670        
  8      1.6385500              0.3513880        
  9      0.3407900              0.0115480        
P   9
  1   1291.8500000             -0.0000070        
  2    304.5330000             -0.0000420        
  3     65.1240000             -0.0011840        
  4     35.0808000              0.0037260        
  5     17.7836000              0.0133950        
  6      5.9599400             -0.0471750        
  7      3.1648700             -0.0777900        
  8      1.6385500             -0.0824390        
  9      0.3407900              0.1724180        
P   1
  1      0.8190480              1.0000000        
P   1
  1      0.1498120              1.0000000        
P   1
  1      0.0653020              1.0000000        
P   1
  1      0.0281860              1.0000000        
D   9
  1    937.3970000              0.0000670        
  2    284.0210000              0.0007100        
  3    111.6010000              0.0049490        
  4     51.9844000              0.0230450        
  5     25.4991000              0.0624300        
  6     12.9757000              0.1369690        
  7      6.7328000              0.2246600        
  8      3.4882900              0.2830560        
  9      1.7778100              0.2811840        
D   1
  1      0.8829960              1.0000000        
D   1
  1      0.4202770              1.0000000        
D   1
  1      0.1821750              1.0000000        
D   1
  1      0.0736000              1.0000000        
F   1
  1      0.6129000              1.0000000        
F   1
  1      0.2939000              1.0000000        
F   1
  1      0.1409000              1.0000000        
G   1
  1      0.6164000              1.0000000        
G   1
  1      0.2816000              1.0000000        
H   1
  1      0.5141000              1.0000000        


name: cc-pV5Z-PP
description: V5ZP Valence Quintuple Zeta + Polarization on All Atoms
elt: Ge
data:
GERMANIUM
S   11
  1  66248.0000000              0.0000130        
  2   9994.2400000              0.0000960        
  3   2275.1400000              0.0004790        
  4    640.9510000              0.0016720        
  5    200.2860000              0.0038160        
  6     52.5937000             -0.0220560        
  7     32.8540000              0.2046500        
  8     20.5236000             -0.3135580        
  9     10.8875000             -0.2593200        
 10      4.2006100              0.3017940        
 11      2.3710500              0.5832880        
S   11
  1  66248.0000000             -0.0000040        
  2   9994.2400000             -0.0000310        
  3   2275.1400000             -0.0001500        
  4    640.9510000             -0.0005380        
  5    200.2860000             -0.0011750        
  6     52.5937000              0.0053550        
  7     32.8540000             -0.0584210        
  8     20.5236000              0.0952160        
  9     10.8875000              0.0794140        
 10      4.2006100             -0.1077830        
 11      2.3710500             -0.2460700        
S   1
  1      1.2386500              1.0000000        
S   1
  1      0.5524950              1.0000000        
S   1
  1      0.2893670              1.0000000        
S   1
  1      0.1325360              1.0000000        
S   1
  1      0.0593990              1.0000000        
P   9
  1   1379.4800000              0.0000430        
  2    323.5350000              0.0003080        
  3     72.2644000              0.0053190        
  4     31.3340000             -0.0284140        
  5     17.8983000             -0.0723920        
  6      6.9115000              0.1980710        
  7      3.7806700              0.3949700        
  8      1.9881000              0.3764380        
  9      0.4405050              0.0162550        
P   9
  1   1379.4800000             -0.0000100        
  2    323.5350000             -0.0000650        
  3     72.2644000             -0.0011690        
  4     31.3340000              0.0065810        
  5     17.8983000              0.0149130        
  6      6.9115000             -0.0486600        
  7      3.7806700             -0.0913690        
  8      1.9881000             -0.1059250        
  9      0.4405050              0.1890840        
P   1
  1      1.0090500              1.0000000        
P   1
  1      0.2018100              1.0000000        
P   1
  1      0.0906810              1.0000000        
P   1
  1      0.0397480              1.0000000        
D   9
  1   1096.4900000              0.0000590        
  2    332.6520000              0.0006190        
  3    130.5390000              0.0042520        
  4     60.0855000              0.0209790        
  5     29.8203000              0.0582370        
  6     15.2103000              0.1322000        
  7      7.9346100              0.2229070        
  8      4.1299300              0.2862040        
  9      2.1216500              0.2869280        
D   1
  1      1.0673300              1.0000000        
D   1
  1      0.5149340              1.0000000        
D   1
  1      0.2231600              1.0000000        
D   1
  1      0.0924000              1.0000000        
F   1
  1      0.6771000              1.0000000        
F   1
  1      0.3347000              1.0000000        
F   1
  1      0.1655000              1.0000000        
G   1
  1      0.6998000              1.0000000        
G   1
  1      0.3220000              1.0000000        
H   1
  1      0.5966000              1.0000000        


name: cc-pV5Z-PP
description: V5ZP Valence Quintuple Zeta + Polarization on All Atoms
elt: As
data:
ARSENIC
S   11
  1  72721.4000000              0.0000190        
  2  10918.7000000              0.0001470        
  3   2483.4900000              0.0007310        
  4    700.2830000              0.0025770        
  5    220.8660000              0.0059010        
  6     54.8624000             -0.0108950        
  7     34.2712000              0.1886140        
  8     21.4122000             -0.3326000        
  9     11.2090000             -0.2236930        
 10      4.7090300              0.2724230        
 11      2.6280200              0.5951570        
S   11
  1  72721.4000000             -0.0000070        
  2  10918.7000000             -0.0000520        
  3   2483.4900000             -0.0002550        
  4    700.2830000             -0.0009160        
  5    220.8660000             -0.0020490        
  6     54.8624000              0.0017590        
  7     34.2712000             -0.0572190        
  8     21.4122000              0.1090260        
  9     11.2090000              0.0748120        
 10      4.7090300             -0.1041800        
 11      2.6280200             -0.2835790        
S   1
  1      1.3773000              1.0000000        
S   1
  1      0.6196870              1.0000000        
S   1
  1      0.3352220              1.0000000        
