# all_value

name: aug-cc-pwCVTZ-DK
description: N/A
elt: Tc
data:
TECHNETIUM
S   25
  1 178961000.0000000           0.0000430        
  2 28148200.0000000            0.0001140        
  3 5914010.0000000             0.0003140        
  4 1552760.0000000             0.0007180        
  5 482395.0000000              0.0015410        
  6 169737.0000000              0.0031420        
  7  65376.0000000              0.0063430        
  8  26865.3000000              0.0128650        
  9  11564.1000000              0.0265800        
 10   5150.3200000              0.0553900        
 11   2355.6900000              0.1125490        
 12   1102.3400000              0.2063370        
 13    527.0590000              0.2990520        
 14    257.4680000              0.2719330        
 15    128.5040000              0.1126190        
 16     65.4587000              0.0375590        
 17     33.9144000              0.0437580        
 18     17.7481000              0.0196590        
 19      9.2726700              0.0081340        
 20      4.7523800              0.0081610        
 21      2.3310300              0.0020330        
 22      1.1301700             -0.0000570        
 23      0.5131080              0.0000130        
 24      0.1304190             -0.0000100        
 25      0.0638980              0.0000070        
S   25
  1 178961000.0000000          -0.0000190        
  2 28148200.0000000           -0.0000490        
  3 5914010.0000000            -0.0001350        
  4 1552760.0000000            -0.0003090        
  5 482395.0000000             -0.0006650        
  6 169737.0000000             -0.0013590        
  7  65376.0000000             -0.0027560        
  8  26865.3000000             -0.0056310        
  9  11564.1000000             -0.0117810        
 10   5150.3200000             -0.0250750        
 11   2355.6900000             -0.0530900        
 12   1102.3400000             -0.1052320        
 13    527.0590000             -0.1783810        
 14    257.4680000             -0.2095460        
 15    128.5040000             -0.0629670        
 16     65.4587000              0.3179020        
 17     33.9144000              0.5332110        
 18     17.7481000              0.2551560        
 19      9.2726700              0.0449990        
 20      4.7523800              0.0227030        
 21      2.3310300              0.0049700        
 22      1.1301700             -0.0002370        
 23      0.5131080             -0.0000920        
 24      0.1304190             -0.0000180        
 25      0.0638980              0.0000080        
S   25
  1 178961000.0000000           0.0000060        
  2 28148200.0000000            0.0000170        
  3 5914010.0000000             0.0000460        
  4 1552760.0000000             0.0001060        
  5 482395.0000000              0.0002290        
  6 169737.0000000              0.0004680        
  7  65376.0000000              0.0009530        
  8  26865.3000000              0.0019510        
  9  11564.1000000              0.0041130        
 10   5150.3200000              0.0088260        
 11   2355.6900000              0.0191010        
 12   1102.3400000              0.0390900        
 13    527.0590000              0.0709630        
 14    257.4680000              0.0909350        
 15    128.5040000              0.0274540        
 16     65.4587000             -0.2234740        
 17     33.9144000             -0.5028100        
 18     17.7481000             -0.2858970        
 19      9.2726700              0.4598010        
 20      4.7523800              0.7330610        
 21      2.3310300              0.1760240        
 22      1.1301700              0.0021870        
 23      0.5131080              0.0024930        
 24      0.1304190             -0.0002820        
 25      0.0638980              0.0002220        
S   25
  1 178961000.0000000          -0.0000030        
  2 28148200.0000000           -0.0000070        
  3 5914010.0000000            -0.0000180        
  4 1552760.0000000            -0.0000420        
  5 482395.0000000             -0.0000910        
  6 169737.0000000             -0.0001850        
  7  65376.0000000             -0.0003770        
  8  26865.3000000             -0.0007720        
  9  11564.1000000             -0.0016260        
 10   5150.3200000             -0.0034910        
 11   2355.6900000             -0.0075330        
 12   1102.3400000             -0.0154220        
 13    527.0590000             -0.0278620        
 14    257.4680000             -0.0359250        
 15    128.5040000             -0.0107650        
 16     65.4587000              0.0918410        
 17     33.9144000              0.2257930        
 18     17.7481000              0.1309140        
 19      9.2726700             -0.2642190        
 20      4.7523800             -0.7202240        
 21      2.3310300             -0.1028710        
 22      1.1301700              0.8117620        
 23      0.5131080              0.5218420        
 24      0.1304190              0.0351890        
 25      0.0638980             -0.0127690        
S   25
  1 178961000.0000000           0.0000010        
  2 28148200.0000000            0.0000020        
  3 5914010.0000000             0.0000050        
  4 1552760.0000000             0.0000110        
  5 482395.0000000              0.0000240        
  6 169737.0000000              0.0000500        
  7  65376.0000000              0.0001010        
  8  26865.3000000              0.0002070        
  9  11564.1000000              0.0004350        
 10   5150.3200000              0.0009350        
 11   2355.6900000              0.0020160        
 12   1102.3400000              0.0041320        
 13    527.0590000              0.0074660        
 14    257.4680000              0.0096460        
 15    128.5040000              0.0028900        
 16     65.4587000             -0.0248900        
 17     33.9144000             -0.0618080        
 18     17.7481000             -0.0362310        
 19      9.2726700              0.0754020        
 20      4.7523800              0.2236020        
 21      2.3310300              0.0248900        
 22      1.1301700             -0.3329940        
 23      0.5131080             -0.3418400        
 24      0.1304190              0.2850890        
 25      0.0638980              0.6232290        
S   25
  1 178961000.0000000           0.0000010        
  2 28148200.0000000            0.0000030        
  3 5914010.0000000             0.0000090        
  4 1552760.0000000             0.0000220        
  5 482395.0000000              0.0000470        
  6 169737.0000000              0.0000950        
  7  65376.0000000              0.0001960        
  8  26865.3000000              0.0003890        
  9  11564.1000000              0.0008580        
 10   5150.3200000              0.0017310        
 11   2355.6900000              0.0040390        
 12   1102.3400000              0.0074900        
 13    527.0590000              0.0154580        
 14    257.4680000              0.0157540        
 15    128.5040000              0.0122800        
 16     65.4587000             -0.0635560        
 17     33.9144000             -0.0871020        
 18     17.7481000             -0.1366610        
 19      9.2726700              0.2761530        
 20      4.7523800              0.2425900        
 21      2.3310300              0.4418520        
 22      1.1301700             -1.6460860        
 23      0.5131080              0.4232050        
 24      0.1304190              2.2050540        
 25      0.0638980             -1.4702530        
S   25
  1 178961000.0000000           0.0000020        
  2 28148200.0000000            0.0000050        
  3 5914010.0000000             0.0000150        
  4 1552760.0000000             0.0000330        
  5 482395.0000000              0.0000720        
  6 169737.0000000              0.0001460        
  7  65376.0000000              0.0003030        
  8  26865.3000000              0.0006030        
  9  11564.1000000              0.0013250        
 10   5150.3200000              0.0026850        
 11   2355.6900000              0.0062370        
 12   1102.3400000              0.0116520        
 13    527.0590000              0.0238440        
 14    257.4680000              0.0248310        
 15    128.5040000              0.0182700        
 16     65.4587000             -0.0979380        
 17     33.9144000             -0.1470280        
 18     17.7481000             -0.1982040        
 19      9.2726700              0.4388850        
 20      4.7523800              0.5325560        
 21      2.3310300              0.4184560        
 22      1.1301700             -3.6812570        
 23      0.5131080              3.8999050        
 24      0.1304190             -1.5926540        
 25      0.0638980             -0.6172010        
S   1
  1      0.0284770              1.0000000        
S   1
  1      2.9549000              1.0000000        
S   1
  1      0.7437000              1.0000000        
S   1
  1      0.0127000              1.0000000        
P   20
  1 1341110.0000000             0.0000150        
  2 223449.0000000              0.0000540        
  3  50289.1000000              0.0002060        
  4  14301.8000000              0.0007400        
  5   4864.9100000              0.0026260        
  6   1893.2600000              0.0089310        
  7    813.7200000              0.0278940        
  8    375.8210000              0.0769050        
  9    182.6910000              0.1751450        
 10     92.0455000              0.3045590        
 11     47.5245000              0.3498630        
 12     24.9323000              0.2044260        
 13     13.1975000              0.0401360        
 14      7.0011400             -0.0078320        
 15      3.6931800             -0.0064270        
 16      1.9177400             -0.0009580        
 17      0.9528720              0.0000480        
 18      0.4573390              0.0001060        
 19      0.1805310              0.0000040        
 20      0.0752910              0.0000030        
P   20
  1 1341110.0000000            -0.0000060        
  2 223449.0000000             -0.0000230        
  3  50289.1000000             -0.0000850        
  4  14301.8000000             -0.0003070        
  5   4864.9100000             -0.0010940        
  6   1893.2600000             -0.0037460        
  7    813.7200000             -0.0118550        
  8    375.8210000             -0.0335210        
  9    182.6910000             -0.0795270        
 10     92.0455000             -0.1460930        
 11     47.5245000             -0.1725010        
 12     24.9323000             -0.0163100        
 13     13.1975000              0.2987230        
 14      7.0011400              0.4925100        
 15      3.6931800              0.2883970        
 16      1.9177400              0.0435590        
 17      0.9528720             -0.0007580        
 18      0.4573390             -0.0025530        
 19      0.1805310             -0.0001370        
 20      0.0752910             -0.0000690        
P   20
  1 1341110.0000000             0.0000020        
  2 223449.0000000              0.0000090        
  3  50289.1000000              0.0000330        
  4  14301.8000000              0.0001170        
  5   4864.9100000              0.0004190        
  6   1893.2600000              0.0014340        
  7    813.7200000              0.0045490        
  8    375.8210000              0.0128910        
  9    182.6910000              0.0307600        
 10     92.0455000              0.0568800        
 11     47.5245000              0.0675890        
 12     24.9323000             -0.0012950        
 13     13.1975000             -0.1455070        
 14      7.0011400             -0.2719500        
 15      3.6931800             -0.1411130        
 16      1.9177400              0.3140090        
 17      0.9528720              0.5364510        
 18      0.4573390              0.3167580        
 19      0.1805310              0.0478290        
 20      0.0752910             -0.0030480        
P   20
  1 1341110.0000000            -0.0000010        
  2 223449.0000000             -0.0000020        
  3  50289.1000000             -0.0000090        
  4  14301.8000000             -0.0000320        
  5   4864.9100000             -0.0001130        
  6   1893.2600000             -0.0003850        
  7    813.7200000             -0.0012240        
  8    375.8210000             -0.0034600        
  9    182.6910000             -0.0082870        
 10     92.0455000             -0.0152770        
 11     47.5245000             -0.0183080        
 12     24.9323000              0.0008390        
 13     13.1975000              0.0399270        
 14      7.0011400              0.0775620        
 15      3.6931800              0.0366150        
 16      1.9177400             -0.1039740        
 17      0.9528720             -0.2105780        
 18      0.4573390             -0.1018400        
 19      0.1805310              0.2924190        
 20      0.0752910              0.5825860        
P   20
  1 1341110.0000000            -0.0000010        
  2 223449.0000000             -0.0000040        
  3  50289.1000000             -0.0000140        
  4  14301.8000000             -0.0000510        
  5   4864.9100000             -0.0001840        
  6   1893.2600000             -0.0006260        
  7    813.7200000             -0.0020040        
  8    375.8210000             -0.0056270        
  9    182.6910000             -0.0135870        
 10     92.0455000             -0.0247950        
 11     47.5245000             -0.0302750        
 12     24.9323000              0.0022220        
 13     13.1975000              0.0637270        
 14      7.0011400              0.1306480        
 15      3.6931800              0.0554210        
 16      1.9177400             -0.1678540        
 17      0.9528720             -0.3953770        
 18      0.4573390             -0.0513970        
 19      0.1805310              0.6680980        
 20      0.0752910              0.4465640        
P   20
  1 1341110.0000000            -0.0000020        
  2 223449.0000000             -0.0000060        
  3  50289.1000000             -0.0000230        
  4  14301.8000000             -0.0000820        
  5   4864.9100000             -0.0002990        
  6   1893.2600000             -0.0009910        
  7    813.7200000             -0.0032650        
  8    375.8210000             -0.0088730        
  9    182.6910000             -0.0222830        
 10     92.0455000             -0.0386770        
 11     47.5245000             -0.0517820        
 12     24.9323000              0.0107390        
 13     13.1975000              0.0937030        
 14      7.0011400              0.2422200        
 15      3.6931800              0.0577850        
 16      1.9177400             -0.3227350        
 17      0.9528720             -1.0029390        
 18      0.4573390              1.2167690        
 19      0.1805310              0.6344150        
 20      0.0752910             -1.0760190        
P   1
  1      0.0304790              1.0000000        
P   1
  1      3.1053000              1.0000000        
P   1
  1      0.8939000              1.0000000        
P   1
  1      0.0123000              1.0000000        
D   13
  1   2481.8700000              0.0001470        
  2    697.0580000              0.0013290        
  3    257.4370000              0.0079720        
  4    111.6320000              0.0320700        
  5     52.8611000              0.0959310        
  6     26.2047000              0.2127570        
  7     13.2981000              0.3266690        
  8      6.8185100              0.3388620        
  9      3.4826200              0.1933480        
 10      1.7064600              0.0433620        
 11      0.8045800              0.0020080        
 12      0.3630130              0.0004560        
 13      0.1545410             -0.0000580        
D   13
  1   2481.8700000             -0.0000400        
  2    697.0580000             -0.0003670        
  3    257.4370000             -0.0022000        
  4    111.6320000             -0.0089220        
  5     52.8611000             -0.0269030        
  6     26.2047000             -0.0603340        
  7     13.2981000             -0.0893810        
  8      6.8185100             -0.0847870        
  9      3.4826200              0.0209990        
 10      1.7064600              0.2292420        
 11      0.8045800              0.3731980        
 12      0.3630130              0.3559500        
 13      0.1545410              0.2172430        
D   13
  1   2481.8700000              0.0000400        
  2    697.0580000              0.0003580        
  3    257.4370000              0.0021620        
  4    111.6320000              0.0087300        
  5     52.8611000              0.0265440        
  6     26.2047000              0.0593390        
  7     13.2981000              0.0873960        
  8      6.8185100              0.0756220        
  9      3.4826200             -0.0335180        
 10      1.7064600             -0.2818520        
 11      0.8045800             -0.3974720        
 12      0.3630130              0.0432450        
 13      0.1545410              0.5763730        
D   13
  1   2481.8700000             -0.0000630        
  2    697.0580000             -0.0005610        
  3    257.4370000             -0.0034270        
  4    111.6320000             -0.0137590        
  5     52.8611000             -0.0424820        
  6     26.2047000             -0.0941600        
  7     13.2981000             -0.1349860        
  8      6.8185100             -0.0964510        
  9      3.4826200              0.1169460        
 10      1.7064600              0.6181420        
 11      0.8045800              0.1134760        
 12      0.3630130             -0.9378260        
 13      0.1545410              0.0451100        
D   1
  1      0.0602240              1.0000000        
D   1
  1      1.9326000              1.0000000        
D   1
  1      0.9486000              1.0000000        
D   1
  1      0.0235000              1.0000000        
F   1
  1      2.2152000              1.0000000        
F   1
  1      0.9564000              1.0000000        
F   1
  1      0.3737000              1.0000000        
F   1
  1      0.1460000              1.0000000        
G   1
  1      2.0514000              1.0000000        
G   1
  1      0.8539000              1.0000000        
G   1
  1      0.3554000              1.0000000


name: aug-cc-pwCVTZ-DK
description: N/A
elt: Ru
data:
RUTHENIUM
S   25
  1 192708000.0000000           0.0000430        
  2 30168800.0000000            0.0001140        
  3 6339070.0000000             0.0003130        
  4 1668940.0000000             0.0007100        
  5 520455.0000000              0.0015130        
  6 183800.0000000              0.0030630        
  7  70986.5000000              0.0061410        
  8  29211.0000000              0.0123760        
  9  12572.0000000              0.0254270        
 10   5590.3500000              0.0527840        
 11   2549.9300000              0.1071880        
 12   1189.0600000              0.1971680        
 13    566.3840000              0.2875370        
 14    275.7140000              0.2633660        
 15    137.2420000              0.1126640        
 16     69.8096000              0.0551880        
 17     36.1751000              0.0735220        
 18     18.9686000              0.0345760        
 19      9.9474900              0.0113210        
 20      5.1249000              0.0102330        
 21      2.5290800              0.0025890        
 22      1.2282400             -0.0000550        
 23      0.5576660              0.0000190        
 24      0.1412190             -0.0000110        
 25      0.0677970              0.0000070        
S   25
  1 192708000.0000000          -0.0000220        
  2 30168800.0000000           -0.0000570        
  3 6339070.0000000            -0.0001560        
  4 1668940.0000000            -0.0003550        
  5 520455.0000000             -0.0007580        
  6 183800.0000000             -0.0015390        
  7  70986.5000000             -0.0030990        
  8  29211.0000000             -0.0062850        
  9  12572.0000000             -0.0130610        
 10   5590.3500000             -0.0276330        
 11   2549.9300000             -0.0582250        
 12   1189.0600000             -0.1149260        
 13    566.3840000             -0.1935060        
 14    275.7140000             -0.2260240        
 15    137.2420000             -0.0751900        
 16     69.8096000              0.3072190        
 17     36.1751000              0.5283130        
 18     18.9686000              0.2587270        
 19      9.9474900              0.0479550        
 20      5.1249000              0.0251360        
 21      2.5290800              0.0057370        
 22      1.2282400             -0.0001660        
 23      0.5576660             -0.0000400        
 24      0.1412190             -0.0000170        
 25      0.0677970              0.0000090        
S   25
  1 192708000.0000000           0.0000070        
  2 30168800.0000000            0.0000180        
  3 6339070.0000000             0.0000480        
  4 1668940.0000000             0.0001100        
  5 520455.0000000              0.0002340        
  6 183800.0000000              0.0004760        
  7  70986.5000000              0.0009620        
  8  29211.0000000              0.0019580        
  9  12572.0000000              0.0041060        
 10   5590.3500000              0.0087800        
 11   2549.9300000              0.0189830        
 12   1189.0600000              0.0389780        
 13    566.3840000              0.0712210        
 14    275.7140000              0.0925470        
 15    137.2420000              0.0306350        
 16     69.8096000             -0.2207380        
 17     36.1751000             -0.5059410        
 18     18.9686000             -0.2986110        
 19      9.9474900              0.4492940        
 20      5.1249000              0.7395890        
 21      2.5290800              0.1826020        
 22      1.2282400              0.0034490        
 23      0.5576660              0.0029330        
 24      0.1412190             -0.0002380        
 25      0.0677970              0.0002020        
S   25
  1 192708000.0000000          -0.0000030        
  2 30168800.0000000           -0.0000070        
  3 6339070.0000000            -0.0000190        
  4 1668940.0000000            -0.0000440        
  5 520455.0000000             -0.0000940        
  6 183800.0000000             -0.0001910        
  7  70986.5000000             -0.0003850        
  8  29211.0000000             -0.0007830        
  9  12572.0000000             -0.0016400        
 10   5590.3500000             -0.0035080        
 11   2549.9300000             -0.0075650        
 12   1189.0600000             -0.0155340        
 13    566.3840000             -0.0282560        
 14    275.7140000             -0.0369270        
 15    137.2420000             -0.0121770        
 16     69.8096000              0.0918450        
 17     36.1751000              0.2302230        
 18     18.9686000              0.1396390        
 19      9.9474900             -0.2641930        
 20      5.1249000             -0.7396320        
 21      2.5290800             -0.1040900        
 22      1.2282400              0.8185660        
 23      0.5576660              0.5210750        
 24      0.1412190              0.0347060        
 25      0.0677970             -0.0119300        
S   25
  1 192708000.0000000           0.0000010        
  2 30168800.0000000            0.0000020        
  3 6339070.0000000             0.0000050        
  4 1668940.0000000             0.0000120        
  5 520455.0000000              0.0000250        
  6 183800.0000000              0.0000500        
  7  70986.5000000              0.0001010        
  8  29211.0000000              0.0002070        
  9  12572.0000000              0.0004320        
 10   5590.3500000              0.0009250        
 11   2549.9300000              0.0019940        
 12   1189.0600000              0.0040990        
 13    566.3840000              0.0074550        
 14    275.7140000              0.0097680        
 15    137.2420000              0.0032110        
 16     69.8096000             -0.0244990        
 17     36.1751000             -0.0621450        
 18     18.9686000             -0.0380230        
 19      9.9474900              0.0742580        
 20      5.1249000              0.2271880        
 21      2.5290800              0.0232510        
 22      1.2282400             -0.3313700        
 23      0.5576660             -0.3331680        
 24      0.1412190              0.2761890        
 25      0.0677970              0.6217720        
S   25
  1 192708000.0000000           0.0000010        
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 23      0.5576660              0.5554240        
 24      0.1412190              2.0537870        
 25      0.0677970             -1.3630430        
S   25
  1 192708000.0000000           0.0000020        
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 23      0.5576660              3.7906500        
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S   1
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S   1
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S   1
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S   1
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P   20
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P   20
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  9    195.5710000             -0.0795170        
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 18      0.4819550             -0.0022270        
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P   20
  1 1452000.0000000             0.0000030        
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  3  54514.6000000              0.0000340        
  4  15468.7000000              0.0001210        
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P   20
  1 1452000.0000000            -0.0000010        
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P   20
  1 1452000.0000000            -0.0000010        
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  4  15468.7000000             -0.0000560        
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  9    195.5710000             -0.0146490        
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 18      0.4819550              0.0579430        
 19      0.1850400              0.7129020        
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P   20
  1 1452000.0000000            -0.0000020        
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  3  54514.6000000             -0.0000240        
  4  15468.7000000             -0.0000860        
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  7    874.0680000             -0.0033530        
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P   1
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P   1
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P   1
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P   1
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D   13
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  4    119.6690000              0.0319190        
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  9      3.7509000              0.1893340        
 10      1.8552600              0.0417930        
 11      0.8820590              0.0021340        
 12      0.4006220              0.0005090        
 13      0.1713310              0.0000170        
D   13
  1   2542.3500000             -0.0000450        
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  3    276.9520000             -0.0022530        
  4    119.6690000             -0.0093050        
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  6     27.8568000             -0.0638600        
  7     14.1591000             -0.0941660        
  8      7.2956800             -0.0878080        
  9      3.7509000              0.0272670        
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 11      0.8820590              0.3760150        
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 13      0.1713310              0.2077240        
D   13
  1   2542.3500000              0.0000440        
  2    743.0080000              0.0003680        
  3    276.9520000              0.0022170        
  4    119.6690000              0.0091350        
  5     56.3448000              0.0281380        
  6     27.8568000              0.0630960        
  7     14.1591000              0.0920460        
  8      7.2956800              0.0779820        
  9      3.7509000             -0.0415170        
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 11      0.8820590             -0.3908460        
 12      0.4006220              0.0893140        
 13      0.1713310              0.5664890        
D   13
  1   2542.3500000             -0.0000680        
  2    743.0080000             -0.0005600        
  3    276.9520000             -0.0034280        
  4    119.6690000             -0.0139950        
  5     56.3448000             -0.0439260        
  6     27.8568000             -0.0976020        
  7     14.1591000             -0.1382830        
  8      7.2956800             -0.0910010        
  9      3.7509000              0.1225150        
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 11      0.8820590              0.0300890        
 12      0.4006220             -0.9156450        
 13      0.1713310              0.0780680        
D   1
  1      0.0668650              1.0000000        
D   1
  1      2.1520000              1.0000000        
D   1
  1      1.0637000              1.0000000        
D   1
  1      0.0261000              1.0000000        
F   1
  1      2.4761000              1.0000000        
F   1
  1      1.0946000              1.0000000        
F   1
  1      0.4386000              1.0000000        
F   1
  1      0.1757000              1.0000000        
G   1
  1      2.3080000              1.0000000        
G   1
  1      1.0050000              1.0000000        
G   1
  1      0.4376000              1.0000000


name: aug-cc-pwCVTZ-DK
description: N/A
elt: Rh
data:
RHODIUM
S   25
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  2 33108100.0000000            0.0001100        
  3 6913440.0000000             0.0003010        
  4 1810980.0000000             0.0006840        
  5 562527.0000000              0.0014550        
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  8  31371.2000000              0.0117520        
  9  13490.6000000              0.0239790        
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 23      0.6001000              0.0000260        
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 25      0.0744570              0.0000070        
S   25
  1 213061000.0000000          -0.0000260        
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 23      0.6001000             -0.0000110        
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S   25
  1 213061000.0000000           0.0000070        
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  5 562527.0000000              0.0002400        
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 22      1.3188500              0.0040760        
 23      0.6001000              0.0030130        
 24      0.1559670             -0.0001950        
 25      0.0744570              0.0001740        
S   25
  1 213061000.0000000          -0.0000030        
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 23      0.6001000              0.5128390        
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 25      0.0744570             -0.0105950        
S   25
  1 213061000.0000000           0.0000010        
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  3 6913440.0000000             0.0000050        
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 23      0.6001000             -0.3218680        
 24      0.1559670              0.2411940        
 25      0.0744570              0.6189110        
S   25
  1 213061000.0000000           0.0000010        
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  5 562527.0000000              0.0000520        
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 23      0.6001000              0.5355740        
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S   25
  1 213061000.0000000           0.0000020        
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  4 1810980.0000000             0.0000340        
  5 562527.0000000              0.0000730        
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S   1
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S   1
  1      3.6466000              1.0000000        
S   1
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S   1
  1      0.0140000              1.0000000        
P   20
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  3  60148.6000000              0.0002050        
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  5   5748.1500000              0.0025060        
  6   2219.3800000              0.0084360        
  7    947.0230000              0.0263400        
  8    434.7980000              0.0731120        
  9    210.4080000              0.1687330        
 10    105.6630000              0.2988080        
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 17      1.0946600              0.0000190        
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 20      0.0842270              0.0000030        
P   20
  1 1586690.0000000            -0.0000070        
  2 267081.0000000             -0.0000240        
  3  60148.6000000             -0.0000870        
  4  17023.4000000             -0.0003070        
  5   5748.1500000             -0.0010740        
  6   2219.3800000             -0.0036410        
  7    947.0230000             -0.0115130        
  8    434.7980000             -0.0327470        
  9    210.4080000             -0.0786590        
 10    105.6630000             -0.1470790        
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P   20
  1 1586690.0000000             0.0000030        
  2 267081.0000000              0.0000090        
  3  60148.6000000              0.0000340        
  4  17023.4000000              0.0001210        
  5   5748.1500000              0.0004220        
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  7    947.0230000              0.0045390        
  8    434.7980000              0.0129400        
  9    210.4080000              0.0312870        
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P   20
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  6   2219.3800000             -0.0003750        
  7    947.0230000             -0.0011920        
  8    434.7980000             -0.0033900        
  9    210.4080000             -0.0082320        
 10    105.6630000             -0.0154520        
 11     54.4289000             -0.0191290        
 12     28.5070000             -0.0003080        
 13     15.0732000              0.0406730        
 14      7.9939600              0.0815780        
 15      4.2223900              0.0348050        
 16      2.2020000             -0.1120900        
 17      1.0946600             -0.2104010        
 18      0.5241370             -0.0819680        
 19      0.2041700              0.3056700        
 20      0.0842270              0.5729850        
P   20
  1 1586690.0000000            -0.0000010        
  2 267081.0000000             -0.0000040        
  3  60148.6000000             -0.0000170        
  4  17023.4000000             -0.0000580        
  5   5748.1500000             -0.0002060        
  6   2219.3800000             -0.0006920        
  7    947.0230000             -0.0022160        
  8    434.7980000             -0.0062500        
  9    210.4080000             -0.0153280        
 10    105.6630000             -0.0284180        
 11     54.4289000             -0.0360050        
 12     28.5070000              0.0007390        
 13     15.0732000              0.0737870        
 14      7.9939600              0.1567930        
 15      4.2223900              0.0600870        
 16      2.2020000             -0.2175560        
 17      1.0946600             -0.4730350        
 18      0.5241370              0.1035350        
 19      0.2041700              0.7017780        
 20      0.0842270              0.3464260        
P   20
  1 1586690.0000000            -0.0000020        
  2 267081.0000000             -0.0000070        
  3  60148.6000000             -0.0000250        
  4  17023.4000000             -0.0000880        
  5   5748.1500000             -0.0003100        
  6   2219.3800000             -0.0010360        
  7    947.0230000             -0.0033490        
  8    434.7980000             -0.0093580        
  9    210.4080000             -0.0232300        
 10    105.6630000             -0.0424770        
 11     54.4289000             -0.0555120        
 12     28.5070000              0.0040330        
 13     15.0732000              0.1140780        
 14      7.9939600              0.2471390        
 15      4.2223900              0.1068440        
 16      2.2020000             -0.5122660        
 17      1.0946600             -0.8892670        
 18      0.5241370              1.4465490        
 19      0.2041700              0.2479960        
 20      0.0842270             -0.9632110        
P   1
  1      0.0337970              1.0000000        
P   1
  1      3.8728000              1.0000000        
P   1
  1      1.0751000              1.0000000        
P   1
  1      0.0136000              1.0000000        
D   13
  1   2792.9700000              0.0001480        
  2    802.4110000              0.0012730        
  3    296.3820000              0.0077100        
  4    127.7060000              0.0316940        
  5     60.1914000              0.0960960        
  6     29.8287000              0.2138980        
  7     15.1894000              0.3292350        
  8      7.8338600              0.3391930        
  9      4.0347000              0.1871580        
 10      2.0068000              0.0403970        
 11      0.9589780              0.0022420        
 12      0.4378690              0.0005540        
 13      0.1884020              0.0000850        
D   13
  1   2792.9700000             -0.0000440        
  2    802.4110000             -0.0003830        
  3    296.3820000             -0.0023210        
  4    127.7060000             -0.0096160        
  5     60.1914000             -0.0294330        
  6     29.8287000             -0.0662430        
  7     15.1894000             -0.0985040        
  8      7.8338600             -0.0913240        
  9      4.0347000              0.0328620        
 10      2.0068000              0.2523970        
 11      0.9589780              0.3790570        
 12      0.4378690              0.3402040        
 13      0.1884020              0.1979080        
D   13
  1   2792.9700000              0.0000450        
  2    802.4110000              0.0003860        
  3    296.3820000              0.0023570        
  4    127.7060000              0.0097350        
  5     60.1914000              0.0300490        
  6     29.8287000              0.0675750        
  7     15.1894000              0.0991900        
  8      7.8338600              0.0820690        
  9      4.0347000             -0.0522600        
 10      2.0068000             -0.3346050        
 11      0.9589780             -0.3769710        
 12      0.4378690              0.1428500        
 13      0.1884020              0.5594820        
D   13
  1   2792.9700000             -0.0000660        
  2    802.4110000             -0.0005640        
  3    296.3820000             -0.0034690        
  4    127.7060000             -0.0142960        
  5     60.1914000             -0.0446570        
  6     29.8287000             -0.1006180        
  7     15.1894000             -0.1407410        
  8      7.8338600             -0.0900030        
  9      4.0347000              0.1367850        
 10      2.0068000              0.6761930        
 11      0.9589780             -0.0619930        
 12      0.4378690             -0.9061800        
 13      0.1884020              0.1541380        
D   1
  1      0.0739060              1.0000000        
D   1
  1      2.3801000              1.0000000        
D   1
  1      1.1832000              1.0000000        
D   1
  1      0.0290000              1.0000000        
F   1
  1      2.7443000              1.0000000        
F   1
  1      1.2406000              1.0000000        
F   1
  1      0.5080000              1.0000000        
F   1
  1      0.2080000              1.0000000        
G   1
  1      2.5565000              1.0000000        
G   1
  1      1.1557000              1.0000000        
G   1
  1      0.5224000              1.0000000


name: aug-cc-pwCVTZ-DK
description: N/A
elt: Pd
data:
PALLADIUM
S   25
  1 231969000.0000000           0.0000380        
  2 35874000.0000000            0.0001010        
  3 7478510.0000000             0.0002770        
  4 1959210.0000000             0.0006270        
  5 609102.0000000              0.0013270        
  6 214666.0000000              0.0026660        
  7  82772.4000000              0.0052950        
  8  34005.0000000              0.0105500        
  9  14607.5000000              0.0213990        
 10   6480.7700000              0.0438700        
 11   2948.3800000              0.0881890        
 12   1370.9700000              0.1612280        
 13    651.1640000              0.2336970        
 14    316.1400000              0.2112000        
 15    157.0170000              0.0981310        
 16     79.7486000              0.1177200        
 17     41.3024000              0.1899080        
 18     21.6692000              0.0967030        
 19     11.3839000              0.0244730        
 20      5.8823900              0.0181770        
 21      2.9146900              0.0045120        
 22      1.4182000             -0.0000340        
 23      0.6431560              0.0000380        
 24      0.1621260             -0.0000120        
 25      0.0757470              0.0000080        
S   25
  1 231969000.0000000          -0.0000310        
  2 35874000.0000000           -0.0000840        
  3 7478510.0000000            -0.0002290        
  4 1959210.0000000            -0.0005200        
  5 609102.0000000             -0.0011030        
  6 214666.0000000             -0.0022200        
  7  82772.4000000             -0.0044240        
  8  34005.0000000             -0.0088620        
  9  14607.5000000             -0.0181430        
 10   6480.7700000             -0.0377710        
 11   2948.3800000             -0.0782330        
 12   1370.9700000             -0.1515500        
 13    651.1640000             -0.2484170        
 14    316.1400000             -0.2821950        
 15    157.0170000             -0.1138920        
 16     79.7486000              0.2668050        
 17     41.3024000              0.4972710        
 18     21.6692000              0.2581180        
 19     11.3839000              0.0500270        
 20      5.8823900              0.0264220        
 21      2.9146900              0.0060790        
 22      1.4182000             -0.0000090        
 23      0.6431560              0.0000170        
 24      0.1621260             -0.0000070        
 25      0.0757470              0.0000040        
S   25
  1 231969000.0000000           0.0000070        
  2 35874000.0000000            0.0000190        
  3 7478510.0000000             0.0000510        
  4 1959210.0000000             0.0001150        
  5 609102.0000000              0.0002450        
  6 214666.0000000              0.0004940        
  7  82772.4000000              0.0009900        
  8  34005.0000000              0.0019940        
  9  14607.5000000              0.0041330        
 10   6480.7700000              0.0087440        
 11   2948.3800000              0.0187720        
 12   1370.9700000              0.0385280        
 13    651.1640000              0.0709410        
 14    316.1400000              0.0945880        
 15    157.0170000              0.0379940        
 16     79.7486000             -0.2101840        
 17     41.3024000             -0.5097240        
 18     21.6692000             -0.3292160        
 19     11.3839000              0.4337730        
 20      5.8823900              0.7551420        
 21      2.9146900              0.1893900        
 22      1.4182000              0.0046220        
 23      0.6431560              0.0031330        
 24      0.1621260             -0.0001840        
 25      0.0757470              0.0001700        
S   25
  1 231969000.0000000          -0.0000030        
  2 35874000.0000000           -0.0000080        
  3 7478510.0000000            -0.0000210        
  4 1959210.0000000            -0.0000470        
  5 609102.0000000             -0.0001000        
  6 214666.0000000             -0.0002010        
  7  82772.4000000             -0.0004030        
  8  34005.0000000             -0.0008110        
  9  14607.5000000             -0.0016800        
 10   6480.7700000             -0.0035550        
 11   2948.3800000             -0.0076130        
 12   1370.9700000             -0.0156200        
 13    651.1640000             -0.0286400        
 14    316.1400000             -0.0383650        
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 16     79.7486000              0.0890860        
 17     41.3024000              0.2364510        
 18     21.6692000              0.1594410        
 19     11.3839000             -0.2656280        
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 21      2.9146900             -0.0921080        
 22      1.4182000              0.8341870        
 23      0.6431560              0.5096530        
 24      0.1621260              0.0323300        
 25      0.0757470             -0.0101750        
S   25
  1 231969000.0000000           0.0000010        
  2 35874000.0000000            0.0000020        
  3 7478510.0000000             0.0000050        
  4 1959210.0000000             0.0000120        
  5 609102.0000000              0.0000250        
  6 214666.0000000              0.0000510        
  7  82772.4000000              0.0001020        
  8  34005.0000000              0.0002060        
  9  14607.5000000              0.0004260        
 10   6480.7700000              0.0009030        
 11   2948.3800000              0.0019330        
 12   1370.9700000              0.0039720        
 13    651.1640000              0.0072770        
 14    316.1400000              0.0097830        
 15    157.0170000              0.0039080        
 16     79.7486000             -0.0228670        
 17     41.3024000             -0.0615870        
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 19     11.3839000              0.0719530        
 20      5.8823900              0.2314620        
 21      2.9146900              0.0153060        
 22      1.4182000             -0.3249280        
 23      0.6431560             -0.3116880        
 24      0.1621260              0.2542590        
 25      0.0757470              0.6130390        
S   25
  1 231969000.0000000           0.0000010        
  2 35874000.0000000            0.0000040        
  3 7478510.0000000             0.0000110        
  4 1959210.0000000             0.0000240        
  5 609102.0000000              0.0000510        
  6 214666.0000000              0.0001030        
  7  82772.4000000              0.0002090        
  8  34005.0000000              0.0004110        
  9  14607.5000000              0.0008800        
 10   6480.7700000              0.0017780        
 11   2948.3800000              0.0040400        
 12   1370.9700000              0.0076940        
 13    651.1640000              0.0156030        
 14    316.1400000              0.0176250        
 15    157.0170000              0.0133050        
 16     79.7486000             -0.0591740        
 17     41.3024000             -0.0994380        
 18     21.6692000             -0.1403710        
 19     11.3839000              0.2582880        
 20      5.8823900              0.3199000        
 21      2.9146900              0.3668280        
 22      1.4182000             -1.6365500        
 23      0.6431560              0.5083560        
 24      0.1621260              1.7709410        
 25      0.0757470             -0.8830610        
S   25
  1 231969000.0000000           0.0000020        
  2 35874000.0000000            0.0000060        
  3 7478510.0000000             0.0000160        
  4 1959210.0000000             0.0000350        
  5 609102.0000000              0.0000750        
  6 214666.0000000              0.0001510        
  7  82772.4000000              0.0003030        
  8  34005.0000000              0.0006090        
  9  14607.5000000              0.0012660        
 10   6480.7700000              0.0026640        
 11   2948.3800000              0.0057520        
 12   1370.9700000              0.0117020        
 13    651.1640000              0.0217740        
 14    316.1400000              0.0286790        
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 16     79.7486000             -0.0711980        
 17     41.3024000             -0.1893120        
 18     21.6692000             -0.1263150        
 19     11.3839000              0.2556980        
 20      5.8823900              0.8089060        
 21      2.9146900              0.1081360        
 22      1.4182000             -3.2497450        
 23      0.6431560              3.3999180        
 24      0.1621260             -0.8439920        
 25      0.0757470             -1.3578290        
S   1
  1      0.0328330              1.0000000        
S   1
  1      3.9787000              1.0000000        
S   1
  1      1.0676000              1.0000000        
S   1
  1      0.0142000              1.0000000        
P   20
  1 1789180.0000000             0.0000160        
  2 299329.0000000              0.0000550        
  3  66902.0000000              0.0002010        
  4  18783.6000000              0.0007020        
  5   6293.7500000              0.0024310        
  6   2413.2000000              0.0081640        
  7   1023.6400000              0.0255500        
  8    467.7130000              0.0713070        
  9    225.4890000              0.1658860        
 10    112.9220000              0.2965360        
 11     58.0528000              0.3536860        
 12     30.3656000              0.2181360        
 13     16.0450000              0.0479290        
 14      8.5088900             -0.0047840        
 15      4.4978300             -0.0047910        
 16      2.3502500             -0.0006970        
 17      1.1661100              0.0000100        
 18      0.5548970              0.0000700        
 19      0.2085100             -0.0000020        
 20      0.0843150              0.0000030        
P   20
  1 1789180.0000000            -0.0000070        
  2 299329.0000000             -0.0000240        
  3  66902.0000000             -0.0000870        
  4  18783.6000000             -0.0003030        
  5   6293.7500000             -0.0010540        
  6   2413.2000000             -0.0035630        
  7   1023.6400000             -0.0112890        
  8    467.7130000             -0.0322750        
  9    225.4890000             -0.0781140        
 10    112.9220000             -0.1474240        
 11     58.0528000             -0.1817680        
 12     30.3656000             -0.0333360        
 13     16.0450000              0.2940170        
 14      8.5088900              0.5046260        
 15      4.4978300              0.2878520        
 16      2.3502500              0.0416890        
 17      1.1661100              0.0001300        
 18      0.5548970             -0.0019180        
 19      0.2085100              0.0000030        
 20      0.0843150             -0.0000710        
P   20
  1 1789180.0000000             0.0000030        
  2 299329.0000000              0.0000090        
  3  66902.0000000              0.0000340        
  4  18783.6000000              0.0001200        
  5   6293.7500000              0.0004190        
  6   2413.2000000              0.0014180        
  7   1023.6400000              0.0045040        
  8    467.7130000              0.0129120        
  9    225.4890000              0.0314570        
 10    112.9220000              0.0598250        
 11     58.0528000              0.0743730        
 12     30.3656000              0.0052590        
 13     16.0450000             -0.1540920        
 14      8.5088900             -0.3005170        
 15      4.4978300             -0.1366150        
 16      2.3502500              0.3543360        
 17      1.1661100              0.5418340        
 18      0.5548970              0.2883550        
 19      0.2085100              0.0365610        
 20      0.0843150             -0.0031140        
P   20
  1 1789180.0000000            -0.0000010        
  2 299329.0000000             -0.0000020        
  3  66902.0000000             -0.0000080        
  4  18783.6000000             -0.0000290        
  5   6293.7500000             -0.0001010        
  6   2413.2000000             -0.0003430        
  7   1023.6400000             -0.0010910        
  8    467.7130000             -0.0031190        
  9    225.4890000             -0.0076350        
 10    112.9220000             -0.0144670        
 11     58.0528000             -0.0181630        
 12     30.3656000             -0.0007540        
 13     16.0450000              0.0381890        
 14      8.5088900              0.0778260        
 15      4.4978300              0.0306690        
 16      2.3502500             -0.1073350        
 17      1.1661100             -0.1913910        
 18      0.5548970             -0.0731510        
 19      0.2085100              0.2904240        
 20      0.0843150              0.5689310        
P   20
  1 1789180.0000000            -0.0000010        
  2 299329.0000000             -0.0000050        
  3  66902.0000000             -0.0000170        
  4  18783.6000000             -0.0000610        
  5   6293.7500000             -0.0002120        
  6   2413.2000000             -0.0007110        
  7   1023.6400000             -0.0022860        
  8    467.7130000             -0.0064660        
  9    225.4890000             -0.0160240        
 10    112.9220000             -0.0298970        
 11     58.0528000             -0.0386350        
 12     30.3656000              0.0001520        
 13     16.0450000              0.0777120        
 14      8.5088900              0.1689660        
 15      4.4978300              0.0607940        
 16      2.3502500             -0.2409540        
 17      1.1661100             -0.5057780        
 18      0.5548970              0.1936520        
 19      0.2085100              0.7150110        
 20      0.0843150              0.2874470        
P   20
  1 1789180.0000000            -0.0000020        
  2 299329.0000000             -0.0000070        
  3  66902.0000000             -0.0000250        
  4  18783.6000000             -0.0000880        
  5   6293.7500000             -0.0003100        
  6   2413.2000000             -0.0010370        
  7   1023.6400000             -0.0033390        
  8    467.7130000             -0.0094370        
  9    225.4890000             -0.0234360        
 10    112.9220000             -0.0436950        
 11     58.0528000             -0.0570030        
 12     30.3656000              0.0013980        
 13     16.0450000              0.1211760        
 14      8.5088900              0.2485120        
 15      4.4978300              0.1276570        
 16      2.3502500             -0.5961590        
 17      1.1661100             -0.8149230        
 18      0.5548970              1.5239800        
 19      0.2085100              0.0450920        
 20      0.0843150             -0.8914620        
P   1
  1      0.0331870              1.0000000        
P   1
  1      4.2754000              1.0000000        
P   1
  1      1.1644000              1.0000000        
P   1
  1      0.0131000              1.0000000        
D   13
  1   2997.7400000              0.0001490        
  2    844.3660000              0.0013050        
  3    311.0270000              0.0078450        
  4    134.3580000              0.0320110        
  5     63.4728000              0.0970150        
  6     31.4809000              0.2161310        
  7     16.0390000              0.3321270        
  8      8.2870200              0.3383070        
  9      4.2820600              0.1815710        
 10      2.1441800              0.0380030        
 11      1.0309300              0.0022880        
 12      0.4734790              0.0005860        
 13      0.2050020              0.0001450        
D   13
  1   2997.7400000             -0.0000460        
  2    844.3660000             -0.0004060        
  3    311.0270000             -0.0024450        
  4    134.3580000             -0.0100510        
  5     63.4728000             -0.0307790        
  6     31.4809000             -0.0692950        
  7     16.0390000             -0.1029380        
  8      8.2870200             -0.0931070        
  9      4.2820600              0.0412880        
 10      2.1441800              0.2637390        
 11      1.0309300              0.3806010        
 12      0.4734790              0.3321510        
 13      0.2050020              0.1880590        
D   13
  1   2997.7400000              0.0000480        
  2    844.3660000              0.0004230        
  3    311.0270000              0.0025630        
  4    134.3580000              0.0105060        
  5     63.4728000              0.0324630        
  6     31.4809000              0.0730710        
  7     16.0390000              0.1066220        
  8      8.2870200              0.0845210        
  9      4.2820600             -0.0679160        
 10      2.1441800             -0.3669810        
 11      1.0309300             -0.3563970        
 12      0.4734790              0.1955400        
 13      0.2050020              0.5516610        
D   13
  1   2997.7400000             -0.0000680        
  2    844.3660000             -0.0005980        
  3    311.0270000             -0.0036080        
  4    134.3580000             -0.0149140        
  5     63.4728000             -0.0461640        
  6     31.4809000             -0.1056720        
  7     16.0390000             -0.1426130        
  8      8.2870200             -0.0885790        
  9      4.2820600              0.1635420        
 10      2.1441800              0.6958060        
 11      1.0309300             -0.1681640        
 12      0.4734790             -0.8831910        
 13      0.2050020              0.2342950        
D   1
  1      0.0809930              1.0000000        
D   1
  1      2.6155000              1.0000000        
D   1
  1      1.3080000              1.0000000        
D   1
  1      0.0320000              1.0000000        
F   1
  1      3.0198000              1.0000000        
F   1
  1      1.3920000              1.0000000        
F   1
  1      0.5809000              1.0000000        
F   1
  1      0.2424000              1.0000000        
G   1
  1      2.8084000              1.0000000        
G   1
  1      1.3187000              1.0000000        
G   1
  1      0.6192000              1.0000000


name: aug-cc-pwCVTZ-NR
description: VTZ2P All-electron non-relativistic Core-Valence Triple Zeta + Polarization
elt: Sc
data:
SCANDIUM
S   19
  1 2715278.0000000             8.147221E-06     
  2 406598.4000000              6.334788E-05     
  3  92530.0400000              0.0003330384     
  4  26207.9200000              0.001404055      
  5   8549.4290000              0.005081725      
  6   3085.9750000              0.01626926       
  7   1203.1720000              0.04624577       
  8    498.4869000              0.1137223        
  9    216.7360000              0.2257636        
 10     97.8747600              0.3106700        
 11     45.2043300              0.2191906        
 12     20.2118700              0.07215879       
 13      9.5747510              0.1187030        
 14      4.5403460              0.1220532        
 15      1.9956870              0.02136795       
 16      0.9422150             -0.0005357246     
 17      0.4178450              0.0002435774     
 18      0.0957610             -8.796617E-05     
 19      0.0513510              7.878246E-05     
S   19
  1 2715278.0000000            -4.722109E-06     
  2 406598.4000000             -3.671829E-05     
  3  92530.0400000             -0.0001930883     
  4  26207.9200000             -0.000814687      
  5   8549.4290000             -0.002955526      
  6   3085.9750000             -0.009520035      
  7   1203.1720000             -0.02746858       
  8    498.4869000             -0.06991528       
  9    216.7360000             -0.1499251        
 10     97.8747600             -0.2459153        
 11     45.2043300             -0.2401293        
 12     20.2118700              0.03567987       
 13      9.5747510              0.4915023        
 14      4.5403460              0.4911381        
 15      1.9956870              0.09120633       
 16      0.9422150             -0.005356723      
 17      0.4178450              0.0008812836     
 18      0.0957610             -0.0007605536     
 19      0.0513510              0.0006340116     
S   19
  1 2715278.0000000             9.139905E-07     
  2 406598.4000000              7.108513E-06     
  3  92530.0400000              3.738126E-05     
  4  26207.9200000              0.0001578828     
  5   8549.4290000              0.0005737686     
  6   3085.9750000              0.001859244      
  7   1203.1720000              0.005433182      
  8    498.4869000              0.01425387       
  9    216.7360000              0.03246144       
 10     97.8747600              0.06003454       
 11     45.2043300              0.06916105       
 12     20.2118700             -0.02113084       
 13      9.5747510             -0.2666832        
 14      4.5403460             -0.4367591        
 15      1.9956870              0.06498243       
 16      0.9422150              0.7009599        
 17      0.4178450              0.4515562        
 18      0.0957610              0.0301191        
 19      0.0513510             -0.0132948        
S   19
  1 2715278.0000000            -2.201951E-07     
  2 406598.4000000             -1.711419E-06     
  3  92530.0400000             -9.008469E-06     
  4  26207.9200000             -3.799997E-05     
  5   8549.4290000             -0.0001383227     
  6   3085.9750000             -0.0004473692     
  7   1203.1720000             -0.001310691      
  8    498.4869000             -0.00342986       
  9    216.7360000             -0.007847579      
 10     97.8747600             -0.01447189       
 11     45.2043300             -0.01690669       
 12     20.2118700              0.005396115      
 13      9.5747510              0.06671062       
 14      4.5403460              0.1178356        
 15      1.9956870             -0.02738134       
 16      0.9422150             -0.2260149        
 17      0.4178450             -0.3073539        
 18      0.0957610              0.2544054        
 19      0.0513510              0.5981590        
S   19
  1 2715278.0000000            -3.757238E-07     
  2 406598.4000000             -2.981907E-06     
  3  92530.0400000             -1.522586E-05     
  4  26207.9200000             -6.684686E-05     
  5   8549.4290000             -0.0002313129     
  6   3085.9750000             -0.0007959729     
  7   1203.1720000             -0.0021619610     
  8    498.4869000             -0.006206459      
  9    216.7360000             -0.01261905       
 10     97.8747600             -0.02739459       
 11     45.2043300             -0.02336516       
 12     20.2118700             -0.005734627      
 13      9.5747510              0.1536025        
 14      4.5403460              0.1447100        
 15      1.9956870              0.09359699       
 16      0.9422150             -0.8687730        
 17      0.4178450              0.02114597       
 18      0.0957610              2.2754980        
 19      0.0513510             -1.1907700        
S   19
  1 2715278.0000000            -5.962768E-07     
  2 406598.4000000             -4.822853E-06     
  3  92530.0400000             -2.395005E-05     
  4  26207.9200000             -0.0001090335     
  5   8549.4290000             -0.0003601944     
  6   3085.9750000             -0.001311233      
  7   1203.1720000             -0.003322435      
  8    498.4869000             -0.0103752        
  9    216.7360000             -0.01892174       
 10     97.8747600             -0.04755287       
 11     45.2043300             -0.02931692       
 12     20.2118700             -0.03090088       
 13      9.5747510              0.3074597        
 14      4.5403460              0.1803100        
 15      1.9956870              0.2358178        
 16      0.9422150             -2.3885440        
 17      0.4178450              2.3294070        
 18      0.0957610              0.9918252        
 19      0.0513510             -3.5072400        
S   1
  1      0.0238780              1.0000000        
S   1
  1      2.6295000              1.0000000        
S   1
  1      0.6174000              1.0000000        
S   1
  1      1.110000E-02           1.0000000        
P   15
  1  10592.1900000              0.0000450        
  2   2507.5330000              0.0004010        
  3    814.4571000              0.0023020        
  4    311.5195000              0.0100370        
  5    131.9617000              0.0349540        
  6     59.9871800              0.0979090        
  7     28.6625000              0.2106800        
  8     14.1085100              0.3300930        
  9      7.1037060              0.3310270        
 10      3.6092000              0.1579600        
 11      1.7760700              0.0220990        
 12      0.8547600             -0.0016050        
 13      0.4022390             -0.0013260        
 14      0.1546650             -0.0002800        
 15      0.0649450              0.0000340        
P   15
  1  10592.1900000             -0.0000150        
  2   2507.5330000             -0.0001310        
  3    814.4571000             -0.0007570        
  4    311.5195000             -0.0033180        
  5    131.9617000             -0.0117060        
  6     59.9871800             -0.0336040        
  7     28.6625000             -0.0748790        
  8     14.1085100             -0.1225480        
  9      7.1037060             -0.1302760        
 10      3.6092000              0.0145960        
 11      1.7760700              0.3091840        
 12      0.8547600              0.4629980        
 13      0.4022390              0.3049570        
 14      0.1546650              0.0508780        
 15      0.0649450             -0.0044930        
P   15
  1  10592.1900000             -0.0000040        
  2   2507.5330000             -0.0000320        
  3    814.4571000             -0.0001850        
  4    311.5195000             -0.0008080        
  5    131.9617000             -0.0028700        
  6     59.9871800             -0.0082070        
  7     28.6625000             -0.0184730        
  8     14.1085100             -0.0301010        
  9      7.1037060             -0.0329430        
 10      3.6092000              0.0079580        
 11      1.7760700              0.0879930        
 12      0.8547600              0.1523770        
 13      0.4022390              0.0971700        
 14      0.1546650             -0.2569380        
 15      0.0649450             -0.5878150        
P   15
  1  10592.1900000              0.0000040        
  2   2507.5330000              0.0000390        
  3    814.4571000              0.0002210        
  4    311.5195000              0.0009840        
  5    131.9617000              0.0034230        
  6     59.9871800              0.0099930        
  7     28.6625000              0.0219160        
  8     14.1085100              0.0370080        
  9      7.1037060              0.0377940        
 10      3.6092000             -0.0043790        
 11      1.7760700             -0.1101640        
 12      0.8547600             -0.1610170        
 13      0.4022390             -0.1824820        
 14      0.1546650              0.3886110        
 15      0.0649450              0.6911000        
P   15
  1  10592.1900000              0.0000090        
  2   2507.5330000              0.0000740        
  3    814.4571000              0.0004790        
  4    311.5195000              0.0018690        
  5    131.9617000              0.0074240        
  6     59.9871800              0.0187630        
  7     28.6625000              0.0487170        
  8     14.1085100              0.0654400        
  9      7.1037060              0.1079480        
 10      3.6092000             -0.0587130        
 11      1.7760700             -0.1703060        
 12      0.8547600             -0.7549770        
 13      0.4022390              0.6201170        
 14      0.1546650              1.1675480        
 15      0.0649450             -1.0095310        
P   1
  1      0.0263590              1.0000000        
P   1
  1      3.4350000              1.0000000        
P   1
  1      0.8071000              1.0000000        
P   1
  1      1.066000E-02           1.0000000        
D   7
  1     50.5138000              0.0042660        
  2     14.7405000              0.0277080        
  3      5.1950000              0.1000010        
  4      2.0284600              0.2315810        
  5      0.8040860              0.3460330        
  6      0.3076890              0.3733740        
  7      0.1113920              0.2642880        
D   7
  1     50.5138000             -0.0043890        
  2     14.7405000             -0.0283630        
  3      5.1950000             -0.1051370        
  4      2.0284600             -0.2348540        
  5      0.8040860             -0.3246090        
  6      0.3076890             -0.0642890        
  7      0.1113920              0.6017490        
D   7
  1     50.5138000              0.0058590        
  2     14.7405000              0.0373230        
  3      5.1950000              0.1419240        
  4      2.0284600              0.3068960        
  5      0.8040860              0.3081890        
  6      0.3076890             -0.7607170        
  7      0.1113920             -0.2047750        
D   1
  1      0.0373520              1.0000000        
D   1
  1      1.8543000              1.0000000        
D   1
  1      0.7921000              1.0000000        
D   1
  1      1.244000E-02           1.0000000        
F   1
  1      2.1138000              1.0000000        
F   1
  1      0.6649000              1.0000000        
F   1
  1      0.1665000              1.0000000        
F   1
  1      4.063000E-02           1.0000000        
G   1
  1      1.7981000              1.0000000        
G   1
  1      0.4187000              1.0000000        
G   1
  1      9.473000E-02           1.0000000