S   1
  1      0.1581240              1.0000000        
S   1
  1      0.0723260              1.0000000        
P   9
  1   1376.8400000              0.0000550        
  2    323.2210000              0.0003900        
  3     72.9045000              0.0061360        
  4     29.8358000             -0.0401290        
  5     18.6028000             -0.0646780        
  6      7.4792200              0.2043790        
  7      4.0732700              0.4029820        
  8      2.1574200              0.3717230        
  9      0.5100210              0.0151230        
P   9
  1   1376.8400000             -0.0000140        
  2    323.2210000             -0.0000960        
  3     72.9045000             -0.0015110        
  4     29.8358000              0.0105460        
  5     18.6028000              0.0146470        
  6      7.4792200             -0.0568210        
  7      4.0732700             -0.1074180        
  8      2.1574200             -0.1217970        
  9      0.5100210              0.2250800        
P   1
  1      1.1145700              1.0000000        
P   1
  1      0.2397330              1.0000000        
P   1
  1      0.1105710              1.0000000        
P   1
  1      0.0496000              1.0000000        
D   9
  1   1074.5600000              0.0000780        
  2    326.2130000              0.0008150        
  3    128.4700000              0.0054910        
  4     59.3916000              0.0262340        
  5     29.7136000              0.0694970        
  6     15.2633000              0.1468480        
  7      8.0362600              0.2345940        
  8      4.2458500              0.2883830        
  9      2.2284000              0.2762330        
D   1
  1      1.1499100              1.0000000        
D   1
  1      0.5673150              1.0000000        
D   1
  1      0.2468120              1.0000000        
D   1
  1      0.1045000              1.0000000        
F   1
  1      0.7690000              1.0000000        
F   1
  1      0.3928000              1.0000000        
F   1
  1      0.2007000              1.0000000        
G   1
  1      0.8060000              1.0000000        
G   1
  1      0.3781000              1.0000000        
H   1
  1      0.6931000              1.0000000        


name: cc-pV5Z-PP
description: V5ZP Valence Quintuple Zeta + Polarization on All Atoms
elt: Se
data:
SELENIUM
S   11
  1 190762.0000000              0.0000100        
  2  28502.4000000              0.0000750        
  3   6487.7600000              0.0003850        
  4   1840.1800000              0.0014970        
  5    601.0370000              0.0044470        
  6    211.4850000              0.0088430        
  7     35.5896000              0.1716000        
  8     22.2449000             -0.3405180        
  9     11.1029000             -0.2268530        
 10      5.9155000              0.2167760        
 11      3.0479900              0.6356320        
S   11
  1 190762.0000000             -0.0000040        
  2  28502.4000000             -0.0000290        
  3   6487.7600000             -0.0001460        
  4   1840.1800000             -0.0005970        
  5    601.0370000             -0.0016690        
  6    211.4850000             -0.0036550        
  7     35.5896000             -0.0612610        
  8     22.2449000              0.1275120        
  9     11.1029000              0.0736870        
 10      5.9155000             -0.0771650        
 11      3.0479900             -0.3336460        
S   1
  1      1.5481700              1.0000000        
S   1
  1      0.6147930              1.0000000        
S   1
  1      0.3623130              1.0000000        
S   1
  1      0.1775170              1.0000000        
S   1
  1      0.0822260              1.0000000        
P   9
  1   1292.4900000              0.0000790        
  2    305.0160000              0.0005380        
  3     71.1563000              0.0080750        
  4     33.5594000             -0.0334140        
  5     20.9795000             -0.0709290        
  6      7.9404900              0.2144980        
  7      4.3150100              0.4146170        
  8      2.2857700              0.3654030        
  9      0.5601650              0.0120500        
P   9
  1   1292.4900000             -0.0000220        
  2    305.0160000             -0.0001440        
  3     71.1563000             -0.0022050        
  4     33.5594000              0.0098950        
  5     20.9795000              0.0174690        
  6      7.9404900             -0.0656190        
  7      4.3150100             -0.1221080        
  8      2.2857700             -0.1357460        
  9      0.5601650              0.2708900        
P   1
  1      1.1863400              1.0000000        
P   1
  1      0.2639050              1.0000000        
P   1
  1      0.1215710              1.0000000        
P   1
  1      0.0544860              1.0000000        
D   9
  1   1240.4300000              0.0000690        
  2    376.7540000              0.0007240        
  3    148.2780000              0.0048330        
  4     67.9348000              0.0239000        
  5     34.3765000              0.0661480        
  6     17.7066000              0.1405730        
  7      9.3670100              0.2302450        
  8      4.9782200              0.2893090        
  9      2.6317300              0.2813860        
D   1
  1      1.3692200              1.0000000        
D   1
  1      0.6788170              1.0000000        
D   1
  1      0.2918180              1.0000000        
D   1
  1      0.1234000              1.0000000        
F   1
  1      0.8441000              1.0000000        
F   1
  1      0.4238000              1.0000000        
F   1
  1      0.2128000              1.0000000        
G   1
  1      0.8608000              1.0000000        
G   1
  1      0.3864000              1.0000000        
H   1
  1      0.7361000              1.0000000        


name: cc-pV5Z-PP
description: V5ZP Valence Quintuple Zeta + Polarization on All Atoms
elt: Br
data:
BROMINE
S   11
  1 200938.0000000              0.0000090        
  2  29988.8000000              0.0000670        
  3   6825.5600000              0.0003470        
  4   1940.5200000              0.0013380        
  5    635.8020000              0.0039120        
  6    224.4040000              0.0075260        
  7     37.6333000              0.1644060        
  8     23.5218000             -0.3355150        
  9     11.8595000             -0.2547660        
 10      7.4061100              0.1758060        
 11      3.5814200              0.6294170        
S   11
  1 200938.0000000             -0.0000030        
  2  29988.8000000             -0.0000280        
  3   6825.5600000             -0.0001380        
  4   1940.5200000             -0.0005560        
  5    635.8020000             -0.0015320        