name: aug-cc-pwCVTZ-NR
description: VTZ2P All-electron non-relativistic Core-Valence Triple Zeta + Polarization
elt: Ti
data:
TITANIUM
S   19
  1 3014643.0000000             8.060782E-06     
  2 451432.9000000              6.267518E-05     
  3 102733.8000000              0.0003295006     
  4  29098.1700000              0.001389203      
  5   9492.3300000              0.005028469      
  6   3426.3460000              0.01610419       
  7   1335.8960000              0.04581232       
  8    553.5026000              0.1128613        
  9    240.6925000              0.2248193        
 10    108.7293000              0.3114571        
 11     50.2645700              0.2224995        
 12     22.5800400              0.07293128       
 13     10.7143200              0.1160683        
 14      5.0935460              0.1194774        
 15      2.2441830              0.02097868       
 16      1.0595700             -0.0005091715     
 17      0.4688490              0.0002217859     
 18      0.1061430             -7.636896E-05     
 19      0.0552620              7.719539E-05     
S   19
  1 3014643.0000000            -4.630486E-06     
  2 451432.9000000             -3.600451E-05     
  3 102733.8000000             -0.000189342      
  4  29098.1700000             -0.0007988781     
  5   9492.3300000             -0.002898698      
  6   3426.3460000             -0.009339701      
  7   1335.8960000             -0.02697464       
  8    553.5026000             -0.06878913       
  9    240.6925000             -0.1481037        
 10    108.7293000             -0.2445253        
 11     50.2645700             -0.2419916        
 12     22.5800400              0.0318379        
 13     10.7143200              0.4932686        
 14      5.0935460              0.4939655        
 15      2.2441830              0.09196313       
 16      1.0595700             -0.005316992      
 17      0.4688490              0.0008085624     
 18      0.1061430             -0.0006918459     
 19      0.0552620              0.0006086512     
S   19
  1 3014643.0000000             9.230559E-07     
  2 451432.9000000              7.178974E-06     
  3 102733.8000000              3.775134E-05     
  4  29098.1700000              0.0001594532     
  5   9492.3300000              0.000579515      
  6   3426.3460000              0.001878414      
  7   1335.8960000              0.005492747      
  8    553.5026000              0.01443297       
  9    240.6925000              0.03296408       
 10    108.7293000              0.06125493       
 11     50.2645700              0.07134113       
 12     22.5800400             -0.0197315        
 13     10.7143200             -0.2741869        
 14      5.0935460             -0.4440977        
 15      2.2441830              0.07776084       
 16      1.0595700              0.7068444        
 17      0.4688490              0.4413892        
 18      0.1061430              0.02799769       
 19      0.0552620             -0.0121079        
S   19
  1 3014643.0000000            -2.180323E-07     
  2 451432.9000000             -1.69486E-06      
  3 102733.8000000             -8.919208E-06     
  4  29098.1700000             -3.763633E-05     
  5   9492.3300000             -0.0001369575     
  6   3426.3460000             -0.0004432894     
  7   1335.8960000             -0.001298868      
  8    553.5026000             -0.003406752      
  9    240.6925000             -0.007810829      
 10    108.7293000             -0.01449245       
 11     50.2645700             -0.01708136       
 12     22.5800400              0.004897666      
 13     10.7143200              0.06753108       
 14      5.0935460              0.1173318        
 15      2.2441830             -0.02985025       
 16      1.0595700             -0.2277634        
 17      0.4688490             -0.2928115        
 18      0.1061430              0.2665300        
 19      0.0552620              0.5912406        
S   19
  1 3014643.0000000            -3.975126E-07     
  2 451432.9000000             -3.16108E-06      
  3 102733.8000000             -1.609375E-05     
  4  29098.1700000             -7.092947E-05     
  5   9492.3300000             -0.000244271      
  6   3426.3460000             -0.0008457892     
  7   1335.8960000             -0.002282208      
  8    553.5026000             -0.006619873      
  9    240.6925000             -0.01335024       
 10    108.7293000             -0.0295583        
 11     50.2645700             -0.02477039       
 12     22.5800400             -0.008414624      
 13     10.7143200              0.1693855        
 14      5.0935460              0.1500787        
 15      2.2441830              0.09787777       
 16      1.0595700             -0.9653608        
 17      0.4688490              0.1489721        
 18      0.1061430              2.1911790        
 19      0.0552620             -1.2433250        
S   19
  1 3014643.0000000            -6.302483E-07     
  2 451432.9000000             -5.084585E-06     
  3 102733.8000000             -2.534482E-05     
  4  29098.1700000             -0.000114826      
  5   9492.3300000             -0.0003817497     
  6   3426.3460000             -0.001379645      
  7   1335.8960000             -0.003531666      
  8    553.5026000             -0.01092225       
  9    240.6925000             -0.02029554       
 10    108.7293000             -0.05024404       
 11     50.2645700             -0.03316309       
 12     22.5800400             -0.03098063       
 13     10.7143200              0.3244673        
 14      5.0935460              0.2155689        
 15      2.2441830              0.1499616        
 16      1.0595700             -2.4207410        
 17      0.4688490              2.5308740        
 18      0.1061430              0.3423600        
 19      0.0552620             -2.7337220        
S   1
  1      0.0254650              1.0000000        
S   1
  1      2.9409000              1.0000000        
S   1
  1      0.7072000              1.0000000        
S   1
  1      0.0117300              1.0000000        
P   15
  1  11912.0300000              0.0000440        
  2   2819.9470000              0.0003910        
  3    915.9479000              0.0022480        
  4    350.3842000              0.0098230        
  5    148.4825000              0.0343380        
  6     67.5394400              0.0966660        
  7     32.3033200              0.2094170        
  8     15.9278600              0.3301890        
  9      8.0380350              0.3319360        
 10      4.0939160              0.1584880        
 11      2.0223900              0.0223100        
 12      0.9761020             -0.0015660        
 13      0.4595950             -0.0013240        
 14      0.1771520             -0.0002710        
 15      0.0735170              0.0000320        
P   15
  1  11912.0300000             -0.0000150        
  2   2819.9470000             -0.0001310        
  3    915.9479000             -0.0007550        
  4    350.3842000             -0.0033190        
  5    148.4825000             -0.0117500        
  6     67.5394400             -0.0339220        
  7     32.3033200             -0.0761640        
  8     15.9278600             -0.1257020        
  9      8.0380350             -0.1330980        
 10      4.0939160              0.0174060        
 11      2.0223900              0.3151650        
 12      0.9761020              0.4618140        
 13      0.4595950              0.2998560        
 14      0.1771520              0.0500000        
 15      0.0735170             -0.0042300        
P   15
  1  11912.0300000              0.0000040        
  2   2819.9470000              0.0000310        
  3    915.9479000              0.0001820        
  4    350.3842000              0.0007950        
  5    148.4825000              0.0028330        
  6     67.5394400              0.0081540        
  7     32.3033200              0.0184720        
  8     15.9278600              0.0304000        
  9      8.0380350              0.0330470        
 10      4.0939160             -0.0082510        
 11      2.0223900             -0.0885540        
 12      0.9761020             -0.1496120        
 13      0.4595950             -0.0942270        
 14      0.1771520              0.2508460        
 15      0.0735170              0.5866430        
P   15
  1  11912.0300000              0.0000040        
  2   2819.9470000              0.0000390        
  3    915.9479000              0.0002230        
  4    350.3842000              0.0009920        
  5    148.4825000              0.0034760        
  6     67.5394400              0.0101720        
  7     32.3033200              0.0225760        
  8     15.9278600              0.0382380        
  9      8.0380350              0.0393370        
 10      4.0939160             -0.0061060        
 11      2.0223900             -0.1129620        
 12      0.9761020             -0.1681140        
 13      0.4595950             -0.1659320        
 14      0.1771520              0.3914030        
 15      0.0735170              0.6818400        
P   15
  1  11912.0300000              0.0000090        
  2   2819.9470000              0.0000730        
  3    915.9479000              0.0004680        
  4    350.3842000              0.0018560        
  5    148.4825000              0.0072930        
  6     67.5394400              0.0188560        
  7     32.3033200              0.0484050        
  8     15.9278600              0.0673780        
  9      8.0380350              0.1045410        
 10      4.0939160             -0.0537600        
 11      2.0223900             -0.1917490        
 12      0.9761020             -0.6947200        
 13      0.4595950              0.5601620        
 14      0.1771520              1.1813360        
 15      0.0735170             -0.9932720        
P   1
  1      0.0294010              1.0000000        
P   1
  1      4.0136000              1.0000000        
P   1
  1      0.9399000              1.0000000        
P   1
  1      0.0117600              1.0000000        
D   7
  1     64.0130000              0.0038870        
  2     18.8179000              0.0263990        
  3      6.7287000              0.0975110        
  4      2.6641300              0.2328480        
  5      1.0786800              0.3531520        
  6      0.4232090              0.3721860        
  7      0.1559990              0.2476720        
D   7
  1     64.0130000             -0.0039700        
  2     18.8179000             -0.0268730        
  3      6.7287000             -0.1022750        
  4      2.6641300             -0.2377280        
  5      1.0786800             -0.3121140        
  6      0.4232090             -0.0423780        
  7      0.1559990              0.5886580        
D   7
  1     64.0130000              0.0064180        
  2     18.8179000              0.0438090        
  3      6.7287000              0.1723250        
  4      2.6641300              0.3753320        
  5      1.0786800              0.2249470        
  6      0.4232090             -0.7919070        
  7      0.1559990             -0.1044280        
D   1
  1      0.0518840              1.0000000        
D   1
  1      2.3844000              1.0000000        
D   1
  1      1.0825000              1.0000000        
D   1
  1      0.0172600              1.0000000        
F   1
  1      2.8524000              1.0000000        
F   1
  1      0.9730000              1.0000000        
F   1
  1      0.2836000              1.0000000        
F   1
  1      0.0826600              1.0000000        
G   1
  1      2.4861000              1.0000000        
G   1
  1      0.7251000              1.0000000        
G   1
  1      0.2114800              1.0000000


name: aug-cc-pwCVTZ-NR
description: VTZ2P All-electron non-relativistic Core-Valence Triple Zeta + Polarization
elt: V
data:
VANADIUM
S   19
  1 3321857.0000000             8.039999E-06     
  2 497435.6000000              6.251402E-05     
  3 113202.7000000              0.0003286553     
  4  32063.3300000              0.001385697      
  5  10459.6200000              0.005016217      
  6   3775.5060000              0.01606931       
  7   1472.0400000              0.04574242       
  8    609.9331000              0.1128544        
  9    265.2634000              0.2254344        
 10    119.8607000              0.3140461        
 11     55.4489100              0.2267819        
 12     24.9837200              0.07334069       
 13     11.8805600              0.1102474        
 14      5.6603110              0.1131358        
 15      2.4957030              0.01971295       
 16      1.1778660             -0.0004719088     
 17      0.5200440              0.0001861606     
 18      0.1159650             -6.208598E-05     
 19      0.0589380              7.295314E-05     
S   19
  1 3321857.0000000            -4.503003E-06     
  2 497435.6000000             -3.501295E-05     
  3 113202.7000000             -0.0001841339     
  4  32063.3300000             -0.0007769216     
  5  10459.6200000             -0.002819505      
  6   3775.5060000             -0.009087486      
  7   1472.0400000             -0.02627134       
  8    609.9331000             -0.06712726       
  9    265.2634000             -0.1451130        
 10    119.8607000             -0.2412483        
 11     55.4489100             -0.2416314        
 12     24.9837200              0.03067362       
 13     11.8805600              0.4970415        
 14      5.6603110              0.4958875        
 15      2.4957030              0.09181868       
 16      1.1778660             -0.005392514      
 17      0.5200440              0.000710238      
 18      0.1159650             -0.0006363128     
 19      0.0589380              0.0005979932     
S   19
  1 3321857.0000000             9.320648E-07     
  2 497435.6000000              7.249306E-06     
  3 113202.7000000              3.811967E-05     
  4  32063.3300000              0.0001610238     
  5  10459.6200000              0.000585221      
  6   3775.5060000              0.001897502      
  7   1472.0400000              0.005550909      
  8    609.9331000              0.01460584       
  9    265.2634000              0.03342974       
 10    119.8607000              0.06235722       
 11     55.4489100              0.07312435       
 12     24.9837200             -0.01911472       
 13     11.8805600             -0.2817249        
 14      5.6603110             -0.4488151        
 15      2.4957030              0.09202696       
 16      1.1778660              0.7110117        
 17      0.5200440              0.4309274        
 18      0.1159650              0.02604589       
 19      0.0589380             -0.01101049       
S   19
  1 3321857.0000000            -2.158944E-07     
  2 497435.6000000             -1.678519E-06     
  3 113202.7000000             -8.831213E-06     
  4  32063.3300000             -3.727769E-05     
  5  10459.6200000             -0.0001356099     
  6   3775.5060000             -0.0004392351     
  7   1472.0400000             -0.001286948      
  8    609.9331000             -0.003382149      
  9    265.2634000             -0.007765646      
 10    119.8607000             -0.01447985       
 11     55.4489100             -0.01715502       
 12     24.9837200              0.004610101      
 13     11.8805600              0.06827831       
 14      5.6603110              0.1161368        
 15      2.4957030             -0.03277049       
 16      1.1778660             -0.2280000        
 17      0.5200440             -0.2793991        
 18      0.1159650              0.2771165        
 19      0.0589380              0.5852999        
S   19
  1 3321857.0000000            -4.093416E-07     
  2 497435.6000000             -3.258956E-06     
  3 113202.7000000             -1.65639E-05      
  4  32063.3300000             -7.316689E-05     
  5  10459.6200000             -0.0002512784     
  6   3775.5060000             -0.0008732657     
  7   1472.0400000             -0.002347654      
  8    609.9331000             -0.00685315       
  9    265.2634000             -0.0137642        
 10    119.8607000             -0.03084679       
 11     55.4489100             -0.02562208       
 12     24.9837200             -0.01005123       
 13     11.8805600              0.1795330        
 14      5.6603110              0.1522400        
 15      2.4957030              0.09483887       
 16      1.1778660             -1.0148760        
 17      0.5200440              0.2308810        
 18      0.1159650              2.1133210        
 19      0.0589380             -1.2530480        
S   19
  1 3321857.0000000            -6.539963E-07     
  2 497435.6000000             -5.267399E-06     
  3 113202.7000000             -2.632092E-05     
  4  32063.3300000             -0.0001188719     
  5  10459.6200000             -0.0003968552     
  6   3775.5060000             -0.00142746       
  7   1472.0400000             -0.003679181      
  8    609.9331000             -0.01130774       
  9    265.2634000             -0.02128221       
 10    119.8607000             -0.05218271       
 11     55.4489100             -0.03599014       
 12     24.9837200             -0.03088759       
 13     11.8805600              0.3380657        
 14      5.6603110              0.2389559        
 15      2.4957030              0.07609068       
 16      1.1778660             -2.4081130        
 17      0.5200440              2.6335920        
 18      0.1159650             -0.0535851        
 19      0.0589380             -2.2301350        
S   1
  1      0.0269460              1.0000000        
S   1
  1      3.2861000              1.0000000        
S   1
  1      0.8209000              1.0000000        
S   1
  1      0.0123200              1.0000000        
P   15
  1  13273.2000000              0.0000430        
  2   3142.1260000              0.0003840        
  3   1020.5880000              0.0022100        
  4    390.4407000              0.0096780        
  5    165.5043000              0.0339360        
  6     75.3200600              0.0959170        
  7     36.0550300              0.2088530        
  8     17.8043600              0.3306600        
  9      9.0029290              0.3323120        
 10      4.5945440              0.1581880        
 11      2.2767600              0.0222520        
 12      1.1011780             -0.0015650        
 13      0.5186380             -0.0013530        
 14      0.2005650             -0.0002650        
 15      0.0812910              0.0000290        
P   15
  1  13273.2000000             -0.0000150        
  2   3142.1260000             -0.0001310        
  3   1020.5880000             -0.0007550        
  4    390.4407000             -0.0033250        
  5    165.5043000             -0.0118110        
  6     75.3200600             -0.0342560        
  7     36.0550300             -0.0773630        
  8     17.8043600             -0.1284560        
  9      9.0029290             -0.1350780        
 10      4.5945440              0.0208380        
 11      2.2767600              0.3204990        
 12      1.1011780              0.4602600        
 13      0.5186380              0.2953460        
 14      0.2005650              0.0490460        
 15      0.0812910             -0.0038240        
P   15
  1  13273.2000000              0.0000040        
  2   3142.1260000              0.0000320        
  3   1020.5880000              0.0001830        
  4    390.4407000              0.0008020        
  5    165.5043000              0.0028620        
  6     75.3200600              0.0082870        
  7     36.0550300              0.0188700        
  8     17.8043600              0.0313070        
  9      9.0029290              0.0336600        
 10      4.5945440             -0.0094790        
 11      2.2767600             -0.0923130        
 12      1.1011780             -0.1489890        
 13      0.5186380             -0.0836440        
 14      0.2005650              0.2493390        
 15      0.0812910              0.5805150        
P   15
  1  13273.2000000              0.0000040        
  2   3142.1260000              0.0000390        
  3   1020.5880000              0.0002230        
  4    390.4407000              0.0009960        
  5    165.5043000              0.0034980        
  6     75.3200600              0.0102960        
  7     36.0550300              0.0229620        
  8     17.8043600              0.0392080        
  9      9.0029290              0.0399430        
 10      4.5945440             -0.0071210        
 11      2.2767600             -0.1162250        
 12      1.1011780             -0.1694960        
 13      0.5186380             -0.1553740        
 14      0.2005650              0.3950220        
 15      0.0812910              0.6789080        
P   15
  1  13273.2000000              0.0000090        
  2   3142.1260000              0.0000750        
  3   1020.5880000              0.0004790        
  4    390.4407000              0.0019060        
  5    165.5043000              0.0075120        
  6     75.3200600              0.0195300        
  7     36.0550300              0.0504020        
  8     17.8043600              0.0706850        
  9      9.0029290              0.1087750        
 10      4.5945440             -0.0585360        
 11      2.2767600             -0.2154480        
 12      1.1011780             -0.6773420        
 13      0.5186380              0.5859790        
 14      0.2005650              1.1291080        
 15      0.0812910             -0.9740510        
P   1
  1      0.0317950              1.0000000        
P   1
  1      4.6602000              1.0000000        
P   1
  1      1.0852000              1.0000000        
P   1
  1      0.0124400              1.0000000        
D   7
  1     77.6115000              0.0035950        
  2     22.9159000              0.0252100        
  3      8.2795400              0.0947860        
  4      3.3099300              0.2303630        
  5      1.3586300              0.3528940        
  6      0.5413500              0.3704140        
  7      0.2023560              0.2457180        
D   7
  1     77.6115000             -0.0038180        
  2     22.9159000             -0.0267170        
  3      8.2795400             -0.1036900        
  4      3.3099300             -0.2476890        
  5      1.3586300             -0.3115230        
  6      0.5413500             -0.0228270        
  7      0.2023560              0.5697260        
D   7
  1     77.6115000              0.0060010        
  2     22.9159000              0.0422060        
  3      8.2795400              0.1707510        
  4      3.3099300              0.3855180        
  5      1.3586300              0.2062040        
  6      0.5413500             -0.7786690        
  7      0.2023560             -0.1147210        
D   1
  1      0.0675680              1.0000000        
D   1
  1      2.9240000              1.0000000        
D   1
  1      1.3597000              1.0000000        
D   1
  1      0.0225600              1.0000000        
F   1
  1      3.6389000              1.0000000        
F   1
  1      1.2977000              1.0000000        
F   1
  1      0.4125000              1.0000000        
F   1
  1      0.1311200              1.0000000        
G   1
  1      3.3597000              1.0000000        
G   1
  1      1.1368000              1.0000000        
G   1
  1      0.3846500              1.0000000


name: aug-cc-pwCVTZ-NR
description: VTZ2P All-electron non-relativistic Core-Valence Triple Zeta + Polarization
elt: Cr
data:
CHROMIUM
S   19
  1 6177194.0000000             4.128667E-06     
  2 924929.5000000              3.210767E-05     
  3 210486.5000000              0.0001688416     
  4  59620.0500000              0.000712852      
  5  19450.7600000              0.002589325      
  6   7022.0560000              0.00837735       
  7   2738.7630000              0.02441725       
  8   1135.8140000              0.06365135       
  9    495.0923000              0.1427618        
 10    224.7487000              0.2541275        
 11    105.3836000              0.3009512        
 12     50.1935900              0.1766513        
 13     22.2495700              0.06936709       
 14     10.9826500              0.1179579        
 15      5.3836650              0.08916187       
 16      2.3436850              0.0110363        
 17      1.1052020             -0.0003546048     
 18      0.4878480              0.0001057311     
 19      0.0895990              1.11464E-05      
S   19
  1 6177194.0000000            -2.301772E-06     
  2 924929.5000000             -1.789536E-05     
  3 210486.5000000             -9.416174E-05     
  4  59620.0500000             -0.0003975074     
  5  19450.7600000             -0.001447025      
  6   7022.0560000             -0.004694622      
  7   2738.7630000             -0.01382387       
  8   1135.8140000             -0.03674643       
  9    495.0923000             -0.08647185       
 10    224.7487000             -0.1696735        
 11    105.3836000             -0.2507089        
 12     50.1935900             -0.1961156        
 13     22.2495700              0.1457244        
 14     10.9826500              0.5466706        
 15      5.3836650              0.3979434        
 16      2.3436850              0.05277007       
 17      1.1052020             -0.004374537      
 18      0.4878480              0.0003204035     
 19      0.0895990             -5.142077E-05     
S   19
  1 6177194.0000000             4.862957E-07     
  2 924929.5000000              3.776645E-06     
  3 210486.5000000              1.990664E-05     
  4  59620.0500000              8.389164E-05     
  5  19450.7600000              0.0003065706     
  6   7022.0560000              0.0009944107     
  7   2738.7630000              0.002961959      
  8   1135.8140000              0.007969473      
  9    495.0923000              0.01955017       
 10    224.7487000              0.04085035       
 11    105.3836000              0.06929003       
 12     50.1935900              0.06146984       
 13     22.2495700             -0.06981302       
 14     10.9826500             -0.3517597        
 15      5.3836650             -0.3828629        
 16      2.3436850              0.2676401        
 17      1.1052020              0.7175950        
 18      0.4878480              0.3020814        
 19      0.0895990              0.007749514      
S   19
  1 6177194.0000000            -1.102451E-07     
  2 924929.5000000             -8.530233E-07     
  3 210486.5000000             -4.520358E-06     
  4  59620.0500000             -1.891612E-05     
  5  19450.7600000             -6.974344E-05     
  6   7022.0560000             -0.0002237867     
  7   2738.7630000             -0.0006754503     
  8   1135.8140000             -0.001789346      
  9    495.0923000             -0.004477858      
 10    224.7487000             -0.009140144      
 11    105.3836000             -0.01610562       
 12     50.1935900             -0.0133487        
 13     22.2495700              0.01426027       
 14     10.9826500              0.0893169        
 15      5.3836650              0.08885279       
 16      2.3436850             -0.06368776       
 17      1.1052020             -0.2783262        
 18      0.4878480             -0.1830071        
 19      0.0895990              0.6790937        
S   19
  1 6177194.0000000             2.179893E-07     
  2 924929.5000000              1.61294E-06      
  3 210486.5000000              9.111842E-06     
  4  59620.0500000              3.500645E-05     
  5  19450.7600000              0.0001435315     
  6   7022.0560000              0.0004035896     
  7   2738.7630000              0.001425177      
  8   1135.8140000              0.003114009      
  9    495.0923000              0.009814449      
 10    224.7487000              0.01474698       
 11    105.3836000              0.03911512       
 12     50.1935900              0.009170888      
 13     22.2495700              0.01559878       
 14     10.9826500             -0.2816844        
 15      5.3836650             -0.006895261      
 16      2.3436850             -0.1769781        
 17      1.1052020              1.4430610        
 18      0.4878480             -1.0293180        
 19      0.0895990             -1.3076670        
S   19
  1 6177194.0000000            -3.66901E-07      
  2 924929.5000000             -2.768353E-06     
  3 210486.5000000             -1.521014E-05     
  4  59620.0500000             -6.066288E-05     
  5  19450.7600000             -0.0002374959     
  6   7022.0560000             -0.0007077071     
  7   2738.7630000             -0.002334389      
  8   1135.8140000             -0.005555062      
  9    495.0923000             -0.01585142       
 10    224.7487000             -0.02737888       
 11    105.3836000             -0.06106975       
 12     50.1935900             -0.02887227       
 13     22.2495700              0.006813714      
 14     10.9826500              0.4327670        
 15      5.3836650              0.1968410        
 16      2.3436850             -0.3764657        
 17      1.1052020             -2.0524730        
 18      0.4878480              2.9757410        
 19      0.0895990             -2.2117050        
S   1
  1      0.0334230              1.0000000        
S   1
  1      4.7880000              1.0000000        
S   1
  1      1.1404000              1.0000000        
S   1
  1      0.0124700              1.0000000        
P   15
  1  14454.2000000              0.0000440        
  2   3421.6760000              0.0003890        
  3   1111.3870000              0.0022410        
  4    425.1918000              0.0098210        
  5    180.2623000              0.0344710        
  6     82.0611700              0.0974600        
  7     39.2972600              0.2119850        
  8     19.4195900              0.3339900        
  9      9.8288990              0.3301370        
 10      5.0168100              0.1522270        
 11      2.4870910              0.0204250        
 12      1.1987800             -0.0013600        
 13      0.5586950             -0.0011950        
 14      0.2089240             -0.0001970        
 15      0.0846080              0.0000230        
P   15
  1  14454.2000000             -0.0000150        
  2   3421.6760000             -0.0001350        
  3   1111.3870000             -0.0007770        
  4    425.1918000             -0.0034270        
  5    180.2623000             -0.0121890        
  6     82.0611700             -0.0353880        
  7     39.2972600             -0.0799150        
  8     19.4195900             -0.1323350        
  9      9.8288990             -0.1354010        
 10      5.0168100              0.0320080        
 11      2.4870910              0.3338490        
 12      1.1987800              0.4617730        
 13      0.5586950              0.2812900        
 14      0.2089240              0.0418430        
 15      0.0846080             -0.0040020        
P   15
  1  14454.2000000              0.0000040        
  2   3421.6760000              0.0000320        
  3   1111.3870000              0.0001850        
  4    425.1918000              0.0008100        
  5    180.2623000              0.0029060        
  6     82.0611700              0.0083910        
  7     39.2972600              0.0191930        
  8     19.4195900              0.0315640        
  9      9.8288990              0.0334170        
 10      5.0168100             -0.0129070        
 11      2.4870910             -0.0936590        
 12      1.1987800             -0.1499770        
 13      0.5586950             -0.0672340        
 14      0.2089240              0.2707590        
 15      0.0846080              0.5758070        
P   15
  1  14454.2000000              0.0000040        
  2   3421.6760000              0.0000400        
  3   1111.3870000              0.0002290        
  4    425.1918000              0.0010190        
  5    180.2623000              0.0036020        
  6     82.0611700              0.0105500        
  7     39.2972600              0.0237020        
  8     19.4195900              0.0399880        
  9      9.8288990              0.0404370        
 10      5.0168100             -0.0120740        
 11      2.4870910             -0.1189390        
 12      1.1987800             -0.1781000        
 13      0.5586950             -0.1238650        
 14      0.2089240              0.4297220        
 15      0.0846080              0.6507860        
P   15
  1  14454.2000000              0.0000100        
  2   3421.6760000              0.0000790        
  3   1111.3870000              0.0005120        
  4    425.1918000              0.0020230        
  5    180.2623000              0.0080550        
  6     82.0611700              0.0207720        
  7     39.2972600              0.0542240        
  8     19.4195900              0.0746850        
  9      9.8288990              0.1159890        
 10      5.0168100             -0.0765840        
 11      2.4870910             -0.2439310        
 12      1.1987800             -0.6801810        
 13      0.5586950              0.7336640        
 14      0.2089240              0.9991200        
 15      0.0846080             -1.0170810        
P   1
  1      0.0332580              1.0000000        
P   1
  1      5.2509000              1.0000000        
P   1
  1      1.2051000              1.0000000        
P   1
  1      0.0130700              1.0000000        
D   7
  1     88.5768000              0.0036210        
  2     26.2045000              0.0257660        
  3      9.5174700              0.0975560        
  4      3.8224800              0.2363120        
  5      1.5751200              0.3582860        
  6      0.6289280              0.3685430        
  7      0.2344240              0.2354940        
D   7
  1     88.5768000             -0.0041220        
  2     26.2045000             -0.0293070        
  3      9.5174700             -0.1150620        
  4      3.8224800             -0.2730680        
  5      1.5751200             -0.3144230        
  6      0.6289280              0.0420970        
  7      0.2344240              0.5914030        
D   7
  1     88.5768000              0.0059540        
  2     26.2045000              0.0425320        
  3      9.5174700              0.1745110        
  4      3.8224800              0.3939000        
  5      1.5751200              0.1492790        
  6      0.6289280             -0.8102450        
  7      0.2344240              0.0109110        
D   1
  1      0.0768150              1.0000000        
D   1
  1      3.4077000              1.0000000        
D   1
  1      1.5922000              1.0000000        
D   1
  1      0.0251700              1.0000000        
F   1
  1      4.3857000              1.0000000        
F   1
  1      1.6018000              1.0000000        
F   1
  1      0.5315000              1.0000000        
F   1
  1      0.1763600              1.0000000        
G   1
  1      4.0730000              1.0000000        
G   1
  1      1.4459000              1.0000000        
G   1
  1      0.5132900              1.0000000


name: aug-cc-pwCVTZ-NR
description: VTZ2P All-electron non-relativistic Core-Valence Triple Zeta + Polarization
elt: Mn
data:
MANGANESE
S   19
  1 3960805.0000000             8.242127E-06     
  2 593115.5000000              6.408587E-05     
  3 134976.8000000              0.0003369253     
  4  38230.6700000              0.001420648      
  5  12471.5400000              0.005143683      
  6   4501.7430000              0.01648569       
  7   1755.2120000              0.0469856        
  8    727.3039000              0.1162437        
  9    316.3678000              0.2335277        
 10    143.0098000              0.3292837        
 11     66.2180500              0.2440304        
 12     29.9189600              0.07219806       
 13     14.3031800              0.07687806       
 14      6.8394510              0.07852235       
 15      3.0123740              0.01294109       
 16      1.4188080             -0.0003784873     
 17      0.6236240             -2.503203E-05     
 18      0.1340980             -2.421517E-05     
 19      0.0655480              3.462071E-05     
S   19
  1 3960805.0000000            -3.936095E-06     
  2 593115.5000000             -3.060481E-05     
  3 134976.8000000             -0.0001609626     
  4  38230.6700000             -0.0006792348     
  5  12471.5400000             -0.002466182      
  6   4501.7430000             -0.007957629      
  7   1755.2120000             -0.02307248       
  8    727.3039000             -0.05932956       
  9    316.3678000             -0.1299451        
 10    143.0098000             -0.2212352        
 11     66.2180500             -0.2292550        
 12     29.9189600              0.03580733       
 13     14.3031800              0.5107602        
 14      6.8394510              0.5008307        
 15      3.0123740              0.0901183        
 16      1.4188080             -0.006909909      
 17      0.6236240             -0.0001912925     
 18      0.1340980             -0.0006032312     
 19      0.0655480              0.0005621608     
S   19
  1 3960805.0000000             9.462709E-07     
  2 593115.5000000              7.360584E-06     
  3 134976.8000000              3.869935E-05     
  4  38230.6700000              0.000163511      
  5  12471.5400000              0.0005941775     
  6   4501.7430000              0.001927737      
  7   1755.2120000              0.005641731      
  8    727.3039000              0.01487848       
  9    316.3678000              0.03414783       
 10    143.0098000              0.06405794       
 11     66.2180500              0.07557659       
 12     29.9189600             -0.0194607        
 13     14.3031800             -0.2957874        
 14      6.8394510             -0.4521170        
 15      3.0123740              0.1224531        
 16      1.4188080              0.7169756        
 17      0.6236240              0.4092712        
 18      0.1340980              0.02221969       
 19      0.0655480             -0.009011202      
S   19
  1 3960805.0000000            -2.095391E-07     
  2 593115.5000000             -1.629439E-06     
  3 134976.8000000             -8.570592E-06     
  4  38230.6700000             -3.619272E-05     
  5  12471.5400000             -0.0001316146     
  6   4501.7430000             -0.000426681      
  7   1755.2120000             -0.00125027       
  8    727.3039000             -0.003294665      
  9    316.3678000             -0.00758186       
 10    143.0098000             -0.01422864       
 11     66.2180500             -0.01693796       
 12     29.9189600              0.004454298      
 13     14.3031800              0.06867042       
 14      6.8394510              0.1113335        
 15      3.0123740             -0.0390082        
 16      1.4188080             -0.2215755        
 17      0.6236240             -0.2544359        
 18      0.1340980              0.2865866        
 19      0.0655480              0.5755741        
S   19
  1 3960805.0000000            -4.121231E-07     
  2 593115.5000000             -3.282099E-06     
  3 134976.8000000             -1.667433E-05     
  4  38230.6700000             -7.369999E-05     
  5  12471.5400000             -0.0002529495     
  6   4501.7430000             -0.0008801425     
  7   1755.2120000             -0.002365482      
  8    727.3039000             -0.006926354      
  9    316.3678000             -0.01393851       
 10    143.0098000             -0.0314384        
 11     66.2180500             -0.02625749       
 12     29.9189600             -0.01048313       
 13     14.3031800              0.1856472        
 14      6.8394510              0.1524839        
 15      3.0123740              0.07411368       
 16      1.4188080             -1.0180970        
 17      0.6236240              0.2980372        
 18      0.1340980              1.9719890        
 19      0.0655480             -1.1792530        
S   19
  1 3960805.0000000            -6.805493E-07     
  2 593115.5000000             -5.460516E-06     
  3 134976.8000000             -2.743893E-05     
  4  38230.6700000             -0.0001230291     
  5  12471.5400000             -0.0004146269     
  6   4501.7430000             -0.001475151      
  7   1755.2120000             -0.00385914       
  8    727.3039000             -0.01168405       
  9    316.3678000             -0.02257185       
 10    143.0098000             -0.05399759       
 11     66.2180500             -0.04032351       
 12     29.9189600             -0.02742526       
 13     14.3031800              0.3485593        
 14      6.8394510              0.2757818        
 15      3.0123740             -0.05499812       
 16      1.4188080             -2.2925450        
 17      0.6236240              2.6356440        
 18      0.1340980             -0.3379113        
 19      0.0655480             -1.7896070        
S   1
  1      0.0295840              1.0000000        
S   1
  1      4.1090000              1.0000000        
S   1
  1      1.0656000              1.0000000        
S   1
  1      0.0133500              1.0000000        
P   15
  1  16205.8600000              0.0000420        
  2   3836.2740000              0.0003730        
  3   1246.0480000              0.0021490        
  4    476.7535000              0.0094450        
  5    202.1895000              0.0332970        
  6     92.0948700              0.0947590        
  7     44.1472000              0.2081440        
  8     21.8546800              0.3318050        
  9     11.0859600              0.3331750        
 10      5.6741080              0.1576010        
 11      2.8231700              0.0214450        
 12      1.3686210             -0.0025580        
 13      0.6444310             -0.0020270        
 14      0.2483820             -0.0003600        
 15      0.0972550              0.0000340        
P   15
  1  16205.8600000             -0.0000150        
  2   3836.2740000             -0.0001290        
  3   1246.0480000             -0.0007480        
  4    476.7535000             -0.0033080        
  5    202.1895000             -0.0118110        
  6     92.0948700             -0.0345330        
  7     44.1472000             -0.0787850        
  8     21.8546800             -0.1321830        
  9     11.0859600             -0.1371950        
 10      5.6741080              0.0270750        
 11      2.8231700              0.3288910        
 12      1.3686210              0.4572800        
 13      0.6444310              0.2889080        
 14      0.2483820              0.0474330        
 15      0.0972550             -0.0035220        
P   15
  1  16205.8600000              0.0000030        
  2   3836.2740000              0.0000300        
  3   1246.0480000              0.0001720        
  4    476.7535000              0.0007620        
  5    202.1895000              0.0027260        
  6     92.0948700              0.0079760        
  7     44.1472000              0.0182870        
  8     21.8546800              0.0307760        
  9     11.0859600              0.0323730        
 10      5.6741080             -0.0099780        
 11      2.8231700             -0.0905290        
 12      1.3686210             -0.1380040        
 13      0.6444310             -0.0779650        
 14      0.2483820              0.2295600        
 15      0.0972550              0.5761220        
P   15
  1  16205.8600000              0.0000040        
  2   3836.2740000              0.0000400        
  3   1246.0480000              0.0002260        
  4    476.7535000              0.0010130        
  5    202.1895000              0.0035750        
  6     92.0948700              0.0106120        
  7     44.1472000              0.0239020        
  8     21.8546800              0.0412790        
  9     11.0859600              0.0414750        
 10      5.6741080             -0.0094580        
 11      2.8231700             -0.1236950        
 12      1.3686210             -0.1743920        
 13      0.6444310             -0.1291700        
 14      0.2483820              0.4003480        
 15      0.0972550              0.6696460        
P   15
  1  16205.8600000              0.0000100        
  2   3836.2740000              0.0000810        
  3   1246.0480000              0.0005120        
  4    476.7535000              0.0020710        
  5    202.1895000              0.0081110        
  6     92.0948700              0.0215570        
  7     44.1472000              0.0553160        
  8     21.8546800              0.0802630        
  9     11.0859600              0.1177300        
 10      5.6741080             -0.0650690        
 11      2.8231700             -0.2829140        
 12      1.3686210             -0.6491660        
 13      0.6444310              0.6925670        
 14      0.2483820              0.9789900        
 15      0.0972550             -0.9213570        
P   1
  1      0.0366330              1.0000000        
P   1
  1      6.0291000              1.0000000        
P   1
  1      1.3874000              1.0000000        
P   1
  1      0.0138000              1.0000000        
D   7
  1    100.6630000              0.0035790        
  2     29.8336000              0.0258270        
  3     10.8894000              0.0985590        
  4      4.3935800              0.2383270        
  5      1.8178200              0.3587070        
  6      0.7278270              0.3650920        
  7      0.2712950              0.2337380        
D   7
  1    100.6630000             -0.0034540        
  2     29.8336000             -0.0249250        
  3     10.8894000             -0.0976350        
  4      4.3935800             -0.2366920        
  5      1.8178200             -0.2923500        
  6      0.7278270             -0.0049730        
  7      0.2712950              0.5065880        
D   7
  1    100.6630000              0.0056850        
  2     29.8336000              0.0411710        
  3     10.8894000              0.1693220        
  4      4.3935800              0.3859120        
  5      1.8178200              0.1869090        
  6      0.7278270             -0.6781130        
  7      0.2712950             -0.2582600        
D   1
  1      0.0883090              1.0000000        
D   1
  1      3.9425000              1.0000000        
D   1
  1      1.8487000              1.0000000        
D   1
  1      0.0287500              1.0000000        
F   1
  1      5.1816000              1.0000000        
F   1
  1      1.9232000              1.0000000        
F   1
  1      0.6543000              1.0000000        
F   1
  1      0.2226000              1.0000000        
G   1
  1      4.7538000              1.0000000        
G   1
  1      1.7335000              1.0000000        
G   1
  1      0.6321300              1.0000000


name: aug-cc-pwCVTZ-NR
description: VTZ2P All-electron non-relativistic Core-Valence Triple Zeta + Polarization
elt: Fe
data:
IRON
S   19
  1 4316265.0000000             8.048803E-06     
  2 646342.4000000              6.258306E-05     
  3 147089.7000000              0.0003290239     
  4  41661.5200000              0.001387355      
  5  13590.7700000              0.005023256      
  6   4905.7500000              0.0161014        
  7   1912.7460000              0.04590034       
  8    792.6043000              0.1136154        
  9    344.8065000              0.2283869        
 10    155.8999000              0.3221159        
 11     72.2309100              0.2383661        
 12     32.7250600              0.07404667       
 13     15.6676200              0.09214197       
 14      7.5034830              0.0933979        
 15      3.3122230              0.01573965       
 16      1.5584710             -0.0004186682     
 17      0.6839140              5.376318E-05     
 18      0.1467570             -3.816654E-05     
 19      0.0705830              4.319603E-05     
S   19
  1 4316265.0000000            -4.155954E-06     
  2 646342.4000000             -3.231401E-05     
  3 147089.7000000             -0.0001699525     
  4  41661.5200000             -0.0007171369     
  5  13590.7700000             -0.002603625      
  6   4905.7500000             -0.008399109      
  7   1912.7460000             -0.02434109       
  8    792.6043000             -0.06251948       
  9    344.8065000             -0.1365929        
 10    155.8999000             -0.2312707        
 11     72.2309100             -0.2383734        
 12     32.7250600              0.03123837       
 13     15.6676200              0.5086818        
 14      7.5034830              0.4987695        
 15      3.3122230              0.09033552       
 16      1.5584710             -0.006005337      
 17      0.6839140              0.0002312454     
 18      0.1467570             -0.000564368      
 19      0.0705830              0.000499226      
S   19
  1 4316265.0000000             9.532178E-07     
  2 646342.4000000              7.414605E-06     
  3 147089.7000000              3.898393E-05     
  4  41661.5200000              0.0001647152     
  5  13590.7700000              0.000598598      
  6   4905.7500000              0.00194239       
  7   1912.7460000              0.005687237      
  8    792.6043000              0.01501329       
  9    344.8065000              0.03452455       
 10    155.8999000              0.0649582        
 11     72.2309100              0.07716194       
 12     32.7250600             -0.01873411       
 13     15.6676200             -0.3009185        
 14      7.5034830             -0.4554661        
 15      3.3122230              0.1286463        
 16      1.5584710              0.7183316        
 17      0.6839140              0.4051743        
 18      0.1467570              0.02168227       
 19      0.0705830             -0.008343566      
S   19
  1 4316265.0000000            -2.063008E-07     
  2 646342.4000000             -1.604169E-06     
  3 147089.7000000             -8.438437E-06     
  4  41661.5200000             -3.563151E-05     
  5  13590.7700000             -0.0001295998     
  6   4905.7500000             -0.0004201534     
  7   1912.7460000             -0.001231954      
  8    792.6043000             -0.003248922      
  9    344.8065000             -0.007493717      
 10    155.8999000             -0.01410102       
 11     72.2309100             -0.0169160        
 12     32.7250600              0.004218996      
 13     15.6676200              0.0683381        
 14      7.5034830              0.1098201        
 15      3.3122230             -0.04009005       
 16      1.5584710             -0.2174739        
 17      0.6839140             -0.2465135        
 18      0.1467570              0.2731435        
 19      0.0705830              0.5748321        
S   19
  1 4316265.0000000            -4.009367E-07     
  2 646342.4000000             -3.189255E-06     
  3 147089.7000000             -1.623079E-05     
  4  41661.5200000             -7.15792E-05      
  5  13590.7700000             -0.0002463958     
  6   4905.7500000             -0.0008544907     
  7   1912.7460000             -0.002307593      
  8    792.6043000             -0.006728292      
  9    344.8065000             -0.01366165       
 10    155.8999000             -0.0306224        
 11     72.2309100             -0.02631137       
 12     32.7250600             -0.009760183      
 13     15.6676200              0.1801906        
 14      7.5034830              0.1529634        
 15      3.3122230              0.05505413       
 16      1.5584710             -0.9551364        
 17      0.6839140              0.2586813        
 18      0.1467570              1.8340490        
 19      0.0705830             -0.9333240        
S   19
  1 4316265.0000000            -6.966042E-07     
  2 646342.4000000             -5.568036E-06     
  3 147089.7000000             -2.813684E-05     
  4  41661.5200000             -0.0001252418     
  5  13590.7700000             -0.0004260787     
  6   4905.7500000             -0.00149906       
  7   1912.7460000             -0.003979103      
  8    792.6043000             -0.01185686       
  9    344.8065000             -0.02346734       
 10    155.8999000             -0.05467736       
 11     72.2309100             -0.0439382        
 12     32.7250600             -0.02376103       
 13     15.6676200              0.3435928        
 14      7.5034830              0.3192960        
 15      3.3122230             -0.1343207        
 16      1.5584710             -2.2210200        
 17      0.6839140              2.5711420        
 18      0.1467570             -0.2292404        
 19      0.0705830             -1.8324520        
S   1
  1      0.0314490              1.0000000        
S   1
  1      4.6116000              1.0000000        
S   1
  1      1.2169000              1.0000000        
S   1
  1      0.0140100              1.0000000        
P   15
  1  17745.6900000              0.0000410        
  2   4200.7210000              0.0003690        
  3   1364.4290000              0.0021290        
  4    522.0806000              0.0093690        
  5    221.4595000              0.0330970        
  6    100.9096000              0.0944310        
  7     48.4011500              0.2080770        
  8     23.9853600              0.3323330        
  9     12.1825000              0.3329870        
 10      6.2422980              0.1568430        
 11      3.1109440              0.0215490        
 12      1.5099580             -0.0020950        
 13      0.7108450             -0.0017390        
 14      0.2731900             -0.0003000        
 15      0.1042330              0.0000290        
P   15
  1  17745.6900000             -0.0000150        
  2   4200.7210000             -0.0001300        
  3   1364.4290000             -0.0007510        
  4    522.0806000             -0.0033290        
  5    221.4595000             -0.0119120        
  6    100.9096000             -0.0349330        
  7     48.4011500             -0.0799890        
  8     23.9853600             -0.1346360        
  9     12.1825000             -0.1385980        
 10      6.2422980              0.0302780        
 11      3.1109440              0.3332160        
 12      1.5099580              0.4561530        
 13      0.7108450              0.2850510        
 14      0.2731900              0.0461440        
 15      0.1042330             -0.0032490        
P   15
  1  17745.6900000              0.0000030        
  2   4200.7210000              0.0000290        
  3   1364.4290000              0.0001650        
  4    522.0806000              0.0007340        
  5    221.4595000              0.0026260        
  6    100.9096000              0.0077250        
  7     48.4011500              0.0177330        
  8     23.9853600              0.0300550        
  9     12.1825000              0.0310940        
 10      6.2422980             -0.0100480        
 11      3.1109440             -0.0883060        
 12      1.5099580             -0.1298240        
 13      0.7108450             -0.0769370        
 14      0.2731900              0.2126610        
 15      0.1042330              0.5730610        
P   15
  1  17745.6900000              0.0000050        
  2   4200.7210000              0.0000420        
  3   1364.4290000              0.0002410        
  4    522.0806000              0.0010850        
  5    221.4595000              0.0038310        
  6    100.9096000              0.0114230        
  7     48.4011500              0.0257920        
  8     23.9853600              0.0448180        
  9     12.1825000              0.0445980        
 10      6.2422980             -0.0111770        
 11      3.1109440             -0.1381340        
 12      1.5099580             -0.1882850        
 13      0.7108450             -0.1073990        
 14      0.2731900              0.4448630        
 15      0.1042330              0.6402390        
P   15
  1  17745.6900000              0.0000110        
  2   4200.7210000              0.0000870        
  3   1364.4290000              0.0005410        
  4    522.0806000              0.0022260        
  5    221.4595000              0.0085930        
  6    100.9096000              0.0233390        
  7     48.4011500              0.0588440        
  8     23.9853600              0.0882890        
  9     12.1825000              0.1231920        
 10      6.2422980             -0.0631860        
 11      3.1109440             -0.3549020        
 12      1.5099580             -0.6197080        
 13      0.7108450              0.8129860        
 14      0.2731900              0.8191180        
 15      0.1042330             -0.9017050        
P   1
  1      0.0382910              1.0000000        
P   1
  1      6.7110000              1.0000000        
P   1
  1      1.6079000              1.0000000        
P   1
  1      0.0140700              1.0000000        
D   7
  1    113.3440000              0.0035300        
  2     33.6414000              0.0257840        
  3     12.3310000              0.0991190        
  4      4.9947800              0.2390730        
  5      2.0728000              0.3571990        
  6      0.8307530              0.3621880        
  7      0.3091780              0.2364610        
D   7
  1    113.3440000             -0.0038900        
  2     33.6414000             -0.0284420        
  3     12.3310000             -0.1124290        
  4      4.9947800             -0.2742570        
  5      2.0728000             -0.3155460        
  6      0.8307530              0.0571090        
  7      0.3091780              0.5636040        
D   7
  1    113.3440000              0.0056950        
  2     33.6414000              0.0420010        
  3     12.3310000              0.1735400        
  4      4.9947800              0.4101570        
  5      2.0728000              0.1132520        
  6      0.8307530             -0.7696800        
  7      0.3091780             -0.0316430        
D   1
  1      0.1001300              1.0000000        
D   1
  1      4.5326000              1.0000000        
D   1
  1      2.1303000              1.0000000        
D   1
  1      0.0324300              1.0000000        
F   1
  1      6.0522000              1.0000000        
F   1
  1      2.2818000              1.0000000        
F   1
  1      0.7920000              1.0000000        
F   1
  1      0.2749000              1.0000000        
G   1
  1      5.5476000              1.0000000        
G   1
  1      2.0897000              1.0000000        
G   1
  1      0.7871600              1.0000000


name: aug-cc-pwCVTZ-NR
description: VTZ2P All-electron non-relativistic Core-Valence Triple Zeta + Polarization
elt: Co
data:
COBALT
S   19
  1 4675675.0000000             7.979026E-06     
  2 700161.5000000              6.204071E-05     
  3 159337.3000000              0.0003261735     
  4  45130.4600000              0.00137536       
  5  14722.3800000              0.004979997      
  6   5314.2220000              0.01596434       
  7   2072.0180000              0.04552086       
  8    858.6188000              0.1127385        
  9    373.5497000              0.2268262        
 10    168.9229000              0.3203074        
 11     78.2963900              0.2374021        
 12     35.5212300              0.07477686       
 13     17.0414400              0.09581872       
 14      8.1730000              0.09649911       
 15      3.6103180              0.01623362       
 16      1.6970470             -0.0004535497     
 17      0.7435320              5.113519E-05     
 18      0.1583440             -4.174508E-05     
 19      0.0750360              4.027577E-05     
S   19
  1 4675675.0000000            -4.20024E-06      
  2 700161.5000000             -3.265831E-05     
  3 159337.3000000             -0.0001717644     
  4  45130.4600000             -0.0007247853     
  5  14722.3800000             -0.002631462      
  6   5314.2220000             -0.008489272      
  7   2072.0180000             -0.02460619       
  8    858.6188000             -0.06322059       
  9    373.5497000             -0.1381957        
 10    168.9229000             -0.2340680        
 11     78.2963900             -0.2415002        
 12     35.5212300              0.03035312       
 13     17.0414400              0.5101341        
 14      8.1730000              0.4974939        
 15      3.6103180              0.08970746       
 16      1.6970470             -0.005941034      
 17      0.7435320              0.0002175362     
 18      0.1583440             -0.0005480155     
 19      0.0750360              0.0004525804     
S   19
  1 4675675.0000000             9.592692E-07     
  2 700161.5000000              7.461851E-06     
  3 159337.3000000              3.923137E-05     
  4  45130.4600000              0.0001657706     
  5  14722.3800000              0.0006024335     
  6   5314.2220000              0.001955217      
  7   2072.0180000              0.005726326      
  8    858.6188000              0.01512984       
  9    373.5497000              0.03483973       
 10    168.9229000              0.06570351       
 11     78.2963900              0.07831503       
 12     35.5212300             -0.01877037       
 13     17.0414400             -0.3062663        
 14      8.1730000             -0.4566429        
 15      3.6103180              0.1378169        
 16      1.6970470              0.7193676        
 17      0.7435320              0.3992579        
 18      0.1583440              0.02079933       
 19      0.0750360             -0.007820663      
S   19
  1 4675675.0000000            -2.02884E-07      
  2 700161.5000000             -1.57758E-06      
  3 159337.3000000             -8.298813E-06     
  4  45130.4600000             -3.504154E-05     
  5  14722.3800000             -0.0001274655     
  6   5314.2220000             -0.0004132695     
  7   2072.0180000             -0.001212261      
  8    858.6188000             -0.003199318      
  9    373.5497000             -0.007390972      
 10    168.9229000             -0.01393649       
 11     78.2963900             -0.01678575       
 12     35.5212300              0.004149856      
 13     17.0414400              0.06797646       
 14      8.1730000              0.1075807        
 15      3.6103180             -0.04166022       
 16      1.6970470             -0.2128044        
 17      0.7435320             -0.2381360        
 18      0.1583440              0.2650788        
 19      0.0750360              0.5722774        
S   19
  1 4675675.0000000            -3.863053E-07     
  2 700161.5000000             -3.068788E-06     
  3 159337.3000000             -1.564826E-05     
  4  45130.4600000             -6.883588E-05     
  5  14722.3800000             -0.0002377367     
  6   5314.2220000             -0.0008213173     
  7   2072.0180000             -0.00222963       
  8    858.6188000             -0.006467841      
  9    373.5497000             -0.01325463       
 10    168.9229000             -0.02946686       
 11     78.2963900             -0.02599066       
 12     35.5212300             -0.008499807      
 13     17.0414400              0.1727316        
 14      8.1730000              0.1512189        
 15      3.6103180              0.03554509       
 16      1.6970470             -0.8829353        
 17      0.7435320              0.2143530        
 18      0.1583440              1.7118650        
 19      0.0750360             -0.7140037        
S   19
  1 4675675.0000000            -7.174687E-07     
  2 700161.5000000             -5.722157E-06     
  3 159337.3000000             -2.90097E-05      
  4  45130.4600000             -0.0001285845     
  5  14722.3800000             -0.0004398434     
  6   5314.2220000             -0.001537586      
  7   2072.0180000             -0.004116022      
  8    858.6188000             -0.01215514       
  9    373.5497000             -0.02440441       
 10    168.9229000             -0.05601976       
 11     78.2963900             -0.04689449       
 12     35.5212300             -0.02168828       
 13     17.0414400              0.3477789        
 14      8.1730000              0.3500597        
 15      3.6103180             -0.2048551        
 16      1.6970470             -2.1632110        
 17      0.7435320              2.5240910        
 18      0.1583440             -0.1590011        
 19      0.0750360             -1.8252670        
S   1
  1      0.0330910              1.0000000        
S   1
  1      5.1431000              1.0000000        
S   1
  1      1.3580000              1.0000000        
S   1
  1      0.0145900              1.0000000        
P   15
  1  19267.7800000              0.0000410        
  2   4560.9860000              0.0003690        
  3   1481.4360000              0.0021280        
  4    566.8671000              0.0093720        
  5    240.4910000              0.0331550        
  6    109.6105000              0.0947520        
  7     52.5949100              0.2090930        
  8     26.0836100              0.3337220        
  9     13.2614300              0.3322080        
 10      6.7997780              0.1546130        
 11      3.3934140              0.0209020        
 12      1.6487660             -0.0020240        
 13      0.7762820             -0.0016970        
 14      0.2980030             -0.0002800        
 15      0.1136180              0.0000260        
P   15
  1  19267.7800000             -0.0000150        
  2   4560.9860000             -0.0001310        
  3   1481.4360000             -0.0007580        
  4    566.8671000             -0.0033630        
  5    240.4910000             -0.0120540        
  6    109.6105000             -0.0354240        
  7     52.5949100             -0.0812870        
  8     26.0836100             -0.1369080        
  9     13.2614300             -0.1390190        
 10      6.7997780              0.0354680        
 11      3.3934140              0.3384980        
 12      1.6487660              0.4544330        
 13      0.7762820              0.2797930        
 14      0.2980030              0.0447760        
 15      0.1136180             -0.0031510        
P   15
  1  19267.7800000             -0.0000030        
  2   4560.9860000             -0.0000290        
  3   1481.4360000             -0.0001670        
  4    566.8671000             -0.0007420        
  5    240.4910000             -0.0026620        
  6    109.6105000             -0.0078410        
  7     52.5949100             -0.0180510        
  8     26.0836100             -0.0305800        
  9     13.2614300             -0.0313120        
 10      6.7997780              0.0113110        
 11      3.3934140              0.0899900        
 12      1.6487660              0.1307330        
 13      0.7762820              0.0718080        
 14      0.2980030             -0.2216580        
 15      0.1136180             -0.5710250        
P   15
  1  19267.7800000              0.0000050        
  2   4560.9860000              0.0000450        
  3   1481.4360000              0.0002550        
  4    566.8671000              0.0011440        
  5    240.4910000              0.0040610        
  6    109.6105000              0.0120950        
  7     52.5949100              0.0274760        
  8     26.0836100              0.0475570        
  9     13.2614300              0.0473020        
 10      6.7997780             -0.0144180        
 11      3.3934140             -0.1500620        
 12      1.6487660             -0.1990920        
 13      0.7762820             -0.0797830        
 14      0.2980030              0.4590350        
 15      0.1136180              0.6174950        
P   15
  1  19267.7800000              0.0000110        
  2   4560.9860000              0.0000920        
  3   1481.4360000              0.0005630        
  4    566.8671000              0.0023540        
  5    240.4910000              0.0089760        
  6    109.6105000              0.0248100        
  7     52.5949100              0.0615800        
  8     26.0836100              0.0947770        
  9     13.2614300              0.1266930        
 10      6.7997780             -0.0637540        
 11      3.3934140             -0.4185660        
 12      1.6487660             -0.5678650        
 13      0.7762820              0.8754060        
 14      0.2980030              0.7182630        
 15      0.1136180             -0.8747220        
P   1
  1      0.0416240              1.0000000        
P   1
  1      7.6909000              1.0000000        
P   1
  1      1.7617000              1.0000000        
P   1
  1      0.0152500              1.0000000        
D   7
  1    126.2640000              0.0035100        
  2     37.5226000              0.0258840        
  3     13.8021000              0.1000580        
  4      5.6092700              0.2405470        
  5      2.3336900              0.3568430        
  6      0.9364150              0.3595790        
  7      0.3482370              0.2366290        
D   7
  1    126.2640000             -0.0040670        
  2     37.5226000             -0.0300530        
  3     13.8021000             -0.1196200        
  4      5.6092700             -0.2915130        
  5      2.3336900             -0.3180480        
  6      0.9364150              0.0916980        
  7      0.3482370              0.5608230        
D   7
  1    126.2640000              0.0054700        
  2     37.5226000              0.0408130        
  3     13.8021000              0.1689780        
  4      5.6092700              0.4093590        
  5      2.3336900              0.0863160        
  6      0.9364150             -0.7690080        
  7      0.3482370              0.0033550        
D   1
  1      0.1123530              1.0000000        
D   1
  1      5.1278000              1.0000000        
D   1
  1      2.4094000              1.0000000        
D   1
  1      0.0362500              1.0000000        
F   1
  1      6.9610000              1.0000000        
F   1
  1      2.6489000              1.0000000        
F   1
  1      0.9309000              1.0000000        
F   1
  1      0.3271500              1.0000000        
G   1
  1      6.3721000              1.0000000        
G   1
  1      2.4709000              1.0000000        
G   1
  1      0.9581400              1.0000000