  6    224.4040000             -0.0032430        
  7     37.6333000             -0.0617910        
  8     23.5218000              0.1335230        
  9     11.8595000              0.0836960        
 10      7.4061100             -0.0573700        
 11      3.5814200             -0.3378010        
S   1
  1      1.8335600              1.0000000        
S   1
  1      0.8030160              1.0000000        
S   1
  1      0.4622600              1.0000000        
S   1
  1      0.2196120              1.0000000        
S   1
  1      0.0997550              1.0000000        
P   9
  1   1328.6400000              0.0000980        
  2    312.5360000              0.0006740        
  3     74.1900000              0.0089480        
  4     37.6058000             -0.0249850        
  5     23.5026000             -0.0763880        
  6      8.4691300              0.2141130        
  7      4.7068700              0.4033530        
  8      2.5568200              0.3631400        
  9      0.6468200              0.0142540        
P   9
  1   1328.6400000             -0.0000290        
  2    312.5360000             -0.0001930        
  3     74.1900000             -0.0026800        
  4     37.6058000              0.0083940        
  5     23.5026000              0.0202870        
  6      8.4691300             -0.0716790        
  7      4.7068700             -0.1279330        
  8      2.5568200             -0.1481780        
  9      0.6468200              0.2854460        
P   1
  1      1.3564700              1.0000000        
P   1
  1      0.3078880              1.0000000        
P   1
  1      0.1425070              1.0000000        
P   1
  1      0.0637020              1.0000000        
D   9
  1   1441.5800000              0.0000600        
  2    437.6910000              0.0006250        
  3    172.1530000              0.0041530        
  4     78.2124000              0.0210120        
  5     39.6082000              0.0628140        
  6     20.3440000              0.1358290        
  7     10.7392000              0.2291320        
  8      5.7077300              0.2936930        
  9      3.0219400              0.2863460        
D   1
  1      1.5766900              1.0000000        
D   1
  1      0.7844110              1.0000000        
D   1
  1      0.3352350              1.0000000        
D   1
  1      0.1425000              1.0000000        
F   1
  1      0.9583000              1.0000000        
F   1
  1      0.4974000              1.0000000        
F   1
  1      0.2582000              1.0000000        
G   1
  1      0.9721000              1.0000000        
G   1
  1      0.4390000              1.0000000        
H   1
  1      0.8318000              1.0000000        


name: cc-pV5Z-PP
description: V5ZP Valence Quintuple Zeta + Polarization on All Atoms
elt: Kr
data:
KRYPTON
S   11
  1 196415.0000000              0.0000140        
  2  29445.8000000              0.0001120        
  3   6706.7600000              0.0005750        
  4   1900.0100000              0.0022320        
  5    617.9210000              0.0064930        
  6    216.8900000              0.0120480        
  7     41.4616000              0.1443110        
  8     25.9128000             -0.2218010        
  9     16.1924000             -0.2604670        
 10     10.1151210              0.0080320        
 11      4.4572100              0.5683340        
S   11
  1 196415.0000000             -0.0000060        
  2  29445.8000000             -0.0000500        
  3   6706.7600000             -0.0002510        
  4   1900.0100000             -0.0009970        
  5    617.9210000             -0.0028200        
  6    216.8900000             -0.0055380        
  7     41.4616000             -0.0600470        
  8     25.9128000              0.1056650        
  9     16.1924000              0.0798320        
 10     10.1151210              0.0095470        
 11      4.4572100             -0.2980890        
S   1
  1      2.2989000              1.0000000        
S   1
  1      1.1120300              1.0000000        
S   1
  1      0.5849580              1.0000000        
S   1
  1      0.2695400              1.0000000        
S   1
  1      0.1200660              1.0000000        
P   9
  1   1353.1000000              0.0001210        
  2    318.3800000              0.0008350        
  3     76.7397000              0.0100060        
  4     41.2326000             -0.0194120        
  5     25.7712000             -0.0816420        
  6      9.1185400              0.2117770        
  7      5.1337800              0.4008980        
  8      2.8200200              0.3644850        
  9      0.7289460              0.0143150        
P   9
  1   1353.1000000             -0.0000380        
  2    318.3800000             -0.0002530        
  3     76.7397000             -0.0032220        
  4     41.2326000              0.0073950        
  5     25.7712000              0.0228610        
  6      9.1185400             -0.0758410        
  7      5.1337800             -0.1351730        
  8      2.8200200             -0.1593780        
  9      0.7289460              0.3032220        
P   1
  1      1.5102200              1.0000000        
P   1
  1      0.3497230              1.0000000        
P   1
  1      0.1630940              1.0000000        
P   1
  1      0.0732740              1.0000000        
D   9
  1   1611.8500000              0.0000560        
  2    489.2450000              0.0005850        
  3    192.5350000              0.0038560        
  4     87.2980000              0.0194460        
  5     44.2590000              0.0613320        
  6     22.8320000              0.1327370        
  7     12.0741000              0.2273220        
  8      6.4274800              0.2958740        
  9      3.4104800              0.2902060        
D   1
  1      1.7856000              1.0000000        
D   1
  1      0.8905060              1.0000000        
D   1
  1      0.3778270              1.0000000        
D   1
  1      0.1613000              1.0000000        
F   1
  1      1.0893000              1.0000000        
F   1
  1      0.5909000              1.0000000        
F   1
  1      0.3205000              1.0000000        
G   1
  1      1.1008000              1.0000000        
G   1
  1      0.5006000              1.0000000        
H   1
  1      0.9459000              1.0000000        


name: cc-pV5Z-PP
description: V5ZP Valence Quintuple Zeta + Polarization on All Atoms
elt: Y
data:
YTTRIUM
S   15
  1  14079.8000000              0.0000020        
  2   2247.3800000              0.0000120        
  3    520.2370000              0.0000550        
  4    150.8110000              0.0001820        
  5     24.5030000              0.0063950        
  6     15.2418000             -0.0507640        
  7      9.5008400              0.1584540        