name: aug-cc-pwCVTZ-NR
description: VTZ2P All-electron non-relativistic Core-Valence Triple Zeta + Polarization
elt: Ni
data:
NICKEL
S   19
  1 5045991.0000000             8.208996E-06     
  2 755614.2000000              6.382884E-05     
  3 171956.8000000              0.00033558       
  4  48704.7900000              0.001415075      
  5  15888.4100000              0.005124444      
  6   5735.1230000              0.01643256       
  7   2236.1370000              0.04689398       
  8    926.6468000              0.1163534        
  9    403.1743000              0.2350511        
 10    182.3476000              0.3350184        
 11     84.5488500              0.2534779        
 12     38.3963400              0.07300901       
 13     18.4585900              0.06184244       
 14      8.8635480              0.06302956       
 15      3.9162270              0.01008063       
 16      1.8388700             -0.0002244528     
 17      0.8043620             -5.932767E-05     
 18      0.1697970             -1.158562E-05     
 19      0.0793060              8.115109E-06     
S   19
  1 5045991.0000000            -3.657849E-06     
  2 755614.2000000             -2.844094E-05     
  3 171956.8000000             -0.0001495928     
  4  48704.7900000             -0.0006313009     
  5  15888.4100000             -0.002293052      
  6   5735.1230000             -0.007405123      
  7   2236.1370000             -0.02152032       
  8    926.6468000             -0.05560974       
  9    403.1743000             -0.1230176        
 10    182.3476000             -0.2130104        
 11     84.5488500             -0.2265837        
 12     38.3963400              0.03546796       
 13     18.4585900              0.5181697        
 14      8.8635480              0.5025630        
 15      3.9162270              0.08955674       
 16      1.8388700             -0.007031311      
 17      0.8043620             -0.0004339167     
 18      0.1697970             -0.0005831711     
 19      0.0793060              0.0004228788     
S   19
  1 5045991.0000000             9.594149E-07     
  2 755614.2000000              7.462614E-06     
  3 171956.8000000              3.923843E-05     
  4  48704.7900000              0.0001657868     
  5  15888.4100000              0.0006025905     
  6   5735.1230000              0.001955662      
  7   2236.1370000              0.005730391      
  8    926.6468000              0.01514756       
  9    403.1743000              0.03493499       
 10    182.3476000              0.06598072       
 11     84.5488500              0.07893083       
 12     38.3963400             -0.01906249       
 13     18.4585900             -0.3095921        
 14      8.8635480             -0.4558610        
 15      3.9162270              0.1482931        
 16      1.8388700              0.7134039        
 17      0.8043620              0.3976063        
 18      0.1697970              0.02295523       
 19      0.0793060             -0.009151758      
S   19
  1 5045991.0000000            -2.013753E-07     
  2 755614.2000000             -1.565832E-06     
  3 171956.8000000             -8.237182E-06     
  4  48704.7900000             -3.478105E-05     
  5  15888.4100000             -0.0001265265     
  6   5735.1230000             -0.0004102589     
  7   2236.1370000             -0.001203834      
  8    926.6468000             -0.003179062      
  9    403.1743000             -0.007353828      
 10    182.3476000             -0.01389022       
 11     84.5488500             -0.01677875       
 12     38.3963400              0.004163378      
 13     18.4585900              0.06814703       
 14      8.8635480              0.1061029        
 15      3.9162270             -0.0433998        
 16      1.8388700             -0.2094950        
 17      0.8043620             -0.2310271        
 18      0.1697970              0.2590532        
 19      0.0793060              0.5691426        
S   19
  1 5045991.0000000            -3.924245E-07     
  2 755614.2000000             -3.113909E-06     
  3 171956.8000000             -1.590447E-05     
  4  48704.7900000             -6.981394E-05     
  5  15888.4100000             -0.0002417848     
  6   5735.1230000             -0.0008326195     
  7   2236.1370000             -0.002270294      
  8    926.6468000             -0.006557427      
  9    403.1743000             -0.01354288       
 10    182.3476000             -0.02989768       
 11     84.5488500             -0.02693106       
 12     38.3963400             -0.007827693      
 13     18.4585900              0.1741667        
 14      8.8635480              0.1595468        
 15      3.9162270              0.0199555        
 16      1.8388700             -0.8897000        
 17      0.8043620              0.2486892        
 18      0.1697970              1.6130120        
 19      0.0793060             -0.5990277        
S   19
  1 5045991.0000000            -7.303633E-07     
  2 755614.2000000             -5.802013E-06     
  3 171956.8000000             -2.958547E-05     
  4  48704.7900000             -0.0001301499     
  5  15888.4100000             -0.0004495332     
  6   5735.1230000             -0.001553314      
  7   2236.1370000             -0.004219884      
  8    926.6468000             -0.01225419       
  9    403.1743000             -0.02519707       
 10    182.3476000             -0.05621717       
 11     84.5488500             -0.05022229       
 12     38.3963400             -0.01677412       
 13     18.4585900              0.3388021        
 14      8.8635480              0.3984975        
 15      3.9162270             -0.3032053        
 16      1.8388700             -2.0796190        
 17      0.8043620              2.5005420        
 18      0.1697970             -0.2169002        
 19      0.0793060             -1.7091780        
S   1
  1      0.0346770              1.0000000        
S   1
  1      5.7408000              1.0000000        
S   1
  1      1.5172000              1.0000000        
S   1
  1      0.0151600              1.0000000        
P   15
  1  21027.9200000              0.0000410        
  2   4977.5600000              0.0003630        
  3   1616.7400000              0.0020970        
  4    618.6718000              0.0092500        
  5    262.5183000              0.0327960        
  6    119.6907000              0.0940040        
  7     57.4658500              0.2082800        
  8     28.5282900              0.3336540        
  9     14.5214800              0.3329040        
 10      7.4538500              0.1553720        
 11      3.7235530              0.0208590        
 12      1.8098130             -0.0024400        
 13      0.8513360             -0.0019980        
 14      0.3248140             -0.0003380        
 15      0.1195220              0.0000350        
P   15
  1  21027.9200000             -0.0000150        
  2   4977.5600000             -0.0001290        
  3   1616.7400000             -0.0007490        
  4    618.6718000             -0.0033280        
  5    262.5183000             -0.0119470        
  6    119.6907000             -0.0352420        
  7     57.4658500             -0.0812040        
  8     28.5282900             -0.1374930        
  9     14.5214800             -0.1392260        
 10      7.4538500              0.0360160        
 11      3.7235530              0.3391280        
 12      1.8098130              0.4504720        
 13      0.8513360              0.2817830        
 14      0.3248140              0.0478980        
 15      0.1195220             -0.0029870        
P   15
  1  21027.9200000              0.0000030        
  2   4977.5600000              0.0000260        
  3   1616.7400000              0.0001520        
  4    618.6718000              0.0006780        
  5    262.5183000              0.0024270        
  6    119.6907000              0.0072010        
  7     57.4658500              0.0165780        
  8     28.5282900              0.0283920        
  9     14.5214800              0.0285990        
 10      7.4538500             -0.0101320        
 11      3.7235530             -0.0829120        
 12      1.8098130             -0.1159980        
 13      0.8513360             -0.0727950        
 14      0.3248140              0.1956400        
 15      0.1195220              0.5670990        
P   15
  1  21027.9200000              0.0000060        
  2   4977.5600000              0.0000530        
  3   1616.7400000              0.0003050        
  4    618.6718000              0.0013640        
  5    262.5183000              0.0048760        
  6    119.6907000              0.0145030        
  7     57.4658500              0.0332960        
  8     28.5282900              0.0574820        
  9     14.5214800              0.0587020        
 10      7.4538500             -0.0199040        
 11      3.7235530             -0.1946950        
 12      1.8098130             -0.2396130        
 13      0.8513360             -0.0022320        
 14      0.3248140              0.5214350        
 15      0.1195220              0.5455400        
P   15
  1  21027.9200000              0.0000110        
  2   4977.5600000              0.0000950        
  3   1616.7400000              0.0005800        
  4    618.6718000              0.0024510        
  5    262.5183000              0.0092820        
  6    119.6907000              0.0260090        
  7     57.4658500              0.0640960        
  8     28.5282900              0.1007100        
  9     14.5214800              0.1325390        
 10      7.4538500             -0.0650890        
 11      3.7235530             -0.4897560        
 12      1.8098130             -0.4984550        
 13      0.8513360              0.9663570        
 14      0.3248140              0.5283790        
 15      0.1195220             -0.8676760        
P   1
  1      0.0423660              1.0000000        
P   1
  1      8.6879000              1.0000000        
P   1
  1      2.0080000              1.0000000        
P   1
  1      0.0150200              1.0000000        
D   7
  1    140.2527000              0.0033760        
  2     41.7261000              0.0251410        
  3     15.3981000              0.0977460        
  4      6.2771000              0.2347090        
  5      2.6185000              0.3469450        
  6      1.0526000              0.3510680        
  7      0.3916000              0.2502550        
D   7
  1    140.2527000             -0.0034950        
  2     41.7261000             -0.0260150        
  3     15.3981000             -0.1038760        
  4      6.2771000             -0.2520700        
  5      2.6185000             -0.2945800        
  6      1.0526000              0.0011520        
  7      0.3916000              0.4385890        
D   7
  1    140.2527000              0.0050520        
  2     41.7261000              0.0380870        
  3     15.3981000              0.1561130        
  4      6.2771000              0.3861560        
  5      2.6185000              0.1756050        
  6      1.0526000             -0.6268070        
  7      0.3916000             -0.3427750        
D   1
  1      0.1262000              1.0000000        
D   1
  1      5.7882000              1.0000000        
D   1
  1      2.7127000              1.0000000        
D   1
  1      0.0406700              1.0000000        
F   1
  1      8.0748000              1.0000000        
F   1
  1      3.1196000              1.0000000        
F   1
  1      1.1286000              1.0000000        
F   1
  1      0.4083000              1.0000000        
G   1
  1      7.3562000              1.0000000        
G   1
  1      2.9771000              1.0000000        
G   1
  1      1.2048500              1.0000000


name: aug-cc-pwCVTZ-NR
description: VTZ2P All-electron non-relativistic Core-Valence Triple Zeta + Polarization
elt: Cu
data:
COPPER
S   19
  1 5430321.0000000             7.801026E-06     
  2 813166.5000000              6.065666E-05     
  3 185054.4000000              0.0003188964     
  4  52414.6600000              0.001344687      
  5  17098.6800000              0.00486905       
  6   6171.9940000              0.01561013       
  7   2406.4810000              0.04452077       
  8    997.2584000              0.1103111        
  9    433.9289000              0.2220342        
 10    196.2869000              0.3133739        
 11     91.0428000              0.2315121        
 12     41.3842500              0.0764092        
 13     19.9327800              0.1103818        
 14      9.5818910              0.1094372        
 15      4.2345160              0.01836311       
 16      1.9858140             -0.0006043084     
 17      0.8670830              5.092245E-05     
 18      0.1813390             -5.54073E-05      
 19      0.0836570              3.969482E-05     
S   19
  1 5430321.0000000            -4.404706E-06     
  2 813166.5000000             -3.424801E-05     
  3 185054.4000000             -0.0001801238     
  4  52414.6600000             -0.0007600455     
  5  17098.6800000             -0.002759348      
  6   6171.9940000             -0.00890097       
  7   2406.4810000             -0.02579378       
  8    997.2584000             -0.06623861       
  9    433.9289000             -0.1445927        
 10    196.2869000             -0.2440110        
 11     91.0428000             -0.2504837        
 12     41.3842500              0.02852577       
 13     19.9327800              0.5115874        
 14      9.5818910              0.4928061        
 15      4.2345160              0.08788437       
 16      1.9858140             -0.005820281      
 17      0.8670830              0.0002013508     
 18      0.1813390             -0.0005182553     
 19      0.0836570              0.0003731503     
S   19
  1 5430321.0000000             9.704682E-07     
  2 813166.5000000              7.549245E-06     
  3 185054.4000000              3.968892E-05     
  4  52414.6600000              0.00016772       
  5  17098.6800000              0.0006095101     
  6   6171.9940000              0.001978846      
  7   2406.4810000              0.005798049      
  8    997.2584000              0.01534158       
  9    433.9289000              0.03540484       
 10    196.2869000              0.06702098       
 11     91.0428000              0.08026945       
 12     41.3842500             -0.01927231       
 13     19.9327800             -0.3160129        
 14      9.5818910             -0.4573162        
 15      4.2345160              0.1550841        
 16      1.9858140              0.7202872        
 17      0.8670830              0.3885122        
 18      0.1813390              0.01924326       
 19      0.0836570             -0.007103807      
S   19
  1 5430321.0000000            -1.959354E-07     
  2 813166.5000000             -1.523472E-06     
  3 185054.4000000             -8.014808E-06     
  4  52414.6600000             -3.383992E-05     
  5  17098.6800000             -0.0001231191     
  6   6171.9940000             -0.0003992085     
  7   2406.4810000             -0.0011719        
  8    997.2584000             -0.003096141      
  9    433.9289000             -0.007171993      
 10    196.2869000             -0.01356621       
 11     91.0428000             -0.01643989       
 12     41.3842500              0.004107628      
 13     19.9327800              0.06693964       
 14      9.5818910              0.1028221        
 15      4.2345160             -0.04422945       
 16      1.9858140             -0.2031191        
 17      0.8670830             -0.2230022        
 18      0.1813390              0.2517975        
 19      0.0836570              0.5650091        
S   19
  1 5430321.0000000            -3.532229E-07     
  2 813166.5000000             -2.798812E-06     
  3 185054.4000000             -1.432517E-05     
  4  52414.6600000             -6.270946E-05     
  5  17098.6800000             -0.000217949      
  6   6171.9940000             -0.0007474316     
  7   2406.4810000             -0.002049271      
  8    997.2584000             -0.005885203      
  9    433.9289000             -0.01226885       
 10    196.2869000             -0.02683147       
 11     91.0428000             -0.02479261       
 12     41.3842500             -0.005984746      
 13     19.9327800              0.1557124        
 14      9.5818910              0.1436683        
 15      4.2345160              0.008374103      
 16      1.9858140             -0.7460711        
 17      0.8670830              0.1244367        
 18      0.1813390              1.5101100        
 19      0.0836570             -0.3477122        
S   19
  1 5430321.0000000            -7.508267E-07     
  2 813166.5000000             -5.972018E-06     
  3 185054.4000000             -3.039682E-05     
  4  52414.6600000             -0.0001340405     
  5  17098.6800000             -0.0004615778     
  6   6171.9940000             -0.001601064      
  7   2406.4810000             -0.004330942      
  8    997.2584000             -0.01265434       
  9    433.9289000             -0.02586864       
 10    196.2869000             -0.05835428       
 11     91.0428000             -0.05132322       
 12     41.3842500             -0.01908953       
 13     19.9327800              0.3586116        
 14      9.5818910              0.3885818        
 15      4.2345160             -0.3057106        
 16      1.9858140             -2.0698960        
 17      0.8670830              2.4317740        
 18      0.1813390             -0.02121974       
 19      0.0836570             -1.8202510        
S   1
  1      0.0362670              1.0000000        
S   1
  1      6.3233000              1.0000000        
S   1
  1      1.6459000              1.0000000        
S   1
  1      0.0157200              1.0000000        
P   15
  1  22760.5700000              0.0000400        
  2   5387.6790000              0.0003610        
  3   1749.9450000              0.0020830        
  4    669.6653000              0.0091970        
  5    284.1948000              0.0326600        
  6    129.6077000              0.0937950        
  7     62.2541500              0.2082740        
  8     30.9296400              0.3339930        
  9     15.7582700              0.3324930        
 10      8.0942110              0.1547280        
 11      4.0469210              0.0212710        
 12      1.9678690             -0.0016900        
 13      0.9252950             -0.0015160        
 14      0.3529920             -0.0002420        
 15      0.1273070              0.0000230        
P   15
  1  22760.5700000             -0.0000150        
  2   5387.6790000             -0.0001310        
  3   1749.9450000             -0.0007550        
  4    669.6653000             -0.0033590        
  5    284.1948000             -0.0120810        
  6    129.6077000             -0.0357030        
  7     62.2541500             -0.0825020        
  8     30.9296400             -0.1398900        
  9     15.7582700             -0.1407290        
 10      8.0942110              0.0387660        
 11      4.0469210              0.3426950        
 12      1.9678690              0.4523100        
 13      0.9252950              0.2770540        
 14      0.3529920              0.0438850        
 15      0.1273070             -0.0028020        
P   15
  1  22760.5700000              0.0000030        
  2   5387.6790000              0.0000250        
  3   1749.9450000              0.0001470        
  4    669.6653000              0.0006560        
  5    284.1948000              0.0023510        
  6    129.6077000              0.0070040        
  7     62.2541500              0.0161310        
  8     30.9296400              0.0277700        
  9     15.7582700              0.0275670        
 10      8.0942110             -0.0101150        
 11      4.0469210             -0.0810090        
 12      1.9678690             -0.1104090        
 13      0.9252950             -0.0717320        
 14      0.3529920              0.1879300        
 15      0.1273070              0.5646290        
P   15
  1  22760.5700000              0.0000050        
  2   5387.6790000              0.0000490        
  3   1749.9450000              0.0002780        
  4    669.6653000              0.0012530        
  5    284.1948000              0.0044470        
  6    129.6077000              0.0133700        
  7     62.2541500              0.0304690        
  8     30.9296400              0.0534470        
  9     15.7582700              0.0526390        
 10      8.0942110             -0.0168810        
 11      4.0469210             -0.1794480        
 12      1.9678690             -0.2095880        
 13      0.9252950             -0.0396330        
 14      0.3529920              0.5021300        
 15      0.1273070              0.5811110        
P   15
  1  22760.5700000              0.0000110        
  2   5387.6790000              0.0000960        
  3   1749.9450000              0.0005900        
  4    669.6653000              0.0024840        
  5    284.1948000              0.0094630        
  6    129.6077000              0.0264530        
  7     62.2541500              0.0656890        
  8     30.9296400              0.1027320        
  9     15.7582700              0.1370410        
 10      8.0942110             -0.0709610        
 11      4.0469210             -0.5047080        
 12      1.9678690             -0.4780560        
 13      0.9252950              0.9428920        
 14      0.3529920              0.5446990        
 15      0.1273070             -0.8327660        
P   1
  1      0.0443560              1.0000000        
P   1
  1      9.6845000              1.0000000        
P   1
  1      2.2065000              1.0000000        
P   1
  1      0.0154500              1.0000000        
D   7
  1    173.8970000              0.0027000        
  2     51.8869000              0.0209090        
  3     19.3419000              0.0844080        
  4      7.9757200              0.2139990        
  5      3.3982300              0.3359800        
  6      1.4093200              0.3573010        
  7      0.5488580              0.2645780        
D   7
  1    173.8970000             -0.0033630        
  2     51.8869000             -0.0260790        
  3     19.3419000             -0.1082310        
  4      7.9757200             -0.2822170        
  5      3.3982300             -0.3471900        
  6      1.4093200              0.0267110        
  7      0.5488580              0.4920470        
D   7
  1    173.8970000              0.0041330        
  2     51.8869000              0.0330850        
  3     19.3419000              0.1383360        
  4      7.9757200              0.3901660        
  5      3.3982300              0.1698420        
  6      1.4093200             -0.6830180        
  7      0.5488580             -0.2657970        
D   1
  1      0.1901990              1.0000000        
D   1
  1      6.9242000              1.0000000        
D   1
  1      3.3410000              1.0000000        
D   1
  1      0.0659100              1.0000000        
F   1
  1      9.2215000              1.0000000        
F   1
  1      3.5468000              1.0000000        
F   1
  1      1.2797000              1.0000000        
F   1
  1      0.4617200              1.0000000        
G   1
  1      8.3127000              1.0000000        
G   1
  1      3.4835000              1.0000000        
G   1
  1      1.4597900              1.0000000


name: aug-cc-pwCVTZ-NR
description: VTZ2P All-electron non-relativistic Core-Valence Triple Zeta + Polarization
elt: Zn
data:
ZINC
S   19
  1 5820021.0000000             8.549241E-06     
  2 871523.4000000              6.64741E-05      
  3 198335.0000000              0.0003494962     
  4  56176.3100000              0.001473832      
  5  18325.8200000              0.00533833       
  6   6614.9550000              0.01712708       
  7   2579.1990000              0.04894085       
  8   1068.8490000              0.1217934        
  9    465.1045000              0.2476589        
 10    210.4130000              0.3582431        
 11     97.6162900              0.2798174        
 12     44.3802000              0.06857491       
 13     21.4230800             -0.001311092      
 14     10.3089100              0.001914001      
 15      4.5536450             -0.000875922      
 16      2.1328210              0.0003740096     
 17      0.9296970             -0.0001401399     
 18      0.1921470              4.757132E-05     
 19      0.0875950             -3.642711E-05     
S   19
  1 5820021.0000000            -2.640069E-06     
  2 871523.4000000             -2.05272E-05      
  3 198335.0000000             -0.0001079859     
  4  56176.3100000             -0.0004558577     
  5  18325.8200000             -0.001657758      
  6   6614.9550000             -0.005368492      
  7   2579.1990000             -0.01571249       
  8   1068.8490000             -0.04122558       
  9    465.1045000             -0.09406459       
 10    210.4130000             -0.1719954        
 11     97.6162900             -0.1958523        
 12     44.3802000              0.04532907       
 13     21.4230800              0.5244442        
 14     10.3089100              0.5006142        
 15      4.5536450              0.08945527       
 16      2.1328210             -0.002146262      
 17      0.9296970              0.002112113      
 18      0.1921470             -0.000413398      
 19      0.0875950              0.0003209752     
S   19
  1 5820021.0000000             9.967103E-07     
  2 871523.4000000              7.754163E-06     
  3 198335.0000000              4.076019E-05     
  4  56176.3100000              0.0001722811     
  5  18325.8200000              0.000625937      
  6   6614.9550000              0.002032855      
  7   2579.1990000              0.005954646      
  8   1068.8490000              0.0157664        
  9    465.1045000              0.03637638       
 10    210.4130000              0.06892343       
 11     97.6162900              0.08238093       
 12     44.3802000             -0.0201136        
 13     21.4230800             -0.3252526        
 14     10.3089100             -0.4602899        
 15      4.5536450              0.1635546        
 16      2.1328210              0.7297118        
 17      0.9296970              0.3769751        
 18      0.1921470              0.01433224       
 19      0.0875950             -0.00667121       
S   19
  1 5820021.0000000             1.995818E-07     
  2 871523.4000000              1.552973E-06     
  3 198335.0000000              8.161259E-06     
  4  56176.3100000              3.450747E-05     
  5  18325.8200000              0.0001253275     
  6   6614.9550000              0.000407299      
  7   2579.1990000              0.001192734      
  8   1068.8490000              0.00316314       
  9    465.1045000              0.007303942      
 10    210.4130000              0.01391279       
 11     97.6162900              0.0167062        
 12     44.3802000             -0.004035586      
 13     21.4230800             -0.06968861       
 14     10.3089100             -0.1030105        
 15      4.5536450              0.04471442       
 16      2.1328210              0.2150027        
 17      0.9296970              0.2220163        
 18      0.1921470             -0.3114776        
 19      0.0875950             -0.5693429        
S   19
  1 5820021.0000000            -5.43591E-07      
  2 871523.4000000             -4.336894E-06     
  3 198335.0000000             -2.197572E-05     
  4  56176.3100000             -9.747392E-05     
  5  18325.8200000             -0.0003331615     
  6   6614.9550000             -0.001166192      
  7   2579.1990000             -0.003119308      
  8   1068.8490000             -0.009239504      
  9    465.1045000             -0.01855471       
 10    210.4130000             -0.04281189       
 11     97.6162900             -0.03571095       
 12     44.3802000             -0.0163835        
 13     21.4230800              0.2644664        
 14     10.3089100              0.2086588        
 15      4.5536450             -0.01774382       
 16      2.1328210             -1.3538730        
 17      0.9296970              0.8182926        
 18      0.1921470              1.6950360        
 19      0.0875950             -1.3886560        
S   19
  1 5820021.0000000             8.040791E-07     
  2 871523.4000000              6.282936E-06     
  3 198335.0000000              3.281868E-05     
  4  56176.3100000              0.0001398858     
  5  18325.8200000              0.0005029836     
  6   6614.9550000              0.001655419      
  7   2579.1990000              0.004778677      
  8   1068.8490000              0.01292479       
  9    465.1045000              0.02925831       
 10    210.4130000              0.05791816       
 11     97.6162900              0.06640681       
 12     44.3802000             -0.007388966      
 13     21.4230800             -0.3329989        
 14     10.3089100             -0.5917865        
 15      4.5536450              0.9011406        
 16      2.1328210              1.5859510        
 17      0.9296970             -2.7880080        
 18      0.1921470              2.0718840        
 19      0.0875950             -0.6012025        
S   1
  1      0.0377020              1.0000000        
S   1
  1      7.0381000              1.0000000        
S   1
  1      1.8099000              1.0000000        
S   1
  1      0.0162300              1.0000000        
P   15
  1  24411.9800000              0.0000410        
  2   5778.5180000              0.0003610        
  3   1876.8620000              0.0020880        
  4    718.2361000              0.0092210        
  5    304.8327000              0.0327730        
  6    139.0453000              0.0941790        
  7     66.8041700              0.2091320        
  8     33.2069900              0.3345690        
  9     16.9281600              0.3303590        
 10      8.6962290              0.1523470        
 11      4.3505100              0.0229840        
 12      2.1165230              0.0016070        
 13      0.9953870              0.0004680        
 14      0.3781120              0.0000660        
 15      0.1345790             -0.0000020        
P   15
  1  24411.9800000             -0.0000150        
  2   5778.5180000             -0.0001350        
  3   1876.8620000             -0.0007820        
  4    718.2361000             -0.0034780        
  5    304.8327000             -0.0125200        
  6    139.0453000             -0.0370160        
  7     66.8041700             -0.0855590        
  8     33.2069900             -0.1447180        
  9     16.9281600             -0.1434420        
 10      8.6962290              0.0435950        
 11      4.3505100              0.3488880        
 12      2.1165230              0.4538650        
 13      0.9953870              0.2685940        
 14      0.3781120              0.0388680        
 15      0.1345790             -0.0024920        
P   15
  1  24411.9800000              0.0000030        
  2   5778.5180000              0.0000250        
  3   1876.8620000              0.0001440        
  4    718.2361000              0.0006450        
  5    304.8327000              0.0023110        
  6    139.0453000              0.0068980        
  7     66.8041700              0.0158820        
  8     33.2069900              0.0273500        
  9     16.9281600              0.0266210        
 10      8.6962290             -0.0108580        
 11      4.3505100             -0.0798530        
 12      2.1165230             -0.1061270        
 13      0.9953870             -0.0688830        
 14      0.3781120              0.1843850        
 15      0.1345790              0.5617880        
P   15
  1  24411.9800000              0.0000050        
  2   5778.5180000              0.0000420        
  3   1876.8620000              0.0002380        
  4    718.2361000              0.0010880        
  5    304.8327000              0.0038210        
  6    139.0453000              0.0116440        
  7     66.8041700              0.0261670        
  8     33.2069900              0.0467500        
  9     16.9281600              0.0433090        
 10      8.6962290             -0.0134290        
 11      4.3505100             -0.1538970        
 12      2.1165230             -0.1674130        
 13      0.9953870             -0.0849950        
 14      0.3781120              0.4508130        
 15      0.1345790              0.6408690        
P   15
  1  24411.9800000              0.0000120        
  2   5778.5180000              0.0000960        
  3   1876.8620000              0.0005940        
  4    718.2361000              0.0024840        
  5    304.8327000              0.0095370        
  6    139.0453000              0.0264790        
  7     66.8041700              0.0663660        
  8     33.2069900              0.1024580        
  9     16.9281600              0.1386830        
 10      8.6962290             -0.0801400        
 11      4.3505100             -0.4960690        
 12      2.1165230             -0.4635100        
 13      0.9953870              0.8745310        
 14      0.3781120              0.6297900        
 15      0.1345790             -0.8116860        
P   1
  1      0.0462820              1.0000000        
P   1
  1     10.1501000              1.0000000        
P   1
  1      2.3451000              1.0000000        
P   1
  1      0.0159200              1.0000000        
D   7
  1    205.6177000              0.0023420        
  2     61.4498100              0.0186060        
  3     23.0568900              0.0771020        
  4      9.5777390              0.2020260        
  5      4.1337340              0.3294540        
  6      1.7475180              0.3609760        
  7      0.6995600              0.2716570        
D   7
  1    205.6177000              0.0032790        
  2     61.4498100              0.0261760        
  3     23.0568900              0.1113670        
  4      9.5777390              0.3045810        
  5      4.1337340              0.3862990        
  6      1.7475180             -0.0583750        
  7      0.6995600             -0.5388760        
D   7
  1    205.6177000              0.0037400        
  2     61.4498100              0.0318250        
  3     23.0568900              0.1322290        
  4      9.5777390              0.4245500        
  5      4.1337340              0.1203700        
  6      1.7475180             -0.7626610        
  7      0.6995600             -0.1128230        
D   1
  1      0.2516080              1.0000000        
D   1
  1      7.7440000              1.0000000        
D   1
  1      3.9663000              1.0000000        
D   1
  1      0.0904900              1.0000000        
F   1
  1     10.3270000              1.0000000        
F   1
  1      4.0202000              1.0000000        
F   1
  1      1.4851000              1.0000000        
F   1
  1      0.5486100              1.0000000        
G   1
  1      9.2538000              1.0000000        
G   1
  1      4.1144000              1.0000000        
G   1
  1      1.8293300              1.0000000


name: aug-cc-pwCVTZ-PP_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pwCVTZ-PP orbital basis sets
elt: Cu
data:
COPPER
S   1
  1     15.7721900              1.0000000        
S   1
  1     10.5744700              1.0000000        
S   1
  1      1.7545010              1.0000000        
S   1
  1      0.9524060              1.0000000        
S   1
  1      0.3594860              1.0000000        
P   1
  1     24.6157200              1.0000000        
P   1
  1      4.8475730              1.0000000        
P   1
  1      1.4537210              1.0000000        
P   1
  1      0.2864400              1.0000000        
D   1
  1     19.2536200              1.0000000        
D   1
  1     10.6972500              1.0000000        
D   1
  1      1.1746550              1.0000000        
D   1
  1      0.4592230              1.0000000        
F   1
  1     24.8735200              1.0000000        
F   1
  1      6.3131100              1.0000000        
F   1
  1      2.3279850              1.0000000        
F   1
  1      0.6824370              1.0000000        
G   1
  1     19.5433400              1.0000000        
G   1
  1      5.2316340              1.0000000        
G   1
  1      2.1983820              1.0000000        
G   1
  1      0.6200380              1.0000000        
H   1
  1     15.8827700              1.0000000        
H   1
  1      6.7627560              1.0000000        
H   1
  1      2.8311860              1.0000000        
H   1
  1      1.1309880              1.0000000        
I   1
  1      5.4682390              1.0000000


name: aug-cc-pwCVTZ-PP_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pwCVTZ-PP orbital basis sets
elt: Zn
data:
ZINC
S   1
  1     18.0156600              1.0000000        
S   1
  1     12.0880700              1.0000000        
S   1
  1      1.9284740              1.0000000        
S   1
  1      1.0441780              1.0000000        
S   1
  1      0.4211660              1.0000000        
P   1
  1     56.6060600              1.0000000        
P   1
  1     14.6815800              1.0000000        
P   1
  1      5.2228110              1.0000000        
P   1
  1      1.1160830              1.0000000        
D   1
  1     23.7157300              1.0000000        
D   1
  1     11.3172500              1.0000000        
D   1
  1      2.6941890              1.0000000        
D   1
  1      0.6540230              1.0000000        
F   1
  1     28.0835100              1.0000000        
F   1
  1      6.8864040              1.0000000        
F   1
  1      2.7286650              1.0000000        
F   1
  1      0.8123200              1.0000000        
G   1
  1     23.8968200              1.0000000        
G   1
  1      6.4981750              1.0000000        
G   1
  1      2.5669490              1.0000000        
G   1
  1      0.7415720              1.0000000        
H   1
  1     20.7236100              1.0000000        
H   1
  1      8.2648140              1.0000000        
H   1
  1      3.6335050              1.0000000        
H   1
  1      1.4885070              1.0000000        
I   1
  1      6.4232100              1.0000000


name: aug-cc-pwCVTZ-PP_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pwCVTZ-PP orbital basis sets
elt: Ag
data:
SILVER
S   1
  1     12.9880100              1.0000000        
S   1
  1      8.6662790              1.0000000        
S   1
  1      5.7638620              1.0000000        
S   1
  1      0.9330580              1.0000000        
S   1
  1      0.4387890              1.0000000        
P   1
  1     13.3073000              1.0000000        
P   1
  1      8.9584390              1.0000000        
P   1
  1      0.8365060              1.0000000        
P   1
  1      0.3466010              1.0000000        
D   1
  1     56.0864700              1.0000000        
D   1
  1     12.6350100              1.0000000        
D   1
  1      8.3996330              1.0000000        
D   1
  1      0.6887130              1.0000000        
F   1
  1     13.7948400              1.0000000        
F   1
  1      3.2825070              1.0000000        
F   1
  1      1.2613700              1.0000000        
F   1
  1      0.4625780              1.0000000        
G   1
  1     18.1892300              1.0000000        
G   1
  1     12.1284200              1.0000000        
G   1
  1      1.0602030              1.0000000        
G   1
  1      0.4485200              1.0000000        
H   1
  1      6.5612130              1.0000000        
H   1
  1      3.7654840              1.0000000        
H   1
  1      1.8351940              1.0000000        
H   1
  1      0.7682030              1.0000000        
I   1
  1      2.2677190              1.0000000


name: aug-cc-pwCVTZ-PP_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pwCVTZ-PP orbital basis sets
elt: Cd
data:
CADMIUM
S   1
  1     14.0033000              1.0000000        
S   1
  1      9.3781600              1.0000000        
S   1
  1      6.2810640              1.0000000        
S   1
  1      0.9230580              1.0000000        
S   1
  1      0.4476570              1.0000000        
P   1
  1     14.1936900              1.0000000        
P   1
  1      9.6352000              1.0000000        
P   1
  1      0.8908050              1.0000000        
P   1
  1      0.3519550              1.0000000        
D   1
  1     53.1135200              1.0000000        
D   1
  1     14.6220100              1.0000000        
D   1
  1      8.5679360              1.0000000        
D   1
  1      0.7707920              1.0000000        
F   1
  1     13.8724400              1.0000000        
F   1
  1      3.7466910              1.0000000        
F   1
  1      1.4295000              1.0000000        
F   1
  1      0.5672760              1.0000000        
G   1
  1      9.0379910              1.0000000        
G   1
  1      6.0128280              1.0000000        
G   1
  1      1.2249850              1.0000000        
G   1
  1      0.4278500              1.0000000        
H   1
  1      7.3591130              1.0000000        
H   1
  1      3.8335400              1.0000000        
H   1
  1      1.8353910              1.0000000        
H   1
  1      0.7685240              1.0000000        
I   1
  1      2.5584550              1.0000000


name: aug-cc-pwCVTZ-PP_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pwCVTZ-PP orbital basis sets
elt: Au
data:
GOLD
S   1
  1     15.8646600              1.0000000        
S   1
  1     10.5863500              1.0000000        
S   1
  1      7.0672090              1.0000000        
S   1
  1      2.9724350              1.0000000        
S   1
  1      0.8319210              1.0000000        
P   1
  1     11.7883500              1.0000000        
P   1
  1      8.0161500              1.0000000        
P   1
  1      0.7680020              1.0000000        
P   1
  1      0.1822350              1.0000000        
D   1
  1     11.5463000              1.0000000        
D   1
  1      7.7001940              1.0000000        
D   1
  1      0.5904350              1.0000000        
D   1
  1      0.2063210              1.0000000        
F   1
  1     11.7777200              1.0000000        
F   1
  1      7.8623580              1.0000000        
F   1
  1      0.8463010              1.0000000        
F   1
  1      0.3275290              1.0000000        
G   1
  1      6.0586110              1.0000000        
G   1
  1      4.0649930              1.0000000        
G   1
  1      0.8213260              1.0000000        
G   1
  1      0.3668080              1.0000000        
H   1
  1      5.1133800              1.0000000        
H   1
  1      3.4081930              1.0000000        
H   1
  1      1.6497500              1.0000000        
H   1
  1      0.7040980              1.0000000        
I   1
  1      1.7233740              1.0000000


name: aug-cc-pwCVTZ-PP_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pwCVTZ-PP orbital basis sets
elt: Hg
data:
MERCURY
S   1
  1     20.3403200              1.0000000        
S   1
  1     13.5899500              1.0000000        
S   1
  1      9.0798070              1.0000000        
S   1
  1      3.1756500              1.0000000        
S   1
  1      0.5272570              1.0000000        
P   1
  1     11.8058700              1.0000000        
P   1
  1      8.0785100              1.0000000        
P   1
  1      0.8019890              1.0000000        
P   1
  1      0.1913850              1.0000000        
D   1
  1     11.8098900              1.0000000        
D   1
  1      7.8919990              1.0000000        
D   1
  1      0.6721510              1.0000000        
D   1
  1      0.4037470              1.0000000        
F   1
  1     11.8055000              1.0000000        
F   1
  1      7.8959920              1.0000000        
F   1
  1      0.9150760              1.0000000        
F   1
  1      0.3634120              1.0000000        
G   1
  1      9.9730510              1.0000000        
G   1
  1      6.6487690              1.0000000        
G   1
  1      4.4367660              1.0000000        
G   1
  1      0.4200240              1.0000000        
H   1
  1      7.1550830              1.0000000        
H   1
  1      4.2724950              1.0000000        
H   1
  1      1.9604390              1.0000000        
H   1
  1      0.8778760              1.0000000        
I   1
  1      1.8817780              1.0000000


name: aug-mcc-pV5Z
description: V5Z4PD Valence Quintuple Zeta + Polarization + Diffuse
elt: H
data:
HYDROGEN
S   7
  1    188.6144420              0.0007180        
  2     28.2765960              0.0055540        
  3      6.4248300              0.0284260        
  4      1.8150410              0.1095230        
  5      0.5910630              0.3004470        
  6      0.2121490              0.4746680        
  7      0.0792910              0.2250270        
S   1
  1      1.4853000              1.0000000        
S   1
  1      0.5519000              1.0000000        
S   1
  1      0.2051000              1.0000000        
S   1
  1      0.0762000              1.0000000        
S   1
  1      0.0179000              1.0000000        
P   1
  1      4.9147000              1.0000000        
P   1
  1      1.8108000              1.0000000        
P   1
  1      0.6671000              1.0000000        
P   1
  1      0.2458000              1.0000000        
P   1
  1      0.0740000              1.0000000        
D   1
  1      2.9714000              1.0000000        
D   1
  1      1.1867000              1.0000000        
D   1
  1      0.4739000              1.0000000        
D   1
  1      0.1493000              1.0000000        
F   1
  1      2.4915000              1.0000000        
F   1
  1      0.8971000              1.0000000        
F   1
  1      0.2742000              1.0000000        
G   1
  1      2.2693000              1.0000000        
G   1
  1      0.5373000              1.0000000


name: aug-mcc-pV6Z
description: V6Z5P Valence Sextuple Zeta + Polarization + Diffuse
elt: H
data:
HYDROGEN
S   8
  1    402.0000000              0.0002790        
  2     60.2400000              0.0021650        
  3     13.7300000              0.0112010        
  4      3.9050000              0.0448780        
  5      1.2830000              0.1422990        
  6      0.4655000              0.3309790        
  7      0.1811000              0.4362690        
  8      0.0727900              0.1764400        
S   1
  1      2.6799000              1.0000000        
S   1
  1      1.0787000              1.0000000        
S   1
  1      0.4342000              1.0000000        
S   1
  1      0.1748000              1.0000000        
S   1
  1      0.0704000              1.0000000        
S   1
  1      0.0169000              1.0000000        
P   1
  1      8.4339000              1.0000000        
P   1
  1      3.3502000              1.0000000        
P   1
  1      1.3308000              1.0000000        
P   1
  1      0.5286000              1.0000000        
P   1
  1      0.2100000              1.0000000        
P   1
  1      0.0659000              1.0000000        
D   1
  1      4.3376000              1.0000000        
D   1
  1      1.9050000              1.0000000        
D   1
  1      0.8367000              1.0000000        
D   1
  1      0.3675000              1.0000000        
D   1
  1      0.1240000              1.0000000        
F   1
  1      3.8943000              1.0000000        
F   1
  1      1.7087000              1.0000000        
F   1
  1      0.7497000              1.0000000        
F   1
  1      0.2394000              1.0000000        
G   1
  1      3.6343000              1.0000000        
G   1
  1      1.5186000              1.0000000        
G   1
  1      0.4378000              1.0000000        
H   1
  1      2.2538000              1.0000000        
H   1
  1      0.6399000              1.0000000


name: aug-mcc-pV7Z
description: V7Z6P Valence Septuple Zeta + Polarization on All Atoms
elt: H
data:
HYDROGEN
S   9
  1    884.1687000              0.0001040        
  2    132.3019000              0.0008120        
  3     30.1010100              0.0042500        
  4      8.5215260              0.0176180        
  5      2.7773320              0.0606630        
  6      1.0009950              0.1701620        
  7      0.3889190              0.3496490        
  8      0.1595940              0.4028080        
  9      0.0668510              0.1386980        
S   1
  1      4.9682600              1.0000000        
S   1
  1      2.0843320              1.0000000        
S   1
  1      0.8744390              1.0000000        
S   1
  1      0.3668530              1.0000000        
S   1
  1      0.1539060              1.0000000        
S   1
  1      0.0645680              1.0000000        
S   1
  1      0.0159600              1.0000000        
P   1
  1     14.5535450              1.0000000        
P   1
  1      6.1201740              1.0000000        
P   1
  1      2.5737050              1.0000000        
P   1
  1      1.0823150              1.0000000        
P   1
  1      0.4551440              1.0000000        
P   1
  1      0.1914010              1.0000000        
P   1
  1      0.0617110              1.0000000        
D   1
  1      6.4699350              1.0000000        
D   1
  1      2.9747130              1.0000000        
D   1
  1      1.3676980              1.0000000        
D   1
  1      0.6288330              1.0000000        
D   1
  1      0.2891220              1.0000000        
D   1
  1      0.1031700              1.0000000        
F   1
  1      7.9238760              1.0000000        
F   1
  1      3.5502400              1.0000000        
F   1
  1      1.5906610              1.0000000        
F   1
  1      0.7126850              1.0000000        
F   1
  1      0.2320100              1.0000000        
G   1
  1      4.1644940              1.0000000        
G   1
  1      1.8436270              1.0000000        
G   1
  1      0.8161760              1.0000000        
G   1
  1      0.2955660              1.0000000        
H   1
  1      4.6702960              1.0000000        
H   1
  1      2.0470840              1.0000000        
H   1
  1      0.5944500              1.0000000        
I   1
  1      2.3260660              1.0000000        
I   1
  1      0.7313800              1.0000000


name: aug-mcc-pV8Z
description: V8Z7P Valence Octuple Zeta + Polarization on All Atoms
elt: H
data:
HYDROGEN
S   8
  1  13940.8000000              0.00000301       
  2   3471.4300000              0.00000544       
  3   1903.1800000              0.00001785       
  4    623.2860000              0.00007195       
  5    290.3600000              0.00012055       
  6    126.5850000              0.00052527       
  7     44.6955000              0.00201384       
  8     16.0038000              0.00687086       
S   1
  1      6.0805600              1.0000000        
S   1
  1      2.4762200              1.0000000        
S   1
  1      1.0757100              1.0000000        
S   1
  1      0.4896820              1.0000000        
S   1
  1      0.2297860              1.0000000        
S   1
  1      0.1099655              1.0000000        
S   1
  1      0.0523230              1.0000000        
S   1
  1      0.0137700              1.0000000        
P   1
  1     17.3691000              1.0000000        
P   1
  1      7.9252700              1.0000000        
P   1
  1      3.6161900              1.0000000        
P   1
  1      1.6500200              1.0000000        
P   1
  1      0.7528800              1.0000000        
P   1
  1      0.3435300              1.0000000        
P   1
  1      0.1567500              1.0000000        
P   1
  1      0.0528300              1.0000000        
D   1
  1      8.7070200              1.0000000        
D   1
  1      4.4505600              1.0000000        
D   1
  1      2.2748800              1.0000000        
D   1
  1      1.1628000              1.0000000        
D   1
  1      0.5943600              1.0000000        
D   1
  1      0.3038000              1.0000000        
D   1
  1      0.1044300              1.0000000        
F   1
  1     10.6097000              1.0000000        
F   1
  1      5.2422900              1.0000000        
F   1
  1      2.5902400              1.0000000        
F   1
  1      1.2798500              1.0000000        
F   1
  1      0.6323800              1.0000000        
F   1
  1      0.2108200              1.0000000        
G   1
  1      5.8235900              1.0000000        
G   1
  1      3.0535100              1.0000000        
G   1
  1      1.6010500              1.0000000        
G   1
  1      0.8394900              1.0000000        
G   1
  1      0.2933900              1.0000000        
H   1
  1      5.9887600              1.0000000        
H   1
  1      2.9543500              1.0000000        
H   1
  1      1.4574300              1.0000000        
H   1
  1      0.4894600              1.0000000        
I   1
  1      4.0598700              1.0000000        
I   1
  1      1.6950300              1.0000000        
I   1
  1      0.6178700              1.0000000        
K   1
  1      4.1600000              1.0000000        
K   1
  1      1.0170000              1.0000000


name: aug-mcc-pVQZ
description: VQZ3PD Valence Quadruple Zeta + Polarization + Diffuse
elt: H
data:
HYDROGEN
S   6
  1     82.6400000              0.0020060        
  2     12.4100000              0.0153430        
  3      2.8240000              0.0755790        
  4      0.7977000              0.2568750        
  5      0.2581000              0.4973680        
  6      0.0898900              0.2961330        
S   1
  1      0.7382000              1.0000000        
S   1
  1      0.2541000              1.0000000        
S   1
  1      0.0875000              1.0000000        
S   1
  1      0.0197000              1.0000000        
P   1
  1      2.6514000              1.0000000        
P   1
  1      0.8776000              1.0000000        
P   1
  1      0.2905000              1.0000000        
P   1
  1      0.0828000              1.0000000        
D   1
  1      2.0210000              1.0000000        
D   1
  1      0.6644000              1.0000000        
D   1
  1      0.1875000              1.0000000        
F   1
  1      1.4874000              1.0000000        
F   1
  1      0.3681000              1.0000000


name: aug-mcc-pVTZ
description: VTZ2PD Valence Triple Zeta + Polarization + Diffuse
elt: H
data:
HYDROGEN
S   5
  1     33.8700000              0.0060680        
  2      5.0950000              0.0453080        
  3      1.1590000              0.2028220        
  4      0.3258000              0.5039030        
  5      0.1027000              0.3834210        
S   1
  1      0.3162000              1.0000000        
S   1
  1      0.0993000              1.0000000        
S   1
  1      0.0211000              1.0000000        
P   1
  1      1.4138000              1.0000000        
P   1
  1      0.3892000              1.0000000        
P   1
  1      0.1009000              1.0000000        
D   1
  1      1.0494000              1.0000000        
D   1
  1      0.2475000              1.0000000


name: aug-pV7Z Diffuse
description: 1D Diffuse Functions
elt: C
data:
CARBON
S   1
  1      0.0321008              1.0000000        
P   1
  1      0.0194070              1.0000000        
D   1
  1      0.0621000              1.0000000        
F   1
  1      0.0976200              1.0000000        
G   1
  1      0.2202000              1.0000000        
H   1
  1      0.2216000              1.0000000        
I   1
  1      0.3389000              1.0000000        
K   1
  1      0.9780000              1.0000000


name: aug-pV7Z Diffuse
description: 1D Diffuse Functions
elt: N
data:
NITROGEN
S   1
  1      0.0190122              1.0000000        
P   1
  1      0.0269704              1.0000000        
D   1
  1      0.0753692              1.0000000        
F   1
  1      0.1202192              1.0000000        
G   1
  1      0.2456348              1.0000000        
H   1
  1      0.5163650              1.0000000        
I   1
  1      0.7900000              1.0000000        
K   1
  1      0.9770000              1.0000000


name: aug-pV7Z Diffuse
description: 1D Diffuse Functions
elt: O
data:
OXYGEN
S   1
  1      0.0554700              1.0000000        
P   1
  1      0.0286137              1.0000000        
D   1
  1      0.1039000              1.0000000        
F   1
  1      0.1726270              1.0000000        
G   1
  1      0.3457820              1.0000000        
H   1
  1      0.5816400              1.0000000        
I   1
  1      1.0390000              1.0000000        
K   1
  1      1.2320000              1.0000000


name: aug-pV7Z Diffuse
description: 1D Diffuse Functions
elt: F
data:
FLUORINE
S   1
  1      0.0700090              1.0000000        
P   1
  1      0.0345890              1.0000000        
D   1
  1      0.1339420              1.0000000        
F   1
  1      0.2542830              1.0000000        
G   1
  1      0.3958677              1.0000000        
H   1
  1      0.7805000              1.0000000        
I   1
  1      1.0800000              1.0000000        
K   1
  1      1.5970000              1.0000000


name: aug-pV7Z Diffuse
description: 1D Diffuse Functions
elt: S
data:
SULFUR
S   1
  1      0.0371790              1.0000000        
P   1
  1      0.0218120              1.0000000        
D   1
  1      0.0343800              1.0000000        
F   1
  1      0.0219300              1.0000000        
G   1
  1      0.1843800              1.0000000        
H   1
  1      0.3035400              1.0000000        
I   1
  1      0.4450000              1.0000000        
K   1
  1      0.7110000              1.0000000


name: aug-pV7Z
description: V7Z6P Valence Septuple Zeta + Polarization on All Atoms
elt: C
data:
CARBON
S   12
  1 949028.8000000              0.0000014        
  2 142083.0000000              0.0000110        
  3  32332.4700000              0.0000578        
  4   9158.1170000              0.0002444        
  5   2987.9090000              0.0008910        
  6   1078.7880000              0.0029040        
  7    420.8308000              0.0086310        
  8    174.6003000              0.0235290        
  9     76.1829200              0.0581610        
 10     34.6358800              0.1266240        
 11     16.2707600              0.2304650        
 12      7.8554790              0.3192970        
S   12
  1 949028.8000000             -0.0000003        
  2 142083.0000000             -0.0000023        
  3  32332.4700000             -0.0000123        
  4   9158.1170000             -0.0000520        
  5   2987.9090000             -0.0001900        
  6   1078.7880000             -0.0006200        
  7    420.8308000             -0.0018550        
  8    174.6003000             -0.0050920        
  9     76.1829200             -0.0129160        
 10     34.6358800             -0.0292300        
 11     16.2707600             -0.0584140        
 12      7.8554790             -0.0966550        
S   1
  1      3.8821720              1.0000000        
S   1
  1      1.9283340              1.0000000        
S   1
  1      0.8358060              1.0000000        
S   1
  1      0.3862910              1.0000000        
S   1
  1      0.1768600              1.0000000        
S   1
  1      0.0802520              1.0000000        
S   1
  1      0.0321008              1.0000000        
P   6
  1    765.4553000              0.0000272        
  2    180.8628000              0.0002410        
  3     58.7144100              0.0013570        
  4     22.4162500              0.0056200        
  5      9.4062140              0.0182670        
  6      4.1871980              0.0500190        
P   1
  1      1.9558760              1.0000000        
P   1
  1      0.9453360              1.0000000        
P   1
  1      0.4627630              1.0000000        
P   1
  1      0.2267960              1.0000000        
P   1
  1      0.1105920              1.0000000        
P   1
  1      0.0524000              1.0000000        
P   1
  1      0.0194070              1.0000000        
D   1
  1      8.0028000              1.0000000        
D   1
  1      3.6663000              1.0000000        
D   1
  1      1.6796000              1.0000000        
D   1
  1      0.7695000              1.0000000        
D   1
  1      0.3525000              1.0000000        
D   1
  1      0.1615000              1.0000000        
D   1
  1      0.0621000              1.0000000        
F   1
  1      3.5134000              1.0000000        
F   1
  1      1.8214000              1.0000000        
F   1
  1      0.9443000              1.0000000        
F   1
  1      0.4896000              1.0000000        
F   1
  1      0.2538000              1.0000000        
F   1
  1      0.0976200              1.0000000        
G   1
  1      3.0363000              1.0000000        
G   1
  1      1.6713000              1.0000000        
G   1
  1      0.9200000              1.0000000        
G   1
  1      0.5064000              1.0000000        
G   1
  1      0.2202000              1.0000000        
H   1
  1      1.8273000              1.0000000        
H   1
  1      0.8999000              1.0000000        
H   1
  1      0.4432000              1.0000000        
H   1
  1      0.2216000              1.0000000        
I   1
  1      3.2802000              1.0000000        
I   1
  1      0.6777000              1.0000000        
I   1
  1      0.3389000              1.0000000        
K   1
  1      1.9560000              1.0000000        
K   1
  1      0.9780000              1.0000000


name: aug-pV7Z
description: V7Z6P Valence Septuple Zeta + Polarization on All Atoms
elt: N
data:
NITROGEN
S   12
  1 1296296.0000000             0.0000014        
  2 194068.6000000              0.0000110        
  3  44160.5700000              0.0000580        
  4  12507.7200000              0.0002450        
  5   4080.4760000              0.0008930        
  6   1473.1400000              0.0029130        
  7    574.6066000              0.0086640        
  8    238.3700000              0.0236350        
  9    103.9936000              0.0585180        
 10     47.2794400              0.1277287        
 11     22.2187100              0.2328737        
 12     10.7356900              0.3211170        
S   12
  1 1296296.0000000            -0.00000031       
  2 194068.6000000             -0.00000243       
  3  44160.5700000             -0.00001279       
  4  12507.7200000             -0.00005399       
  5   4080.4760000             -0.00019730       
  6   1473.1400000             -0.00064320       
  7    574.6066000             -0.00192640       
  8    238.3700000             -0.00529480       
  9    103.9936000             -0.01345880       
 10     47.2794400             -0.03061290       
 11     22.2187100             -0.06151130       
 12     10.7356900             -0.10200550       
S   1
  1      5.3088560              1.0000000        
S   1
  1      2.6391770              1.0000000        
S   1
  1      1.1657640              1.0000000        
S   1
  1      0.5370910              1.0000000        
S   1
  1      0.2449040              1.0000000        
S   1
  1      0.1102710              1.0000000        
S   1
  1      0.0190122              1.0000000        
P   6
  1   1094.9600000              0.0000276        
  2    258.6611000              0.0002450        
  3     83.8525500              0.0013920        
  4     31.9622500              0.0058590        
  5     13.4112100              0.0194130        
  6      5.9854710              0.0535998        
P   1
  1      2.8036300              1.0000000        
P   1
  1      1.3557360              1.0000000        
P   1
  1      0.6623960              1.0000000        
P   1
  1      0.3229120              1.0000000        
P   1
  1      0.1559210              1.0000000        
P   1
  1      0.0728200              1.0000000        
P   1
  1      0.0269704              1.0000000        
D   1
  1      8.5914298              1.0000000        
D   1
  1      4.0335351              1.0000000        
D   1
  1      1.8936785              1.0000000        
D   1
  1      0.8890509              1.0000000        
D   1
  1      0.4173948              1.0000000        
D   1
  1      0.1959600              1.0000000        
D   1
  1      0.0753692              1.0000000        
F   1
  1      5.7389002              1.0000000        
F   1
  1      2.7724156              1.0000000        
F   1
  1      1.3393312              1.0000000        
F   1
  1      0.6470199              1.0000000        
F   1
  1      0.3125700              1.0000000        
F   1
  1      0.1202192              1.0000000        
G   1
  1      5.5368024              1.0000000        
G   1
  1      2.5872908              1.0000000        
G   1
  1      1.2090144              1.0000000        
G   1
  1      0.5649600              1.0000000        
G   1
  1      0.2456348              1.0000000        
H   1
  1      4.2181288              1.0000000        
H   1
  1      2.0871494              1.0000000        
H   1
  1      1.0327300              1.0000000        
H   1
  1      0.5163650              1.0000000        
I   1
  1      3.4500000              1.0000000        
I   1
  1      1.5800000              1.0000000        
I   1
  1      0.7900000              1.0000000        
K   1
  1      2.3790000              1.0000000        
K   1
  1      0.9770000              1.0000000


name: aug-pV7Z
description: V7Z6P Valence Septuple Zeta + Polarization on All Atoms
elt: O
data:
OXYGEN
S   12
  1 1678789.0000000             0.0000014        
  2 251388.2000000              0.0000112        
  3  57213.7300000              0.0000589        
  4  16207.4400000              0.0002490        
  5   5288.2760000              0.0009070        
  6   1909.4780000              0.0029570        
  7    744.9231000              0.0087910        
  8    309.0755000              0.0239800        
  9    134.8645000              0.0593810        
 10     61.3312900              0.1296500        
 11     28.8379600              0.2360640        
 12     13.9450400              0.3229210        
S   12
  1 1678789.0000000            -0.0000003        
  2 251388.2000000             -0.0000025        
  3  57213.7300000             -0.0000134        
  4  16207.4400000             -0.0000560        
  5   5288.2760000             -0.0002060        
  6   1909.4780000             -0.0006720        
  7    744.9231000             -0.0020130        
  8    309.0755000             -0.0055350        
  9    134.8645000             -0.0140790        
 10     61.3312900             -0.0321130        
 11     28.8379600             -0.0646760        
 12     13.9450400             -0.1071540        
S   1
  1      6.8990770              1.0000000        
S   1
  1      3.4315770              1.0000000        
S   1
  1      1.5398400              1.0000000        
S   1
  1      0.7097510              1.0000000        
S   1
  1      0.3230470              1.0000000        
S   1
  1      0.1442220              1.0000000        
S   1
  1      0.0554700              1.0000000        
P   6
  1   1349.0590000              0.0000323        
  2    319.4569000              0.0002860        
  3    103.7804000              0.0016160        
  4     39.6282100              0.0067850        
  5     16.6613700              0.0224990        
  6      7.4641660              0.0616740        
P   1
  1      3.5093250              1.0000000        
P   1
  1      1.6956800              1.0000000        
P   1
  1      0.8227420              1.0000000        
P   1
  1      0.3957330              1.0000000        
P   1
  1      0.1876440              1.0000000        
P   1
  1      0.0858410              1.0000000        
P   1
  1      0.0286137              1.0000000        
D   1
  1     10.0642930              1.0000000        
D   1
  1      4.8432594              1.0000000        
D   1
  1      2.3307312              1.0000000        
D   1
  1      1.1216223              1.0000000        
D   1
  1      0.5397605              1.0000000        
D   1
  1      0.2597500              1.0000000        
D   1
  1      0.1039000              1.0000000        
F   1
  1      6.9117087              1.0000000        
F   1
  1      3.4199449              1.0000000        
F   1
  1      1.6922043              1.0000000        
F   1
  1      0.8373104              1.0000000        
F   1
  1      0.4143050              1.0000000        
F   1
  1      0.1726270              1.0000000        
G   1
  1      7.2379949              1.0000000        
G   1
  1      3.4157598              1.0000000        
G   1
  1      1.6119678              1.0000000        
G   1
  1      0.7607210              1.0000000        
G   1
  1      0.3457820              1.0000000        
H   1
  1      5.7331092              1.0000000        
H   1
  1      2.5824816              1.0000000        
H   1
  1      1.1632800              1.0000000        
H   1
  1      0.5816400              1.0000000        
I   1
  1      4.8130000              1.0000000        
I   1
  1      2.0780000              1.0000000        
I   1
  1      1.0390000              1.0000000        
K   1
  1      3.1230000              1.0000000        
K   1
  1      1.2320000              1.0000000


name: aug-pV7Z
description: V7Z6P Valence Septuple Zeta + Polarization on All Atoms
elt: F
data:
FLUORINE
S   12
  1 2115112.0000000             0.0000015        
  2 316699.7000000              0.0000113        
  3  72075.7100000              0.0000595        
  4  20416.8300000              0.0002514        
  5   6661.4580000              0.0009160        
  6   2405.1880000              0.0029860        
  7    938.2595000              0.0088819        
  8    389.2710000              0.0242321        
  9    169.8499000              0.0600301        
 10     77.2436700              0.1311355        
 11     36.3287400              0.2385632        
 12     17.5738700              0.3243075        
S   12
  1 2115112.0000000            -0.00000034       
  2 316699.7000000             -0.00000262       
  3  72075.7100000             -0.00001378       
  4  20416.8300000             -0.00005817       
  5   6661.4580000             -0.00021242       
  6   2405.1880000             -0.00069281       
  7    938.2595000             -0.00207460       
  8    389.2710000             -0.00570974       
  9    169.8499000             -0.01453560       
 10     77.2436700             -0.03323500       
 11     36.3287400             -0.06706620       
 12     17.5738700             -0.11098400       
S   1
  1      8.6935300              1.0000000        
S   1
  1      4.3217690              1.0000000        
S   1
  1      1.9595200              1.0000000        
S   1
  1      0.9031850              1.0000000        
S   1
  1      0.4104050              1.0000000        
S   1
  1      0.1820240              1.0000000        
S   1
  1      0.0700090              1.0000000        
P   6
  1   1687.7180000              0.0000346        
  2    399.6517000              0.0003058        
  3    129.8267000              0.0017313        
  4     49.5782600              0.0072975        
  5     20.8619300              0.0243126        
  6      9.3655640              0.0664341        
P   1
  1      4.4099770              1.0000000        
P   1
  1      2.1283760              1.0000000        
P   1
  1      1.0282880              1.0000000        
P   1
  1      0.4907570              1.0000000        
P   1
  1      0.2300730              1.0000000        
P   1
  1      0.1037660              1.0000000        
P   1
  1      0.0345890              1.0000000        
D   1
  1     12.6344950              1.0000000        
D   1
  1      6.1124792              1.0000000        
D   1
  1      2.9571743              1.0000000        
D   1
  1      1.4306600              1.0000000        
D   1
  1      0.6921432              1.0000000        
D   1
  1      0.3348540              1.0000000        
D   1
  1      0.1339420              1.0000000        
F   1
  1     11.6443240              1.0000000        
F   1
  1      5.5714469              1.0000000        
F   1
  1      2.6657641              1.0000000        
F   1
  1      1.2754852              1.0000000        
F   1
  1      0.6102800              1.0000000        
F   1
  1      0.2542830              1.0000000        
G   1
  1      8.2863953              1.0000000        
G   1
  1      3.9105216              1.0000000        
G   1
  1      1.8454562              1.0000000        
G   1
  1      0.8709090              1.0000000        
G   1
  1      0.3958677              1.0000000        
H   1
  1      7.7626969              1.0000000        
H   1
  1      3.4810300              1.0000000        
H   1
  1      1.5610000              1.0000000        
H   1
  1      0.7805000              1.0000000        
I   1
  1      5.5300000              1.0000000        
I   1
  1      2.1600000              1.0000000        
I   1
  1      1.0800000              1.0000000        
K   1
  1      4.2560000              1.0000000        
K   1
  1      1.5970000              1.0000000