  8      3.8237200             -0.3025540        
  9      2.2758600             -0.3335140        
 10      1.0644100              0.3230000        
 11      0.5855490              0.6589720        
 12      0.3053020              0.3425110        
 13      0.1209720              0.0313300        
 14      0.0663880             -0.0056260        
 15      0.0328380              0.0038640        
S   15
  1  14079.8000000             -0.0000010        
  2   2247.3800000             -0.0000040        
  3    520.2370000             -0.0000170        
  4    150.8110000             -0.0000630        
  5     24.5030000             -0.0018670        
  6     15.2418000              0.0154110        
  7      9.5008400             -0.0501630        
  8      3.8237200              0.1063820        
  9      2.2758600              0.1060530        
 10      1.0644100             -0.1261720        
 11      0.5855490             -0.2894070        
 12      0.3053020             -0.2983620        
 13      0.1209720              0.0703960        
 14      0.0663880              0.5421300        
 15      0.0328380              0.5063430        
S   15
  1  14079.8000000             -0.0000010        
  2   2247.3800000             -0.0000060        
  3    520.2370000             -0.0000390        
  4    150.8110000             -0.0000800        
  5     24.5030000             -0.0044970        
  6     15.2418000              0.0316780        
  7      9.5008400             -0.0959870        
  8      3.8237200              0.2168610        
  9      2.2758600              0.1488480        
 10      1.0644100             -0.1548790        
 11      0.5855490             -0.9680620        
 12      0.3053020             -0.1326710        
 13      0.1209720              1.9311600        
 14      0.0663880              0.0584030        
 15      0.0328380             -1.0476370        
S   15
  1  14079.8000000             -0.0000020        
  2   2247.3800000             -0.0000070        
  3    520.2370000             -0.0000750        
  4    150.8110000             -0.0000600        
  5     24.5030000             -0.0088600        
  6     15.2418000              0.0549640        
  7      9.5008400             -0.1555790        
  8      3.8237200              0.3733420        
  9      2.2758600              0.1832600        
 10      1.0644100             -0.2559760        
 11      0.5855490             -2.6856670        
 12      0.3053020              3.1169230        
 13      0.1209720              1.4891180        
 14      0.0663880             -3.8710430        
 15      0.0328380              1.1354790        
S   15
  1  14079.8000000              0.0000010        
  2   2247.3800000              0.0000200        
  3    520.2370000             -0.0000040        
  4    150.8110000              0.0004190        
  5     24.5030000             -0.0035840        
  6     15.2418000             -0.0088590        
  7      9.5008400              0.0927170        
  8      3.8237200             -0.2082400        
  9      2.2758600             -0.7040030        
 10      1.0644100              1.5832420        
 11      0.5855490              2.2439820        
 12      0.3053020             -6.5232510        
 13      0.1209720              7.7285540        
 14      0.0663880             -4.0430630        
 15      0.0328380             -1.8182600        
S   15
  1  14079.8000000              0.0000010        
  2   2247.3800000             -0.0000700        
  3    520.2370000              0.0002120        
  4    150.8110000             -0.0016450        
  5     24.5030000              0.0374170        
  6     15.2418000             -0.0982160        
  7      9.5008400             -0.0147960        
  8      3.8237200              0.1024510        
  9      2.2758600              2.4700340        
 10      1.0644100            -10.3553030        
 11      0.5855490             13.7413150        
 12      0.3053020             -7.1906790        
 13      0.1209720             -1.6873260        
 14      0.0663880              7.1160260        
 15      0.0328380             -7.0095890        
S   1
  1      0.0163780              1.0000000        
P   12
  1     77.9108000              0.0001380        
  2     13.7037000             -0.0025430        
  3      8.5560000              0.0399220        
  4      5.3433500             -0.0836390        
  5      3.1309600             -0.1096760        
  6      1.2481300              0.2329360        
  7      0.7057070              0.4155860        
  8      0.3920400              0.3493680        
  9      0.2128650              0.1423730        
 10      0.1070420              0.0206040        
 11      0.0543460              0.0016540        
 12      0.0277480              0.0004450        
P   12
  1     77.9108000             -0.0000440        
  2     13.7037000              0.0007800        
  3      8.5560000             -0.0125610        
  4      5.3433500              0.0277150        
  5      3.1309600              0.0321010        
  6      1.2481300             -0.0822140        
  7      0.7057070             -0.1470040        
  8      0.3920400             -0.1728880        
  9      0.2128650             -0.0159480        
 10      0.1070420              0.3279480        
 11      0.0543460              0.5086540        
 12      0.0277480              0.2731240        
P   12
  1     77.9108000             -0.0000870        
  2     13.7037000              0.0013570        
  3      8.5560000             -0.0263010        
  4      5.3433500              0.0568510        
  5      3.1309600              0.0832770        
  6      1.2481300             -0.1786520        
  7      0.7057070             -0.5462370        
  8      0.3920400             -0.3616030        
  9      0.2128650              1.1540840        
 10      0.1070420              0.6563890        
 11      0.0543460             -0.8183480        
 12      0.0277480             -0.3749600        
P   12
  1     77.9108000             -0.0001350        
  2     13.7037000              0.0025540        
  3      8.5560000             -0.0373320        
  4      5.3433500              0.0849530        
  5      3.1309600              0.0909480        
  6      1.2481300             -0.2654300        
  7      0.7057070             -1.0981110        
  8      0.3920400              0.8351060        
  9      0.2128650              1.7852520        
 10      0.1070420             -2.0517060        
 11      0.0543460             -0.3318250        
 12      0.0277480              1.0846930        
P   12
  1     77.9108000             -0.0003270        
  2     13.7037000              0.0107320        
  3      8.5560000             -0.0873380        
  4      5.3433500              0.1815290        
  5      3.1309600              0.1439620        
  6      1.2481300             -0.8796010        
  7      0.7057070             -1.5966240        
  8      0.3920400              4.8613140        
  9      0.2128650             -3.4449480        
 10      0.1070420             -0.7351070        
 11      0.0543460              2.8678810        
 12      0.0277480             -1.6056420        
P   12
  1     77.9108000             -0.0001010        
  2     13.7037000             -0.0058350        
  3      8.5560000             -0.0550890        
  4      5.3433500              0.1703450        
  5      3.1309600              0.4395670        
  6      1.2481300             -4.2725720        
  7      0.7057070              6.2343020        
  8      0.3920400             -2.0751110        
  9      0.2128650             -3.4656920        
 10      0.1070420              5.9121840        
 11      0.0543460             -4.7865070        
 12      0.0277480              1.7266830        
P   1
  1      0.0142710              1.0000000        
D   10
  1     45.4024000              0.0001200        
  2     12.9334000              0.0010990        
  3      4.8006500             -0.0068000        
  4      1.8593400              0.0303570        
  5      1.1169700              0.0992990        
  6      0.6437090              0.1802560        
  7      0.3523490              0.2459700        
  8      0.1853680              0.2811180        
  9      0.0931220              0.2667400        
 10      0.0445400              0.1692660        
D   10
  1     45.4024000             -0.0001510        
  2     12.9334000             -0.0012580        
  3      4.8006500              0.0078620        
  4      1.8593400             -0.0402620        
  5      1.1169700             -0.1228420        
  6      0.6437090             -0.2289480        
  7      0.3523490             -0.2879670        
  8      0.1853680             -0.1377670        
  9      0.0931220              0.2766650        
 10      0.0445400              0.5148560        
D   10
  1     45.4024000              0.0001950        
  2     12.9334000              0.0016130        
  3      4.8006500             -0.0101290        
  4      1.8593400              0.0537820        
  5      1.1169700              0.1808020        
  6      0.6437090              0.3422230        
  7      0.3523490              0.2506190        
  8      0.1853680             -0.5086550        
  9      0.0931220             -0.6756680        
 10      0.0445400              0.4144900        
D   10
  1     45.4024000             -0.0001840        
  2     12.9334000             -0.0030890        
  3      4.8006500              0.0194310        
  4      1.8593400             -0.0954860        
  5      1.1169700             -0.3003170        
  6      0.6437090             -0.6932980        
  7      0.3523490              0.7279550        
  8      0.1853680              1.0036120        
  9      0.0931220             -1.1469290        
 10      0.0445400             -0.2917490        
D   10
  1     45.4024000             -0.0003570        
  2     12.9334000             -0.0039810        
  3      4.8006500              0.0278630        
  4      1.8593400             -0.1590440        
  5      1.1169700             -0.8147140        
  6      0.6437090             -0.0017590        
  7      0.3523490              2.1872360        
  8      0.1853680             -2.0397820        
  9      0.0931220             -0.0556930        
 10      0.0445400              1.4099920        
D   1
  1      0.0200680              1.0000000        
F   1
  1      1.6458000              1.0000000        
F   1
  1      0.5735000              1.0000000        
F   1
  1      0.1999000              1.0000000        
F   1
  1      0.0697000              1.0000000        
G   1
  1      0.9326000              1.0000000        
G   1
  1      0.3358000              1.0000000        
G   1
  1      0.1209000              1.0000000        
H   1
  1      0.6710000              1.0000000        
H   1
  1      0.2242000              1.0000000        
I   1
  1      0.3993000              1.0000000        


name: cc-pV5Z-PP
description: V5ZP Valence Quintuple Zeta + Polarization on All Atoms
elt: Pd
data:
PALLADIUM
S   15
  1  23205.8000000              0.0000040        
  2   3771.3900000              0.0000260        
  3    844.9990000              0.0001310        
  4    225.9440000              0.0004110        
  5     38.8963000              0.0090500        
  6     24.1744000             -0.0704390        
  7     15.0365000              0.2205020        
  8      6.3733900             -0.3870080        
  9      3.9804400             -0.3797990        
 10      1.9137000              0.4295680        
 11      1.0468500              0.6843810        
 12      0.5411240              0.2882870        
 13      0.2196040              0.0221970        
 14      0.1112430             -0.0015960        
 15      0.0534930              0.0027420        
S   15
  1  23205.8000000             -0.0000010        
  2   3771.3900000             -0.0000080        
  3    844.9990000             -0.0000400        
  4    225.9440000             -0.0001360        
  5     38.8963000             -0.0024860        
  6     24.1744000              0.0201470        
  7     15.0365000             -0.0662560        
  8      6.3733900              0.1325870        
  9      3.9804400              0.1092390        
 10      1.9137000             -0.1627670        
 11      1.0468500             -0.2960000        
 12      0.5411240             -0.2160960        
 13      0.2196040              0.0963740        
 14      0.1112430              0.4558370        
 15      0.0534930              0.4989750        
S   15
  1  23205.8000000             -0.0000030        
  2   3771.3900000             -0.0000180        
  3    844.9990000             -0.0000910        
  4    225.9440000             -0.0002830        
  5     38.8963000             -0.0057460        
  6     24.1744000              0.0444640        
  7     15.0365000             -0.1445380        
  8      6.3733900              0.2911970        
  9      3.9804400              0.2762860        
 10      1.9137000             -0.4601500        
 11      1.0468500             -1.1330410        
 12      0.5411240              0.4924230        
 13      0.2196040              1.3766480        
 14      0.1112430              0.0484350        
 15      0.0534930             -0.6259790        
S   15
  1  23205.8000000             -0.0000030        
  2   3771.3900000             -0.0000290        
  3    844.9990000             -0.0001140        
  4    225.9440000             -0.0005170        