name: aug-pV7Z
description: V7Z6P Valence Septuple Zeta + Polarization on All Atoms
elt: S
data:
SULFUR
S   21
  1 7010036.0000000             0.14393981E-5    
  2 3489316.1000000            -0.84034208E-6    
  3 1736842.2000000             0.48692049E-5    
  4 864530.7300000              0.32375410E-5    
  5 430328.8900000              0.16768271E-4    
  6 214200.5400000              0.31007451E-4    
  7 106620.4800000              0.82993952E-4    
  8  53071.4180000              0.18998198E-3    
  9  26416.8330000              0.46151388E-3    
 10  13149.2450000              0.10945308E-2    
 11   6545.1692000              0.26089891E-2    
 12   3257.9239000              0.61757438E-2    
 13   1621.6645000              0.14458895E-1    
 14    807.1998400              0.33174850E-1    
 15    401.7918600              0.72811640E-1    
 16    199.9959500              0.147223973      
 17     99.54999800             0.254144316      
 18     49.55201500             0.324750529      
 19     24.66501500             0.230874675      
 20     12.27726000             0.059430194      
 21      6.111129800            0.38523020E-2    
S   21
  1 7010036.0000000             0.39743053E-6    
  2 3489316.1000000            -0.23137995E-6    
  3 1736842.2000000             0.13427142E-5    
  4 864530.7300000              0.89975164E-6    
  5 430328.8900000              0.46194157E-5    
  6 214200.5400000              0.85924467E-5    
  7 106620.4800000              0.22872063E-4    
  8  53071.4180000              0.52621485E-4    
  9  26416.8330000              0.12734765E-3    
 10  13149.2450000              0.30346017E-3    
 11   6545.1692000              0.72242155E-3    
 12   3257.9239000              0.17220247E-2    
 13   1621.6645000              0.40541165E-2    
 14    807.1998400              0.94756820E-2    
 15    401.7918600              0.21425437E-1    
 16    199.9959500              0.46194950E-1    
 17     99.54999800             0.89914022E-1    
 18     49.55201500             0.1463329579     
 19     24.66501500             0.1490147799     
 20     12.27726000            -0.0161861918     
 21      6.111129800           -0.3446816404     
S   21
  1 7010036.0000000            -0.11553338E-6    
  2 3489316.1000000             0.67978120E-7    
  3 1736842.2000000            -0.39224463E-6    
  4 864530.7300000             -0.25512491E-6    
  5 430328.8900000             -0.13547393E-5    
  6 214200.5400000             -0.24646622E-5    
  7 106620.4800000             -0.67031950E-5    
  8  53071.4180000             -0.15143074E-4    
  9  26416.8330000             -0.37253152E-4    
 10  13149.2450000             -0.87520661E-4    
 11   6545.1692000             -0.21103236E-3    
 12   3257.9239000             -0.49767312E-3    
 13   1621.6645000             -0.11840931E-2    
 14    807.1998400             -0.27474376E-2    
 15    401.7918600             -0.62804034E-2    
 16    199.9959500             -0.13515810E-1    
 17     99.54999800            -0.26818906E-1    
 18     49.55201500            -0.44279856E-1    
 19     24.66501500            -0.47655137E-1    
 20     12.27726000             0.69191566E-2    
 21      6.111129800            0.1275718473     
S   1
  1      3.041876500            1.0000000        
S   1
  1      1.514124700            1.0000000        
S   1
  1      0.753670820            1.0000000        
S   1
  1      0.375147250            1.0000000        
S   1
  1      0.186733320            1.0000000        
S   1
  1      0.092948394            1.0000000        
S   1
  1      0.0371790              1.0000000        
P   12
  1   9780.0262000              0.14400789E-4    
  2   4800.6372000              0.14765406E-4    
  3   2356.4475000              0.10011551E-3    
  4   1156.6891000              0.29000274E-3    
  5    567.7740000              0.10415811E-2    
  6    278.6983300              0.34037782E-2    
  7    136.8022500              0.10841169E-1    
  8     67.15094300             0.31942317E-1    
  9     32.96180500             0.84894757E-1    
 10     16.17967700             0.1856741163     
 11      7.941978900            0.3046790243     
 12      3.898410800            0.3454515448     
P   12
  1   9780.0262000              0.36505507E-5    
  2   4800.6372000              0.38364739E-5    
  3   2356.4475000              0.25279606E-4    
  4   1156.6891000              0.74471021E-4    
  5    567.7740000              0.26448086E-3    
  6    278.6983300              0.87332482E-3    
  7    136.8022500              0.27778292E-2    
  8     67.15094300             0.82927386E-2    
  9     32.96180500             0.22358523E-1    
 10     16.17967700             0.50261912E-1    
 11      7.941978900            0.84322121E-1    
 12      3.898410800            0.1027551345     
P   1
  1      1.913579300            1.0000000        
P   1
  1      0.939302210            1.0000000        
P   1
  1      0.461067190            1.0000000        
P   1
  1      0.226320080            1.0000000        
P   1
  1      0.111091790            1.0000000        
P   1
  1      0.054530669            1.0000000        
P   1
  1      0.0218120              1.0000000        
D   1
  1      8.1157469              1.0000000        
D   1
  1      3.6595333              1.0000000        
D   1
  1      1.6501480              1.0000000        
D   1
  1      0.7440808              1.0000000        
D   1
  1      0.3355191              1.0000000        
D   1
  1      0.1512915              1.0000000        
D   1
  1      0.0343800              1.0000000        
F   1
  1      1.7321483              1.0000000        
F   1
  1      0.7770966              1.0000000        
F   1
  1      0.3486301              1.0000000        
F   1
  1      0.1564065              1.0000000        
F   1
  1      0.0701689              1.0000000        
F   1
  1      0.0219300              1.0000000        
G   1
  1      1.5999868              1.0000000        
G   1
  1      0.9809852              1.0000000        
G   1
  1      0.6014624              1.0000000        
G   1
  1      0.3687691              1.0000000        
G   1
  1      0.1843800              1.0000000        
H   1
  1      1.5347571              1.0000000        
H   1
  1      0.9157262              1.0000000        
H   1
  1      0.5463760              1.0000000        
H   1
  1      0.3035400              1.0000000        
I   1
  1      1.5000000              1.0000000        
I   1
  1      0.7570000              1.0000000        
I   1
  1      0.4450000              1.0000000        
K   1
  1      1.2090000              1.0000000        
K   1
  1      0.7110000              1.0000000


name: aug-pc-0
description: N/A
elt: K
data:
POTASSIUM
S   7
  1      0.11700E+05            0.66806E-02      
  2      0.17627E+04            0.49297E-01      
  3      0.40300E+03            0.21643E+00      
  4      0.11520E+03            0.50000E+00      
  5      0.37693E+02            0.43209E+00      
  6      0.51906E+01            0.21821E-01      
  7      0.51212E+00           -0.34634E-02      
S   7
  1      0.11700E+05           -0.84480E-03      
  2      0.17627E+04           -0.68033E-02      
  3      0.40300E+03           -0.28680E-01      
  4      0.11520E+03           -0.99591E-01      
  5      0.37693E+02           -0.80208E-01      
  6      0.51906E+01            0.50000E+00      
  7      0.51212E+00            0.44969E-01      
S   7
  1      0.11700E+05            0.27396E-03      
  2      0.17627E+04            0.22356E-02      
  3      0.40300E+03            0.93160E-02      
  4      0.11520E+03            0.34039E-01      
  5      0.37693E+02            0.27069E-01      
  6      0.51906E+01           -0.27541E+00      
  7      0.51212E+00            0.50000E+00      
S   7
  1      0.11700E+05            0.16212E-03      
  2      0.17627E+04            0.13221E-02      
  3      0.40300E+03            0.55206E-02      
  4      0.11520E+03            0.20179E-01      
  5      0.37693E+02            0.16240E-01      
  6      0.51906E+01           -0.17421E+00      
  7      0.51212E+00            0.50000E+00      
S   1
  1      0.34289E-01            1.0000000        
S   1
  1      0.11430E-01            1.0000000        
P   6
  1      0.20292E+03            0.26919E-01      
  2      0.47229E+02            0.16901E+00      
  3      0.14320E+02            0.46749E+00      
  4      0.47180E+01            0.50000E+00      
  5      0.11465E+01            0.77563E-01      
  6      0.33359E+00           -0.15304E-01      
P   6
  1      0.20292E+03           -0.71552E-02      
  2      0.47229E+02           -0.45049E-01      
  3      0.14320E+02           -0.14000E+00      
  4      0.47180E+01           -0.11626E+00      
  5      0.11465E+01            0.42769E+00      
  6      0.33359E+00            0.50000E+00      
P   1
  1      0.66700E-01            1.0000000        
P   1
  1      0.16675E-01            1.0000000


name: aug-pc-0
description: N/A
elt: Ca
data:
CALCIUM
S   7
  1      0.13100E+05            0.66249E-02      
  2      0.19736E+04            0.48908E-01      
  3      0.45122E+03            0.21524E+00      
  4      0.12902E+03            0.50000E+00      
  5      0.42226E+02            0.43720E+00      
  6      0.59019E+01            0.22828E-01      
  7      0.62065E+00           -0.38011E-02      
S   7
  1      0.13100E+05           -0.84491E-03      
  2      0.19736E+04           -0.67975E-02      
  3      0.45122E+03           -0.28786E-01      
  4      0.12902E+03           -0.10001E+00      
  5      0.42226E+02           -0.82929E-01      
  6      0.59019E+01            0.50000E+00      
  7      0.62065E+00            0.46934E-01      
S   7
  1      0.13100E+05            0.28173E-03      
  2      0.19736E+04            0.22976E-02      
  3      0.45122E+03            0.96153E-02      
  4      0.12902E+03            0.35205E-01      
  5      0.42226E+02            0.28853E-01      
  6      0.59019E+01           -0.28622E+00      
  7      0.62065E+00            0.50000E+00      
S   7
  1      0.13100E+05            0.16173E-03      
  2      0.19736E+04            0.13195E-02      
  3      0.45122E+03            0.55252E-02      
  4      0.12902E+03            0.20293E-01      
  5      0.42226E+02            0.16750E-01      
  6      0.59019E+01           -0.17702E+00      
  7      0.62065E+00            0.50000E+00      
S   1
  1      0.48923E-01            1.0000000        
S   1
  1      0.16308E-01            1.0000000        
P   6
  1      0.23476E+03            0.25391E-01      
  2      0.54750E+02            0.16141E+00      
  3      0.16675E+02            0.45563E+00      
  4      0.55491E+01            0.50000E+00      
  5      0.14127E+01            0.83328E-01      
  6      0.43559E+00           -0.15832E-01      
P   6
  1      0.23476E+03           -0.72251E-02      
  2      0.54750E+02           -0.46231E-01      
  3      0.16675E+02           -0.14603E+00      
  4      0.55491E+01           -0.12928E+00      
  5      0.14127E+01            0.42412E+00      
  6      0.43559E+00            0.50000E+00      
P   1
  1      0.87100E-01            1.0000000        
P   1
  1      0.21775E-01            1.0000000


name: aug-pc-0
description: N/A
elt: Ga
data:
GALLIUM
S   7
  1      0.32518E+05            0.64796E-02      
  2      0.48984E+04            0.47895E-01      
  3      0.11205E+04            0.21257E+00      
  4      0.32165E+03            0.50000E+00      
  5      0.10652E+03            0.45042E+00      
  6      0.16461E+02            0.26287E-01      
  7      0.19606E+01           -0.43419E-02      
S   7
  1      0.32518E+05           -0.86979E-03      
  2      0.48984E+04           -0.69755E-02      
  3      0.11205E+04           -0.30065E-01      
  4      0.32165E+03           -0.10477E+00      
  5      0.10652E+03           -0.93282E-01      
  6      0.16461E+02            0.50000E+00      
  7      0.19606E+01            0.45974E-01      
S   7
  1      0.32518E+05            0.30313E-03      
  2      0.48984E+04            0.24867E-02      
  3      0.11205E+04            0.10459E-01      
  4      0.32165E+03            0.39426E-01      
  5      0.10652E+03            0.33267E-01      
  6      0.16461E+02           -0.30729E+00      
  7      0.19606E+01            0.50000E+00      
S   7
  1      0.32518E+05            0.17542E-03      
  2      0.48984E+04            0.14405E-02      
  3      0.11205E+04            0.60576E-02      
  4      0.32165E+03            0.22957E-01      
  5      0.10652E+03            0.19463E-01      
  6      0.16461E+02           -0.19306E+00      
  7      0.19606E+01            0.50000E+00      
S   1
  1      0.13897E+00            1.0000000        
S   1
  1      0.46323E-01            1.0000000        
P   6
  1      0.66913E+03            0.22011E-01      
  2      0.15739E+03            0.14768E+00      
  3      0.49046E+02            0.44246E+00      
  4      0.17088E+02            0.50000E+00      
  5      0.48489E+01            0.85190E-01      
  6      0.15404E+01           -0.11890E-01      
P   6
  1      0.66913E+03           -0.70070E-02      
  2      0.15739E+03           -0.47280E-01      
  3      0.49046E+02           -0.16133E+00      
  4      0.17088E+02           -0.14368E+00      
  5      0.48489E+01            0.41775E+00      
  6      0.15404E+01            0.50000E+00      
P   6
  1      0.66913E+03           -0.60655E-02      
  2      0.15739E+03           -0.42072E-01      
  3      0.49046E+02           -0.13980E+00      
  4      0.17088E+02           -0.13597E+00      
  5      0.48489E+01            0.50000E+00      
  6      0.15404E+01            0.35834E+00      
P   1
  1      0.11947E+00            1.0000000        
P   1
  1      0.29868E-01            1.0000000        
D   4
  1      0.37511E+02            0.69317E-01      
  2      0.10190E+02            0.29699E+00      
  3      0.31145E+01            0.50000E+00      
  4      0.83319E+00            0.41181E+00


name: aug-pc-0
description: N/A
elt: Ge
data:
GERMANIUM
S   7
  1      0.34756E+05            0.64652E-02      
  2      0.52355E+04            0.47793E-01      
  3      0.11976E+04            0.21227E+00      
  4      0.34385E+03            0.50000E+00      
  5      0.11393E+03            0.45186E+00      
  6      0.17697E+02            0.26657E-01      
  7      0.21448E+01           -0.45014E-02      
S   7
  1      0.34756E+05           -0.87051E-03      
  2      0.52355E+04           -0.69796E-02      
  3      0.11976E+04           -0.30121E-01      
  4      0.34385E+03           -0.10501E+00      
  5      0.11393E+03           -0.94135E-01      
  6      0.17697E+02            0.50000E+00      
  7      0.21448E+01            0.46990E-01      
S   7
  1      0.34756E+05            0.30600E-03      
  2      0.52355E+04            0.25095E-02      
  3      0.11976E+04            0.10570E-01      
  4      0.34385E+03            0.39864E-01      
  5      0.11393E+03            0.33925E-01      
  6      0.17697E+02           -0.31100E+00      
  7      0.21448E+01            0.50000E+00      
S   7
  1      0.34756E+05            0.17397E-03      
  2      0.52355E+04            0.14287E-02      
  3      0.11976E+04            0.60144E-02      
  4      0.34385E+03            0.22822E-01      
  5      0.11393E+03            0.19492E-01      
  6      0.17697E+02           -0.19266E+00      
  7      0.21448E+01            0.50000E+00      
S   1
  1      0.17441E+00            1.0000000        
S   1
  1      0.58135E-01            1.0000000        
P   6
  1      0.72452E+03            0.21519E-01      
  2      0.17051E+03            0.14503E+00      
  3      0.53205E+02            0.43776E+00      
  4      0.18584E+02            0.50000E+00      
  5      0.53391E+01            0.87780E-01      
  6      0.17314E+01           -0.12215E-01      
P   6
  1      0.72452E+03           -0.68930E-02      
  2      0.17051E+03           -0.46759E-01      
  3      0.53205E+02           -0.16055E+00      
  4      0.18584E+02           -0.14650E+00      
  5      0.53391E+01            0.40654E+00      
  6      0.17314E+01            0.50000E+00      
P   6
  1      0.72452E+03           -0.59909E-02      
  2      0.17051E+03           -0.41854E-01      
  3      0.53205E+02           -0.13975E+00      
  4      0.18584E+02           -0.13987E+00      
  5      0.53391E+01            0.50000E+00      
  6      0.17314E+01            0.36023E+00      
P   1
  1      0.16012E+00            1.0000000        
P   1
  1      0.40029E-01            1.0000000        
D   4
  1      0.43059E+02            0.65306E-01      
  2      0.11804E+02            0.28779E+00      
  3      0.36775E+01            0.50000E+00      
  4      0.10291E+01            0.40102E+00


name: aug-pc-0
description: N/A
elt: As
data:
ARSENIC
S   7
  1      0.37076E+05            0.64504E-02      
  2      0.55849E+04            0.47689E-01      
  3      0.12775E+04            0.21196E+00      
  4      0.36685E+03            0.50000E+00      
  5      0.12160E+03            0.45330E+00      
  6      0.18979E+02            0.27025E-01      
  7      0.23416E+01           -0.46585E-02      
S   7
  1      0.37076E+05           -0.87102E-03      
  2      0.55849E+04           -0.69822E-02      
  3      0.12775E+04           -0.30170E-01      
  4      0.36685E+03           -0.10522E+00      
  5      0.12160E+03           -0.94974E-01      
  6      0.18979E+02            0.50000E+00      
  7      0.23416E+01            0.47958E-01      
S   7
  1      0.37076E+05            0.30870E-03      
  2      0.55849E+04            0.25309E-02      
  3      0.12775E+04            0.10677E-01      
  4      0.36685E+03            0.40279E-01      
  5      0.12160E+03            0.34578E-01      
  6      0.18979E+02           -0.31468E+00      
  7      0.23416E+01            0.50000E+00      
S   7
  1      0.37076E+05            0.17282E-03      
  2      0.55849E+04            0.14192E-02      
  3      0.12775E+04            0.59809E-02      
  4      0.36685E+03            0.22726E-01      
  5      0.12160E+03            0.19551E-01      
  6      0.18979E+02           -0.19261E+00      
  7      0.23416E+01            0.50000E+00      
S   1
  1      0.21089E+00            1.0000000        
S   1
  1      0.70295E-01            1.0000000        
P   6
  1      0.78136E+03            0.21115E-01      
  2      0.18397E+03            0.14286E+00      
  3      0.57480E+02            0.43386E+00      
  4      0.20130E+02            0.50000E+00      
  5      0.58418E+01            0.90099E-01      
  6      0.19352E+01           -0.12582E-01      
P   6
  1      0.78136E+03           -0.68265E-02      
  2      0.18397E+03           -0.46501E-01      
  3      0.57480E+02           -0.16061E+00      
  4      0.20130E+02           -0.14916E+00      
  5      0.58418E+01            0.39850E+00      
  6      0.19352E+01            0.50000E+00      
P   6
  1      0.78136E+03           -0.59138E-02      
  2      0.18397E+03           -0.41566E-01      
  3      0.57480E+02           -0.13940E+00      
  4      0.20130E+02           -0.14268E+00      
  5      0.58418E+01            0.50000E+00      
  6      0.19352E+01            0.35672E+00      
P   1
  1      0.20202E+00            1.0000000        
P   1
  1      0.50504E-01            1.0000000        
D   4
  1      0.48794E+02            0.62126E-01      
  2      0.13477E+02            0.28036E+00      
  3      0.42626E+01            0.50000E+00      
  4      0.12350E+01            0.39254E+00


name: aug-pc-0
description: N/A
elt: Se
data:
SELENIUM
S   7
  1      0.39475E+05            0.64361E-02      
  2      0.59461E+04            0.47590E-01      
  3      0.13602E+04            0.21165E+00      
  4      0.39064E+03            0.50000E+00      
  5      0.12953E+03            0.45473E+00      
  6      0.20309E+02            0.27392E-01      
  7      0.25506E+01           -0.48156E-02      
S   7
  1      0.39475E+05           -0.87145E-03      
  2      0.59461E+04           -0.69843E-02      
  3      0.13602E+04           -0.30215E-01      
  4      0.39064E+03           -0.10542E+00      
  5      0.12953E+03           -0.95798E-01      
  6      0.20309E+02            0.50000E+00      
  7      0.25506E+01            0.48904E-01      
S   7
  1      0.39475E+05            0.31130E-03      
  2      0.59461E+04            0.25513E-02      
  3      0.13602E+04            0.10780E-01      
  4      0.39064E+03            0.40677E-01      
  5      0.12953E+03            0.35226E-01      
  6      0.20309E+02           -0.31831E+00      
  7      0.25506E+01            0.50000E+00      
S   7
  1      0.39475E+05            0.17182E-03      
  2      0.59461E+04            0.14111E-02      
  3      0.13602E+04            0.59528E-02      
  4      0.39064E+03            0.22647E-01      
  5      0.12953E+03            0.19626E-01      
  6      0.20309E+02           -0.19275E+00      
  7      0.25506E+01            0.50000E+00      
S   1
  1      0.24979E+00            1.0000000        
S   1
  1      0.83263E-01            1.0000000        
P   6
  1      0.83900E+03            0.20814E-01      
  2      0.19762E+03            0.14130E+00      
  3      0.61821E+02            0.43103E+00      
  4      0.21706E+02            0.50000E+00      
  5      0.63458E+01            0.91969E-01      
  6      0.21475E+01           -0.12998E-01      
P   6
  1      0.83900E+03           -0.68145E-02      
  2      0.19762E+03           -0.46557E-01      
  3      0.61821E+02           -0.16168E+00      
  4      0.21706E+02           -0.15159E+00      
  5      0.63458E+01            0.39440E+00      
  6      0.21475E+01            0.50000E+00      
P   6
  1      0.83900E+03           -0.58001E-02      
  2      0.19762E+03           -0.40994E-01      
  3      0.61821E+02           -0.13788E+00      
  4      0.21706E+02           -0.14360E+00      
  5      0.63458E+01            0.50000E+00      
  6      0.21475E+01            0.33994E+00      
P   1
  1      0.24524E+00            1.0000000        
P   1
  1      0.61310E-01            1.0000000        
D   4
  1      0.54720E+02            0.59557E-01      
  2      0.15209E+02            0.27431E+00      
  3      0.48700E+01            0.50000E+00      
  4      0.14509E+01            0.38567E+00


name: aug-pc-0
description: N/A
elt: Br
data:
BROMINE
S   7
  1      0.41956E+05            0.64215E-02      
  2      0.63198E+04            0.47487E-01      
  3      0.14457E+04            0.21134E+00      
  4      0.41524E+03            0.50000E+00      
  5      0.13773E+03            0.45616E+00      
  6      0.21686E+02            0.27752E-01      
  7      0.27710E+01           -0.49678E-02      
S   7
  1      0.41956E+05           -0.87170E-03      
  2      0.63198E+04           -0.69847E-02      
  3      0.14457E+04           -0.30252E-01      
  4      0.41524E+03           -0.10560E+00      
  5      0.13773E+03           -0.96604E-01      
  6      0.21686E+02            0.50000E+00      
  7      0.27710E+01            0.49789E-01      
S   7
  1      0.41956E+05            0.31368E-03      
  2      0.63198E+04            0.25700E-02      
  3      0.14457E+04            0.10875E-01      
  4      0.41524E+03            0.41048E-01      
  5      0.13773E+03            0.35855E-01      
  6      0.21686E+02           -0.32181E+00      
  7      0.27710E+01            0.50000E+00      
S   7
  1      0.41956E+05            0.17100E-03      
  2      0.63198E+04            0.14043E-02      
  3      0.14457E+04            0.59304E-02      
  4      0.41524E+03            0.22591E-01      
  5      0.13773E+03            0.19718E-01      
  6      0.21686E+02           -0.19307E+00      
  7      0.27710E+01            0.50000E+00      
S   1
  1      0.29002E+00            1.0000000        
S   1
  1      0.96674E-01            1.0000000        
P   6
  1      0.89656E+03            0.20639E-01      
  2      0.21126E+03            0.14047E+00      
  3      0.66163E+02            0.42956E+00      
  4      0.23291E+02            0.50000E+00      
  5      0.68373E+01            0.93239E-01      
  6      0.23641E+01           -0.13486E-01      
P   6
  1      0.89656E+03           -0.68701E-02      
  2      0.21126E+03           -0.47007E-01      
  3      0.66163E+02           -0.16402E+00      
  4      0.23291E+02           -0.15377E+00      
  5      0.68373E+01            0.39517E+00      
  6      0.23641E+01            0.50000E+00      
P   6
  1      0.89656E+03           -0.56951E-02      
  2      0.21126E+03           -0.40391E-01      
  3      0.66163E+02           -0.13628E+00      
  4      0.23291E+02           -0.14269E+00      
  5      0.68373E+01            0.50000E+00      
  6      0.23641E+01            0.32013E+00      
P   1
  1      0.29044E+00            1.0000000        
P   1
  1      0.72610E-01            1.0000000        
D   4
  1      0.60862E+02            0.57410E-01      
  2      0.17007E+02            0.26921E+00      
  3      0.55023E+01            0.50000E+00      
  4      0.16773E+01            0.37994E+00


name: aug-pc-0
description: N/A
elt: Kr
data:
KRYPTON
S   7
  1      0.44517E+05            0.64072E-02      
  2      0.67055E+04            0.47387E-01      
  3      0.15339E+04            0.21103E+00      
  4      0.44062E+03            0.50000E+00      
  5      0.14618E+03            0.45755E+00      
  6      0.23110E+02            0.28105E-01      
  7      0.30025E+01           -0.51152E-02      
S   7
  1      0.44517E+05           -0.87186E-03      
  2      0.67055E+04           -0.69845E-02      
  3      0.15339E+04           -0.30286E-01      
  4      0.44062E+03           -0.10576E+00      
  5      0.14618E+03           -0.97387E-01      
  6      0.23110E+02            0.50000E+00      
  7      0.30025E+01            0.50619E-01      
S   7
  1      0.44517E+05            0.31589E-03      
  2      0.67055E+04            0.25872E-02      
  3      0.15339E+04            0.10963E-01      
  4      0.44062E+03            0.41394E-01      
  5      0.14618E+03            0.36463E-01      
  6      0.23110E+02           -0.32515E+00      
  7      0.30025E+01            0.50000E+00      
S   7
  1      0.44517E+05            0.17032E-03      
  2      0.67055E+04            0.13987E-02      
  3      0.15339E+04            0.59124E-02      
  4      0.44062E+03            0.22551E-01      
  5      0.14618E+03            0.19820E-01      
  6      0.23110E+02           -0.19352E+00      
  7      0.30025E+01            0.50000E+00      
S   1
  1      0.33188E+00            1.0000000        
S   1
  1      0.11063E+00            1.0000000        
P   6
  1      0.95381E+03            0.20576E-01      
  2      0.22482E+03            0.14031E+00      
  3      0.70490E+02            0.42930E+00      
  4      0.24881E+02            0.50000E+00      
  5      0.73138E+01            0.93974E-01      
  6      0.25832E+01           -0.14047E-01      
P   6
  1      0.95381E+03           -0.69883E-02      
  2      0.22482E+03           -0.47830E-01      
  3      0.70490E+02           -0.16755E+00      
  4      0.24881E+02           -0.15577E+00      
  5      0.73138E+01            0.40050E+00      
  6      0.25832E+01            0.50000E+00      
P   6
  1      0.95381E+03           -0.56004E-02      
  2      0.22482E+03           -0.39776E-01      
  3      0.70490E+02           -0.13466E+00      
  4      0.24881E+02           -0.14021E+00      
  5      0.73138E+01            0.50000E+00      
  6      0.25832E+01            0.29866E+00      
P   1
  1      0.33864E+00            1.0000000        
P   1
  1      0.84661E-01            1.0000000        
D   4
  1      0.67223E+02            0.55591E-01      
  2      0.18872E+02            0.26487E+00      
  3      0.61596E+01            0.50000E+00      
  4      0.19141E+01            0.37507E+00