  5     38.8963000             -0.0045640        
  6     24.1744000              0.0489840        
  7     15.0365000             -0.1846820        
  8      6.3733900              0.3146920        
  9      3.9804400              0.8163900        
 10      1.9137000             -1.8779410        
 11      1.0468500             -1.1420460        
 12      0.5411240              3.0474940        
 13      0.2196040             -0.1049950        
 14      0.1112430             -2.0487230        
 15      0.0534930              0.3851940        
S   15
  1  23205.8000000              0.0000050        
  2   3771.3900000              0.0000500        
  3    844.9990000              0.0001360        
  4    225.9440000              0.0009530        
  5     38.8963000              0.0001240        
  6     24.1744000             -0.0460830        
  7     15.0365000              0.2371650        
  8      6.3733900             -0.3984760        
  9      3.9804400             -1.8326780        
 10      1.9137000              6.8724880        
 11      1.0468500             -6.1783150        
 12      0.5411240             -0.2248680        
 13      0.2196040              4.6156480        
 14      0.1112430             -3.4660850        
 15      0.0534930             -0.4541080        
S   15
  1  23205.8000000              0.0000210        
  2   3771.3900000             -0.0000440        
  3    844.9990000              0.0011420        
  4    225.9440000             -0.0025270        
  5     38.8963000              0.1585010        
  6     24.1744000             -0.7129760        
  7     15.0365000              1.4991850        
  8      6.3733900             -4.6944470        
  9      3.9804400              4.5188420        
 10      1.9137000              4.6444410        
 11      1.0468500            -12.5365850        
 12      0.5411240             11.3925910        
 13      0.2196040             -6.2020290        
 14      0.1112430              1.0900570        
 15      0.0534930              2.5822440        
S   1
  1      0.0257800              1.0000000        
P   12
  1    135.2730000              0.0001860        
  2     23.0761000             -0.0042710        
  3     14.4134000              0.0572330        
  4      9.0041900             -0.1141790        
  5      5.4158400             -0.1393110        
  6      2.3507900              0.2759960        
  7      1.3344000              0.4534040        
  8      0.7335470              0.3309520        
  9      0.3901660              0.1132910        
 10      0.1885570              0.0133410        
 11      0.0914820              0.0008830        
 12      0.0443940              0.0001700        
P   12
  1    135.2730000              0.0000520        
  2     23.0761000             -0.0011170        
  3     14.4134000              0.0158880        
  4      9.0041900             -0.0339130        
  5      5.4158400             -0.0359330        
  6      2.3507900              0.0898220        
  7      1.3344000              0.1469780        
  8      0.7335470              0.1251760        
  9      0.3901660             -0.0286040        
 10      0.1885570             -0.2727070        
 11      0.0914820             -0.4437890        
 12      0.0443940             -0.3369100        
P   12
  1    135.2730000             -0.0001040        
  2     23.0761000              0.0019740        
  3     14.4134000             -0.0321810        
  4      9.0041900              0.0679970        
  5      5.4158400              0.0879620        
  6      2.3507900             -0.2180220        
  7      1.3344000             -0.3798210        
  8      0.7335470             -0.1555920        
  9      0.3901660              0.3620100        
 10      0.1885570              0.5655060        
 11      0.0914820              0.2574090        
 12      0.0443940              0.0354870        
P   12
  1    135.2730000             -0.0001310        
  2     23.0761000              0.0009520        
  3     14.4134000             -0.0422710        
  4      9.0041900              0.0863860        
  5      5.4158400              0.2024090        
  6      2.3507900             -0.5619670        
  7      1.3344000             -0.7866710        
  8      0.7335470              0.6594830        
  9      0.3901660              1.0680100        
 10      0.1885570             -0.3256270        
 11      0.0914820             -0.6924840        
 12      0.0443940             -0.0896270        
P   12
  1    135.2730000             -0.0003150        
  2     23.0761000              0.0070780        
  3     14.4134000             -0.0921880        
  4      9.0041900              0.1858700        
  5      5.4158400              0.3626280        
  6      2.3507900             -1.9075530        
  7      1.3344000              0.2850310        
  8      0.7335470              2.6540280        
  9      0.3901660             -1.6918510        
 10      0.1885570             -0.9002340        
 11      0.0914820              0.9919570        
 12      0.0443940              0.1504650        
P   12
  1    135.2730000              0.0026410        
  2     23.0761000             -0.1240410        
  3     14.4134000              0.6943910        
  4      9.0041900             -1.6053290        
  5      5.4158400              0.9787740        
  6      2.3507900              3.7381710        
  7      1.3344000             -7.0266130        
  8      0.7335470              4.4199910        
  9      0.3901660              0.2264390        
 10      0.1885570             -2.0342680        
 11      0.0914820              0.8948020        
 12      0.0443940              0.2625200        
P   1
  1      0.0213240              1.0000000        
D   10
  1    167.0870000              0.0000670        
  2     50.0032000              0.0005480        
  3     16.8214000              0.0048040        
  4      8.3725000             -0.0260080        
  5      3.2530000              0.1117880        
  6      1.8099900              0.2537740        
  7      0.9770620              0.3178150        
  8      0.5108750              0.2844650        
  9      0.2575330              0.1902230        
 10      0.1240940              0.0840140        
D   10
  1    167.0870000             -0.0000710        
  2     50.0032000             -0.0006690        
  3     16.8214000             -0.0050930        
  4      8.3725000              0.0289100        
  5      3.2530000             -0.1420360        
  6      1.8099900             -0.3472040        
  7      0.9770620             -0.2840980        
  8      0.5108750              0.1173250        
  9      0.2575330              0.4242370        
 10      0.1240940              0.3951490        
D   10
  1    167.0870000             -0.0001380        
  2     50.0032000             -0.0007620        
  3     16.8214000             -0.0090550        
  4      8.3725000              0.0494340        
  5      3.2530000             -0.2791340        
  6      1.8099900             -0.6165230        
  7      0.9770620              0.1959360        
  8      0.5108750              0.7916730        
  9      0.2575330              0.1203390        
 10      0.1240940             -0.5738380        
D   10
  1    167.0870000             -0.0004510        
  2     50.0032000              0.0004420        
  3     16.8214000             -0.0252640        
  4      8.3725000              0.1211200        
  5      3.2530000             -0.8240850        
  6      1.8099900             -0.4459430        
  7      0.9770620              1.7601450        
  8      0.5108750             -0.4859570        
  9      0.2575330             -0.9235150        
 10      0.1240940              0.3647560        
D   10
  1    167.0870000              0.0004100        
  2     50.0032000              0.0008160        
  3     16.8214000              0.0269820        
  4      8.3725000             -0.1669320        
  5      3.2530000              1.9129540        
  6      1.8099900             -2.1612950        
  7      0.9770620             -0.3296250        
  8      0.5108750              2.2594400        
  9      0.2575330             -1.6367960        
 10      0.1240940             -0.1129480        
D   1
  1      0.0555480              1.0000000        
F   1
  1      6.0582000              1.0000000        
F   1
  1      2.2929000              1.0000000        
F   1
  1      0.8678000              1.0000000        
F   1
  1      0.3284000              1.0000000        
G   1
  1      3.0536000              1.0000000        
G   1
  1      1.2845000              1.0000000        
G   1
  1      0.5403000              1.0000000        
H   1
  1      2.5202000              1.0000000        
H   1
  1      0.9498000              1.0000000        
I   1
  1      2.0051000              1.0000000        


name: cc-pV5Z-PP
description: V5ZP Valence Quintuple Zeta + Polarization on All Atoms
elt: Ag
data:
SILVER
S   15
  1  25508.1000000              0.0000040        
  2   3866.3000000              0.0000280        
  3    865.7950000              0.0001350        
  4    233.7790000              0.0004160        
  5     37.2712000              0.0127210        
  6     23.2321000             -0.1060860        
  7     14.4818000              0.3478570        
  8      7.3301500             -0.4498720        
  9      4.5473600             -0.4203070        
 10      2.0080500              0.4493320        
 11      1.1266200              0.6736920        
 12      0.5879060              0.2820160        
 13      0.2291650              0.0195830        
 14      0.1193530             -0.0022100        
 15      0.0574270              0.0027200        
S   15
  1  25508.1000000             -0.0000010        
  2   3866.3000000             -0.0000090        
  3    865.7950000             -0.0000390        
  4    233.7790000             -0.0001340        
  5     37.2712000             -0.0032320        
  6     23.2321000              0.0285990        
  7     14.4818000             -0.0993380        
  8      7.3301500              0.1440280        
  9      4.5473600              0.1160400        
 10      2.0080500             -0.1592840        
 11      1.1266200             -0.2796960        
 12      0.5879060             -0.2088490        
 13      0.2291650              0.0876200        
 14      0.1193530              0.4317620        
 15      0.0574270              0.5040820        
S   15
  1  25508.1000000             -0.0000020        
  2   3866.3000000             -0.0000170        
  3    865.7950000             -0.0000820        
  4    233.7790000             -0.0002540        
  5     37.2712000             -0.0069860        
  6     23.2321000              0.0587420        
  7     14.4818000             -0.2016470        
  8      7.3301500              0.2988210        
  9      4.5473600              0.2442880        
 10      2.0080500             -0.3773370        
 11      1.1266200             -0.9639450        
 12      0.5879060              0.3002400        
 13      0.2291650              1.2470290        
 14      0.1193530              0.2516930        
 15      0.0574270             -0.5123710        
S   15
  1  25508.1000000             -0.0000040        
  2   3866.3000000             -0.0000300        
  3    865.7950000             -0.0001270        
  4    233.7790000             -0.0004850        
  5     37.2712000             -0.0087960        
  6     23.2321000              0.0844370        
  7     14.4818000             -0.3097690        
  8      7.3301500              0.4106920        
  9      4.5473600              0.7069170        
 10      2.0080500             -1.6230910        
 11      1.1266200             -1.3670390        
 12      0.5879060              2.8875900        
 13      0.2291650              0.3739690        
 14      0.1193530             -2.0992070        
 15      0.0574270              0.0811730        
S   15
  1  25508.1000000              0.0000040        
  2   3866.3000000              0.0000500        
  3    865.7950000              0.0001230        
  4    233.7790000              0.0009330        
  5     37.2712000              0.0002690        
  6     23.2321000             -0.0650020        
  7     14.4818000              0.3349260        
  8      7.3301500             -0.3194330        
  9      4.5473600             -1.8296210        
 10      2.0080500              6.6173400        
 11      1.1266200             -5.7144920        
 12      0.5879060             -0.6955270        
 13      0.2291650              4.6598300        
 14      0.1193530             -3.0805350        
 15      0.0574270             -0.9140990        
S   15
  1  25508.1000000              0.0000170        
  2   3866.3000000             -0.0000190        
  3    865.7950000              0.0009450        
  4    233.7790000             -0.0016800        
  5     37.2712000              0.1524090        
  6     23.2321000             -0.7759530        
  7     14.4818000              1.9303510        
  8      7.3301500             -4.2339830        
  9      4.5473600              2.6067280        
 10      2.0080500              7.2255220        
 11      1.1266200            -14.6194840        
 12      0.5879060             11.5983870        
 13      0.2291650             -5.3179280        
 14      0.1193530              0.0988350        
 15      0.0574270              3.1887390        
S   1
  1      0.0274470              1.0000000        
P   12
  1    260.3710000              0.0000690        
  2     41.8770000              0.0022080        
  3     26.0818000             -0.0147130        
  4     16.2999000              0.0615000        
  5      7.3321200             -0.2486090        
  6      3.6115300             -0.0118610        
  7      2.2577400              0.4010540        
  8      1.1956300              0.4854900        
  9      0.6173070              0.2548630        
 10      0.2882140              0.0438670        
 11      0.1338710              0.0004240        
 12      0.0606670              0.0010760        
P   12
  1    260.3710000             -0.0000210        
  2     41.8770000             -0.0004160        
  3     26.0818000              0.0031050        
  4     16.2999000             -0.0149150        
  5      7.3321200              0.0668090        
  6      3.6115300             -0.0026860        
  7      2.2577400             -0.1167180        
  8      1.1956300             -0.1647480        
  9      0.6173070             -0.0798760        
 10      0.2882140              0.1495800        
 11      0.1338710              0.4198200        
 12      0.0606670              0.4512040        
P   12
  1    260.3710000             -0.0000430        
  2     41.8770000             -0.0008860        
  3     26.0818000              0.0065390        
  4     16.2999000             -0.0310780        
  5      7.3321200              0.1388240        
  6      3.6115300              0.0073970        
  7      2.2577400             -0.2866860        
  8      1.1956300             -0.3796850        
  9      0.6173070              0.0463330        
 10      0.2882140              0.5493950        
 11      0.1338710              0.4688010        
 12      0.0606670              0.1012000        
P   12
  1    260.3710000             -0.0000760        
  2     41.8770000             -0.0015200        
  3     26.0818000              0.0113040        
  4     16.2999000             -0.0549030        
  5      7.3321200              0.2531400        
  6      3.6115300              0.0793900        
  7      2.2577400             -0.8748950        
  8      1.1956300             -0.4976100        
  9      0.6173070              1.2448050        
 10      0.2882140              0.5008560        
 11      0.1338710             -0.8438290        
 12      0.0606670             -0.2683590        
P   12
  1    260.3710000              0.0001220        
  2     41.8770000              0.0020380        
  3     26.0818000             -0.0168560        
  4     16.2999000              0.0870650        
  5      7.3321200             -0.4436140        
  6      3.6115300             -0.0954220        
  7      2.2577400              2.4160670        
  8      1.1956300             -1.9911940        
  9      0.6173070             -1.0682060        
 10      0.2882140              2.2401820        
 11      0.1338710             -0.6925270        
 12      0.0606670             -0.5043030        
P   12
  1    260.3710000             -0.0002500        
  2     41.8770000              0.0290440        
  3     26.0818000             -0.1328380        
  4     16.2999000              0.3460190        
  5      7.3321200             -1.5383300        
  6      3.6115300              3.6966010        
  7      2.2577400             -0.9815190        
  8      1.1956300             -4.0384050        
  9      0.6173070              4.6615100        
 10      0.2882140             -2.0830800        
 11      0.1338710             -0.3652860        
 12      0.0606670              0.8759320        
P   1
  1      0.0269870              1.0000000        
D   10
  1    210.1510000              0.0000520        
  2     63.2213000              0.0004340        
  3     22.1947000              0.0029780        
  4      9.1637800             -0.0210360        
  5      3.6926500              0.0894730        
  6      2.1724700              0.2311140        
  7      1.2150400              0.3114170        
  8      0.6545310              0.2939390        
  9      0.3396100              0.2033710        
 10      0.1684380              0.0909880        
D   10
  1    210.1510000             -0.0000660        
  2     63.2213000             -0.0005960        
  3     22.1947000             -0.0037550        
  4      9.1637800              0.0277510        
  5      3.6926500             -0.1382930        
  6      2.1724700             -0.3844080        
  7      1.2150400             -0.3282910        
  8      0.6545310              0.1446150        
  9      0.3396100              0.4584850        
 10      0.1684380              0.3562670        
D   10
  1    210.1510000             -0.0001370        
  2     63.2213000             -0.0004700        
  3     22.1947000             -0.0067560        
  4      9.1637800              0.0471090        
  5      3.6926500             -0.2590530        
  6      2.1724700             -0.6886270        
  7      1.2150400              0.2530610        
  8      0.6545310              0.8530670        
  9      0.3396100              0.0652370        
 10      0.1684380             -0.6296830        
D   10
  1    210.1510000             -0.0004150        
  2     63.2213000              0.0006290        
  3     22.1947000             -0.0178470        
  4      9.1637800              0.1162800        
  5      3.6926500             -0.8457040        
  6      2.1724700             -0.5895720        
  7      1.2150400              2.0652320        
  8      0.6545310             -0.6109170        
  9      0.3396100             -1.0511820        
 10      0.1684380              0.5253630        
D   10
  1    210.1510000              0.0003520        
  2     63.2213000              0.0007750        
  3     22.1947000              0.0185820        
  4      9.1637800             -0.1729500        
  5      3.6926500              2.3357180        
  6      2.1724700             -2.8172180        
  7      1.2150400             -0.1337660        
  8      0.6545310              2.5210640        
  9      0.3396100             -1.9791920        
 10      0.1684380              0.0719550        
D   1
  1      0.0778390              1.0000000        
F   1
  1      6.8653000              1.0000000        
F   1
  1      2.6130000              1.0000000        
F   1
  1      0.9945000              1.0000000        
F   1
  1      0.3785000              1.0000000        
G   1
  1      3.4082000              1.0000000        
G   1
  1      1.4573000              1.0000000        
G   1
  1      0.6232000              1.0000000        
H   1
  1      2.8332000              1.0000000        
H   1
  1      1.0814000              1.0000000        
I   1
  1      2.2640000              1.0000000        