name: aug-pc-2
description: N/A
elt: Sc
data:
SCANDIUM
S   14
  1      0.62773E+06            0.73549E-04      
  2      0.94052E+05            0.57146E-03      
  3      0.21398E+05            0.29975E-02      
  4      0.60576E+04            0.12522E-01      
  5      0.19747E+04            0.44053E-01      
  6      0.71175E+03            0.13053E+00      
  7      0.27642E+03            0.30786E+00      
  8      0.11374E+03            0.50000E+00      
  9      0.48371E+02            0.41619E+00      
 10      0.19731E+02            0.88713E-01      
 11      0.87680E+01           -0.66932E-02      
 12      0.38055E+01            0.25878E-02      
 13      0.11908E+01           -0.87244E-03      
 14      0.47421E+00            0.36884E-03      
S   14
  1      0.62773E+06           -0.14192E-04      
  2      0.94052E+05           -0.11031E-03      
  3      0.21398E+05           -0.57968E-03      
  4      0.60576E+04           -0.24349E-02      
  5      0.19747E+04           -0.87080E-02      
  6      0.71175E+03           -0.26902E-01      
  7      0.27642E+03           -0.70259E-01      
  8      0.11374E+03           -0.14164E+00      
  9      0.48371E+02           -0.17576E+00      
 10      0.19731E+02            0.55680E-01      
 11      0.87680E+01            0.50000E+00      
 12      0.38055E+01            0.40915E+00      
 13      0.11908E+01            0.34107E-01      
 14      0.47421E+00           -0.63681E-02      
S   14
  1      0.62773E+06            0.47556E-05      
  2      0.94052E+05            0.37034E-04      
  3      0.21398E+05            0.19412E-03      
  4      0.60576E+04            0.81882E-03      
  5      0.19747E+04            0.29200E-02      
  6      0.71175E+03            0.91142E-02      
  7      0.27642E+03            0.23888E-01      
  8      0.11374E+03            0.49889E-01      
  9      0.48371E+02            0.64169E-01      
 10      0.19731E+02           -0.21167E-01      
 11      0.87680E+01           -0.28163E+00      
 12      0.38055E+01           -0.31324E+00      
 13      0.11908E+01            0.50000E+00      
 14      0.47421E+00            0.49431E+00      
S   14
  1      0.62773E+06            0.21878E-05      
  2      0.94052E+05            0.17027E-04      
  3      0.21398E+05            0.89331E-04      
  4      0.60576E+04            0.37641E-03      
  5      0.19747E+04            0.13445E-02      
  6      0.71175E+03            0.41913E-02      
  7      0.27642E+03            0.11026E-01      
  8      0.11374E+03            0.23019E-01      
  9      0.48371E+02            0.29986E-01      
 10      0.19731E+02           -0.10304E-01      
 11      0.87680E+01           -0.13687E+00      
 12      0.38055E+01           -0.16592E+00      
 13      0.11908E+01            0.33869E+00      
 14      0.47421E+00            0.50000E+00      
S   1
  1      0.86682E-01            1.0000000        
S   1
  1      0.33288E-01            1.0000000        
S   1
  1      0.11871E-01            1.0000000        
P   9
  1      0.20849E+04            0.91431E-03      
  2      0.49449E+03            0.77450E-02      
  3      0.15917E+03            0.40639E-01      
  4      0.59655E+02            0.14312E+00      
  5      0.24604E+02            0.34062E+00      
  6      0.10613E+02            0.50000E+00      
  7      0.46331E+01            0.34582E+00      
  8      0.18664E+01            0.58486E-01      
  9      0.76764E+00           -0.42797E-02      
P   9
  1      0.20849E+04           -0.24044E-03      
  2      0.49449E+03           -0.20440E-02      
  3      0.15917E+03           -0.10866E-01      
  4      0.59655E+02           -0.39278E-01      
  5      0.24604E+02           -0.98426E-01      
  6      0.10613E+02           -0.15310E+00      
  7      0.46331E+01           -0.60835E-01      
  8      0.18664E+01            0.32212E+00      
  9      0.76764E+00            0.50000E+00      
P   1
  1      0.29332E+00            1.0000000        
P   1
  1      0.64000E-01            1.0000000        
P   1
  1      0.13381E-01            1.0000000        
D   6
  1      0.65391E+02            0.39910E-02      
  2      0.19287E+02            0.27645E-01      
  3      0.71372E+01            0.10438E+00      
  4      0.27868E+01            0.27396E+00      
  5      0.11371E+01            0.43829E+00      
  6      0.45070E+00            0.50000E+00      
D   1
  1      0.17109E+00            1.0000000        
D   1
  1      0.59811E-01            1.0000000        
D   1
  1      0.19543E-01            1.0000000        
F   1
  1      2.206000E+00           1.0000000        
F   1
  1      0.490000E+00           1.0000000        
F   1
  1      0.53522E-01            1.0000000        
G   1
  1      1.118000E+00           1.0000000        
G   1
  1      0.66903E-01            1.0000000


name: aug-pc-2
description: N/A
elt: Ti
data:
TITANIUM
S   14
  1      0.69008E+06            0.73457E-04      
  2      0.10338E+06            0.57071E-03      
  3      0.23528E+05            0.29919E-02      
  4      0.66631E+04            0.12492E-01      
  5      0.21729E+04            0.43933E-01      
  6      0.78350E+03            0.13018E+00      
  7      0.30439E+03            0.30737E+00      
  8      0.12527E+03            0.50000E+00      
  9      0.53296E+02            0.41692E+00      
 10      0.21701E+02            0.88934E-01      
 11      0.97375E+01           -0.71250E-02      
 12      0.42620E+01            0.27485E-02      
 13      0.13594E+01           -0.92150E-03      
 14      0.54108E+00            0.38132E-03      
S   14
  1      0.69008E+06           -0.14249E-04      
  2      0.10338E+06           -0.11075E-03      
  3      0.23528E+05           -0.58162E-03      
  4      0.66631E+04           -0.24421E-02      
  5      0.21729E+04           -0.87303E-02      
  6      0.78350E+03           -0.26979E-01      
  7      0.30439E+03           -0.70535E-01      
  8      0.12527E+03           -0.14259E+00      
  9      0.53296E+02           -0.17698E+00      
 10      0.21701E+02            0.57112E-01      
 11      0.97375E+01            0.50000E+00      
 12      0.42620E+01            0.40533E+00      
 13      0.13594E+01            0.33798E-01      
 14      0.54108E+00           -0.60455E-02      
S   14
  1      0.69008E+06            0.48118E-05      
  2      0.10338E+06            0.37482E-04      
  3      0.23528E+05            0.19626E-03      
  4      0.66631E+04            0.82804E-03      
  5      0.21729E+04            0.29496E-02      
  6      0.78350E+03            0.92194E-02      
  7      0.30439E+03            0.24166E-01      
  8      0.12527E+03            0.50730E-01      
  9      0.53296E+02            0.65161E-01      
 10      0.21701E+02           -0.21784E-01      
 11      0.97375E+01           -0.28775E+00      
 12      0.42620E+01           -0.31138E+00      
 13      0.13594E+01            0.50000E+00      
 14      0.54108E+00            0.49112E+00      
S   14
  1      0.69008E+06            0.22240E-05      
  2      0.10338E+06            0.17314E-04      
  3      0.23528E+05            0.90742E-04      
  4      0.66631E+04            0.38241E-03      
  5      0.21729E+04            0.13646E-02      
  6      0.78350E+03            0.42594E-02      
  7      0.30439E+03            0.11208E-01      
  8      0.12527E+03            0.23520E-01      
  9      0.53296E+02            0.30615E-01      
 10      0.21701E+02           -0.10688E-01      
 11      0.97375E+01           -0.14079E+00      
 12      0.42620E+01           -0.16607E+00      
 13      0.13594E+01            0.34077E+00      
 14      0.54108E+00            0.50000E+00      
S   1
  1      0.98522E-01            1.0000000        
S   1
  1      0.37168E-01            1.0000000        
S   1
  1      0.13038E-01            1.0000000        
P   9
  1      0.23380E+04            0.89587E-03      
  2      0.55443E+03            0.76044E-02      
  3      0.17854E+03            0.40013E-01      
  4      0.67006E+02            0.14160E+00      
  5      0.27688E+02            0.33920E+00      
  6      0.11990E+02            0.50000E+00      
  7      0.52640E+01            0.34642E+00      
  8      0.21443E+01            0.58946E-01      
  9      0.88504E+00           -0.40109E-02      
P   9
  1      0.23380E+04           -0.24016E-03      
  2      0.55443E+03           -0.20475E-02      
  3      0.17854E+03           -0.10909E-01      
  4      0.67006E+02           -0.39683E-01      
  5      0.27688E+02           -0.10010E+00      
  6      0.11990E+02           -0.15668E+00      
  7      0.52640E+01           -0.61655E-01      
  8      0.21443E+01            0.32538E+00      
  9      0.88504E+00            0.50000E+00      
P   1
  1      0.33961E+00            1.0000000        
P   1
  1      0.74000E-01            1.0000000        
P   1
  1      0.15451E-01            1.0000000        
D   6
  1      0.87008E+02            0.31785E-02      
  2      0.25764E+02            0.23345E-01      
  3      0.94975E+01            0.95972E-01      
  4      0.37279E+01            0.25973E+00      
  5      0.15560E+01            0.43407E+00      
  6      0.63471E+00            0.50000E+00      
D   1
  1      0.24526E+00            1.0000000        
D   1
  1      0.85776E-01            1.0000000        
D   1
  1      0.28038E-01            1.0000000        
F   1
  1      2.426000E+00           1.0000000        
F   1
  1      0.539000E+00           1.0000000        
F   1
  1      0.61805E-01            1.0000000        
G   1
  1      1.229000E+00           1.0000000        
G   1
  1      0.77256E-01            1.0000000


name: aug-pc-2
description: N/A
elt: V
data:
VANADIUM
S   14
  1      0.75021E+06            0.73784E-04      
  2      0.11240E+06            0.57320E-03      
  3      0.25580E+05            0.30049E-02      
  4      0.72444E+04            0.12545E-01      
  5      0.23624E+04            0.44115E-01      
  6      0.85183E+03            0.13067E+00      
  7      0.33092E+03            0.30833E+00      
  8      0.13618E+03            0.50000E+00      
  9      0.57925E+02            0.41382E+00      
 10      0.23384E+02            0.86348E-01      
 11      0.10643E+02           -0.80088E-02      
 12      0.47068E+01            0.30187E-02      
 13      0.15295E+01           -0.99833E-03      
 14      0.60625E+00            0.40235E-03      
S   14
  1      0.75021E+06           -0.14374E-04      
  2      0.11240E+06           -0.11173E-03      
  3      0.25580E+05           -0.58661E-03      
  4      0.72444E+04           -0.24639E-02      
  5      0.23624E+04           -0.88044E-02      
  6      0.85183E+03           -0.27228E-01      
  7      0.33092E+03           -0.71151E-01      
  8      0.13618E+03           -0.14395E+00      
  9      0.57925E+02           -0.17683E+00      
 10      0.23384E+02            0.64411E-01      
 11      0.10643E+02            0.50000E+00      
 12      0.47068E+01            0.39488E+00      
 13      0.15295E+01            0.32392E-01      
 14      0.60625E+00           -0.55268E-02      
S   14
  1      0.75021E+06            0.48708E-05      
  2      0.11240E+06            0.37958E-04      
  3      0.25580E+05            0.19861E-03      
  4      0.72444E+04            0.83875E-03      
  5      0.23624E+04            0.29843E-02      
  6      0.85183E+03            0.93452E-02      
  7      0.33092E+03            0.24461E-01      
  8      0.13618E+03            0.51526E-01      
  9      0.57925E+02            0.65394E-01      
 10      0.23384E+02           -0.24858E-01      
 11      0.10643E+02           -0.29395E+00      
 12      0.47068E+01           -0.30235E+00      
 13      0.15295E+01            0.50000E+00      
 14      0.60625E+00            0.48354E+00      
S   14
  1      0.75021E+06            0.22842E-05      
  2      0.11240E+06            0.17789E-04      
  3      0.25580E+05            0.93170E-04      
  4      0.72444E+04            0.39299E-03      
  5      0.23624E+04            0.14009E-02      
  6      0.85183E+03            0.43803E-02      
  7      0.33092E+03            0.11513E-01      
  8      0.13618E+03            0.24237E-01      
  9      0.57925E+02            0.31197E-01      
 10      0.23384E+02           -0.12396E-01      
 11      0.10643E+02           -0.14609E+00      
 12      0.47068E+01           -0.16396E+00      
 13      0.15295E+01            0.34497E+00      
 14      0.60625E+00            0.50000E+00      
S   1
  1      0.10969E+00            1.0000000        
S   1
  1      0.40507E-01            1.0000000        
S   1
  1      0.13930E-01            1.0000000        
P   9
  1      0.25920E+04            0.88700E-03      
  2      0.61466E+03            0.75383E-02      
  3      0.19802E+03            0.39740E-01      
  4      0.74393E+02            0.14116E+00      
  5      0.30783E+02            0.33942E+00      
  6      0.13372E+02            0.50000E+00      
  7      0.59001E+01            0.34454E+00      
  8      0.24235E+01            0.58175E-01      
  9      0.10010E+01           -0.37322E-02      
P   9
  1      0.25920E+04           -0.24180E-03      
  2      0.61466E+03           -0.20664E-02      
  3      0.19802E+03           -0.11022E-01      
  4      0.74393E+02           -0.40313E-01      
  5      0.30783E+02           -0.10206E+00      
  6      0.13372E+02           -0.16003E+00      
  7      0.59001E+01           -0.60485E-01      
  8      0.24235E+01            0.33089E+00      
  9      0.10010E+01            0.50000E+00      
P   1
  1      0.38440E+00            1.0000000        
P   1
  1      0.84000E-01            1.0000000        
P   1
  1      0.17587E-01            1.0000000        
D   6
  1      0.10108E+03            0.31327E-02      
  2      0.29968E+02            0.23440E-01      
  3      0.11079E+02            0.97713E-01      
  4      0.43855E+01            0.26398E+00      
  5      0.18440E+01            0.43965E+00      
  6      0.75732E+00            0.50000E+00      
D   1
  1      0.29412E+00            1.0000000        
D   1
  1      0.10287E+00            1.0000000        
D   1
  1      0.33627E-01            1.0000000        
F   1
  1      2.669000E+00           1.0000000        
F   1
  1      0.593000E+00           1.0000000        
F   1
  1      0.70348E-01            1.0000000        
G   1
  1      1.352000E+00           1.0000000        
G   1
  1      0.87935E-01            1.0000000


name: aug-pc-2
description: N/A
elt: Cr
data:
CHROMIUM
S   14
  1      0.80766E+06            0.74527E-04      
  2      0.12095E+06            0.57936E-03      
  3      0.27517E+05            0.30382E-02      
  4      0.77916E+04            0.12683E-01      
  5      0.25405E+04            0.44592E-01      
  6      0.91599E+03            0.13192E+00      
  7      0.35583E+03            0.31053E+00      
  8      0.14641E+03            0.50000E+00      
  9      0.62248E+02            0.40766E+00      
 10      0.24761E+02            0.81755E-01      
 11      0.11458E+02           -0.92412E-02      
 12      0.51304E+01            0.33944E-02      
 13      0.17019E+01           -0.11063E-02      
 14      0.67172E+00            0.43306E-03      
S   14
  1      0.80766E+06           -0.14568E-04      
  2      0.12095E+06           -0.11336E-03      
  3      0.27517E+05           -0.59510E-03      
  4      0.77916E+04           -0.25012E-02      
  5      0.25405E+04           -0.89310E-02      
  6      0.91599E+03           -0.27635E-01      
  7      0.35583E+03           -0.72060E-01      
  8      0.14641E+03           -0.14565E+00      
  9      0.62248E+02           -0.17544E+00      
 10      0.24761E+02            0.77420E-01      
 11      0.11458E+02            0.50000E+00      
 12      0.51304E+01            0.37831E+00      
 13      0.17019E+01            0.30134E-01      
 14      0.67172E+00           -0.48775E-02      
S   14
  1      0.80766E+06            0.49425E-05      
  2      0.12095E+06            0.38566E-04      
  3      0.27517E+05            0.20169E-03      
  4      0.77916E+04            0.85280E-03      
  5      0.25405E+04            0.30302E-02      
  6      0.91599E+03            0.95042E-02      
  7      0.35583E+03            0.24806E-01      
  8      0.14641E+03            0.52337E-01      
  9      0.62248E+02            0.65061E-01      
 10      0.24761E+02           -0.30556E-01      
 11      0.11458E+02           -0.30075E+00      
 12      0.51304E+01           -0.28738E+00      
 13      0.17019E+01            0.50000E+00      
 14      0.67172E+00            0.47301E+00      
S   14
  1      0.80766E+06            0.23680E-05      
  2      0.12095E+06            0.18464E-04      
  3      0.27517E+05            0.96666E-04      
  4      0.77916E+04            0.40818E-03      
  5      0.25405E+04            0.14533E-02      
  6      0.91599E+03            0.45508E-02      
  7      0.35583E+03            0.11930E-01      
  8      0.14641E+03            0.25151E-01      
  9      0.62248E+02            0.31737E-01      
 10      0.24761E+02           -0.15563E-01      
 11      0.11458E+02           -0.15289E+00      
 12      0.51304E+01           -0.15970E+00      
 13      0.17019E+01            0.35169E+00      
 14      0.67172E+00            0.50000E+00      
S   1
  1      0.12084E+00            1.0000000        
S   1
  1      0.43700E-01            1.0000000        
S   1
  1      0.14738E-01            1.0000000        
P   9
  1      0.28517E+04            0.88268E-03      
  2      0.67624E+03            0.75086E-02      
  3      0.21795E+03            0.39637E-01      
  4      0.81950E+02            0.14120E+00      
  5      0.33948E+02            0.34041E+00      
  6      0.14787E+02            0.50000E+00      
  7      0.65529E+01            0.34164E+00      
  8      0.27106E+01            0.56950E-01      
  9      0.11196E+01           -0.34630E-02      
P   9
  1      0.28517E+04           -0.24424E-03      
  2      0.67624E+03           -0.20917E-02      
  3      0.21795E+03           -0.11162E-01      
  4      0.81950E+02           -0.41020E-01      
  5      0.33948E+02           -0.10408E+00      
  6      0.14787E+02           -0.16311E+00      
  7      0.65529E+01           -0.58440E-01      
  8      0.27106E+01            0.33683E+00      
  9      0.11196E+01            0.50000E+00      
P   1
  1      0.42997E+00            1.0000000        
P   1
  1      0.93000E-01            1.0000000        
P   1
  1      0.19281E-01            1.0000000        
D   6
  1      0.11350E+03            0.32189E-02      
  2      0.33691E+02            0.24294E-01      
  3      0.12504E+02            0.10131E+00      
  4      0.49861E+01            0.27190E+00      
  5      0.21037E+01            0.44726E+00      
  6      0.86548E+00            0.50000E+00      
D   1
  1      0.33585E+00            1.0000000        
D   1
  1      0.11682E+00            1.0000000        
D   1
  1      0.37989E-01            1.0000000        
F   1
  1      2.936000E+00           1.0000000        
F   1
  1      0.652000E+00           1.0000000        
F   1
  1      0.77125E-01            1.0000000        
G   1
  1      1.488000E+00           1.0000000        
G   1
  1      0.96406E-01            1.0000000


name: aug-pc-2
description: N/A
elt: Mn
data:
MANGANESE
S   14
  1      0.86191E+06            0.75730E-04      
  2      0.12913E+06            0.58820E-03      
  3      0.29393E+05            0.30830E-02      
  4      0.83249E+04            0.12864E-01      
  5      0.27148E+04            0.45200E-01      
  6      0.97889E+03            0.13351E+00      
  7      0.38027E+03            0.31327E+00      
  8      0.15646E+03            0.50000E+00      
  9      0.66496E+02            0.40034E+00      
 10      0.26012E+02            0.76761E-01      
 11      0.12205E+02           -0.10432E-01      
 12      0.55337E+01            0.37825E-02      
 13      0.18729E+01           -0.12179E-02      
 14      0.73615E+00            0.46295E-03      
S   14
  1      0.86191E+06           -0.14834E-04      
  2      0.12913E+06           -0.11536E-03      
  3      0.29393E+05           -0.60502E-03      
  4      0.83249E+04           -0.25437E-02      
  5      0.27148E+04           -0.90725E-02      
  6      0.97889E+03           -0.28084E-01      
  7      0.38027E+03           -0.73029E-01      
  8      0.15646E+03           -0.14733E+00      
  9      0.66496E+02           -0.17329E+00      
 10      0.26012E+02            0.93652E-01      
 11      0.12205E+02            0.50000E+00      
 12      0.55337E+01            0.35806E+00      
 13      0.18729E+01            0.27357E-01      
 14      0.73615E+00           -0.41983E-02      
S   14
  1      0.86191E+06            0.50226E-05      
  2      0.12913E+06            0.39181E-04      
  3      0.29393E+05            0.20463E-03      
  4      0.83249E+04            0.86592E-03      
  5      0.27148E+04            0.30717E-02      
  6      0.97889E+03            0.96471E-02      
  7      0.38027E+03            0.25096E-01      
  8      0.15646E+03            0.52972E-01      
  9      0.66496E+02            0.64256E-01      
 10      0.26012E+02           -0.37815E-01      
 11      0.12205E+02           -0.30744E+00      
 12      0.55337E+01           -0.26764E+00      
 13      0.18729E+01            0.50000E+00      
 14      0.73615E+00            0.45926E+00      
S   14
  1      0.86191E+06            0.24683E-05      
  2      0.12913E+06            0.19239E-04      
  3      0.29393E+05            0.10060E-03      
  4      0.83249E+04            0.42508E-03      
  5      0.27148E+04            0.15113E-02      
  6      0.97889E+03            0.47373E-02      
  7      0.38027E+03            0.12383E-01      
  8      0.15646E+03            0.26107E-01      
  9      0.66496E+02            0.32188E-01      
 10      0.26012E+02           -0.19772E-01      
 11      0.12205E+02           -0.16044E+00      
 12      0.55337E+01           -0.15334E+00      
 13      0.18729E+01            0.36075E+00      
 14      0.73615E+00            0.50000E+00      
S   1
  1      0.13129E+00            1.0000000        
S   1
  1      0.46573E-01            1.0000000        
S   1
  1      0.15426E-01            1.0000000        
P   9
  1      0.31181E+04            0.88145E-03      
  2      0.73946E+03            0.75043E-02      
  3      0.23838E+03            0.39669E-01      
  4      0.89677E+02            0.14169E+00      
  5      0.37179E+02            0.34206E+00      
  6      0.16234E+02            0.50000E+00      
  7      0.72235E+01            0.33811E+00      
  8      0.30054E+01            0.55493E-01      
  9      0.12407E+01           -0.32315E-02      
P   9
  1      0.31181E+04           -0.24702E-03      
  2      0.73946E+03           -0.21197E-02      
  3      0.23838E+03           -0.11318E-01      
  4      0.89677E+02           -0.41778E-01      
  5      0.37179E+02           -0.10610E+00      
  6      0.16234E+02           -0.16584E+00      
  7      0.72235E+01           -0.55706E-01      
  8      0.30054E+01            0.34269E+00      
  9      0.12407E+01            0.50000E+00      
P   1
  1      0.47623E+00            1.0000000        
P   1
  1      0.10400E+00            1.0000000        
P   1
  1      0.21761E-01            1.0000000        
D   6
  1      0.12860E+03            0.31897E-02      
  2      0.38203E+02            0.24383E-01      
  3      0.14221E+02            0.10241E+00      
  4      0.57084E+01            0.27473E+00      
  5      0.24213E+01            0.45063E+00      
  6      0.10011E+01            0.50000E+00      
D   1
  1      0.39050E+00            1.0000000        
D   1
  1      0.13618E+00            1.0000000        
D   1
  1      0.44397E-01            1.0000000        
F   1
  1      3.230000E+00           1.0000000        
F   1
  1      0.718000E+00           1.0000000        
F   1
  1      0.87046E-01            1.0000000        
G   1
  1      1.636000E+00           1.0000000        
G   1
  1      0.10881E+00            1.0000000


name: aug-pc-2
description: N/A
elt: Fe
data:
IRON
S   14
  1      0.92156E+06            0.76572E-04      
  2      0.13806E+06            0.59481E-03      
  3      0.31420E+05            0.31186E-02      
  4      0.88969E+04            0.13013E-01      
  5      0.29010E+04            0.45709E-01      
  6      0.10460E+04            0.13483E+00      
  7      0.40637E+03            0.31555E+00      
  8      0.16720E+03            0.50000E+00      
  9      0.71065E+02            0.39443E+00      
 10      0.27426E+02            0.72985E-01      
 11      0.12985E+02           -0.11304E-01      
 12      0.59480E+01            0.41045E-02      
 13      0.20537E+01           -0.13157E-02      
 14      0.80626E+00            0.48591E-03      
S   14
  1      0.92156E+06           -0.15017E-04      
  2      0.13806E+06           -0.11684E-03      
  3      0.31420E+05           -0.61271E-03      
  4      0.88969E+04           -0.25778E-02      
  5      0.29010E+04           -0.91870E-02      
  6      0.10460E+04           -0.28449E-01      
  7      0.40637E+03           -0.73807E-01      
  8      0.16720E+03           -0.14868E+00      
  9      0.71065E+02           -0.17136E+00      
 10      0.27426E+02            0.10816E+00      
 11      0.12985E+02            0.50000E+00      
 12      0.59480E+01            0.33969E+00      
 13      0.20537E+01            0.24909E-01      
 14      0.80626E+00           -0.36066E-02      
S   14
  1      0.92156E+06            0.50843E-05      
  2      0.13806E+06            0.39683E-04      
  3      0.31420E+05            0.20720E-03      
  4      0.88969E+04            0.87764E-03      
  5      0.29010E+04            0.31101E-02      
  6      0.10460E+04            0.97768E-02      
  7      0.40637E+03            0.25371E-01      
  8      0.16720E+03            0.53560E-01      
  9      0.71065E+02            0.63667E-01      
 10      0.27426E+02           -0.44674E-01      
 11      0.12985E+02           -0.31381E+00      
 12      0.59480E+01           -0.25027E+00      
 13      0.20537E+01            0.50000E+00      
 14      0.80626E+00            0.44820E+00      
S   14
  1      0.92156E+06            0.25597E-05      
  2      0.13806E+06            0.19960E-04      
  3      0.31420E+05            0.10436E-03      
  4      0.88969E+04            0.44129E-03      
  5      0.29010E+04            0.15678E-02      
  6      0.10460E+04            0.49173E-02      
  7      0.40637E+03            0.12829E-01      
  8      0.16720E+03            0.27035E-01      
  9      0.71065E+02            0.32715E-01      
 10      0.27426E+02           -0.23981E-01      
 11      0.12985E+02           -0.16791E+00      
 12      0.59480E+01           -0.14774E+00      
 13      0.20537E+01            0.37030E+00      
 14      0.80626E+00            0.50000E+00      
S   1
  1      0.14100E+00            1.0000000        
S   1
  1      0.49381E-01            1.0000000        
S   1
  1      0.16163E-01            1.0000000        
P   9
  1      0.34165E+04            0.87163E-03      
  2      0.81019E+03            0.74283E-02      
  3      0.26129E+03            0.39322E-01      
  4      0.98391E+02            0.14088E+00      
  5      0.40839E+02            0.34152E+00      
  6      0.17870E+02            0.50000E+00      
  7      0.79769E+01            0.33771E+00      
  8      0.33391E+01            0.55454E-01      
  9      0.13805E+01           -0.30556E-02      
P   9
  1      0.34165E+04           -0.24645E-03      
  2      0.81019E+03           -0.21184E-02      
  3      0.26129E+03           -0.11322E-01      
  4      0.98391E+02           -0.41965E-01      
  5      0.40839E+02           -0.10701E+00      
  6      0.17870E+02           -0.16777E+00      
  7      0.79769E+01           -0.55344E-01      
  8      0.33391E+01            0.34349E+00      
  9      0.13805E+01            0.50000E+00      
P   1
  1      0.52998E+00            1.0000000        
P   1
  1      0.11500E+00            1.0000000        
P   1
  1      0.23916E-01            1.0000000        
D   6
  1      0.13752E+03            0.35029E-02      
  2      0.40866E+02            0.26737E-01      
  3      0.15248E+02            0.11096E+00      
  4      0.61418E+01            0.29196E+00      
  5      0.25978E+01            0.46428E+00      
  6      0.10670E+01            0.50000E+00      
D   1
  1      0.41051E+00            1.0000000        
D   1
  1      0.14023E+00            1.0000000        
D   1
  1      0.44840E-01            1.0000000        
F   1
  1      3.553000E+00           1.0000000        
F   1
  1      0.789000E+00           1.0000000        
F   1
  1      0.95663E-01            1.0000000        
G   1
  1      1.800000E+00           1.0000000        
G   1
  1      0.11958E+00            1.0000000


name: aug-pc-2
description: N/A
elt: Co
data:
COBALT
S   14
  1      0.96756E+06            0.78814E-04      
  2      0.14492E+06            0.61231E-03      
  3      0.32982E+05            0.32094E-02      
  4      0.93406E+04            0.13385E-01      
  5      0.30458E+04            0.46967E-01      
  6      0.10984E+04            0.13808E+00      
  7      0.42693E+03            0.32080E+00      
  8      0.17585E+03            0.50000E+00      
  9      0.74851E+02            0.38302E+00      
 10      0.28371E+02            0.66704E-01      
 11      0.13524E+02           -0.12043E-01      
 12      0.62721E+01            0.44377E-02      
 13      0.22277E+01           -0.14264E-02      
 14      0.87368E+00            0.50811E-03      
S   14
  1      0.96756E+06           -0.15449E-04      
  2      0.14492E+06           -0.12027E-03      
  3      0.32982E+05           -0.63016E-03      
  4      0.93406E+04           -0.26525E-02      
  5      0.30458E+04           -0.94385E-02      
  6      0.10984E+04           -0.29214E-01      
  7      0.42693E+03           -0.75315E-01      
  8      0.17585E+03           -0.15066E+00      
  9      0.74851E+02           -0.16697E+00      
 10      0.28371E+02            0.13247E+00      
 11      0.13524E+02            0.50000E+00      
 12      0.62721E+01            0.31104E+00      
 13      0.22277E+01            0.21202E-01      
 14      0.87368E+00           -0.28156E-02      
S   14
  1      0.96756E+06            0.52150E-05      
  2      0.14492E+06            0.40728E-04      
  3      0.32982E+05            0.21247E-03      
  4      0.93406E+04            0.90045E-03      
  5      0.30458E+04            0.31860E-02      
  6      0.10984E+04            0.10014E-01      
  7      0.42693E+03            0.25833E-01      
  8      0.17585E+03            0.54238E-01      
  9      0.74851E+02            0.62059E-01      
 10      0.28371E+02           -0.56405E-01      
 11      0.13524E+02           -0.32171E+00      
 12      0.62721E+01           -0.22270E+00      
 13      0.22277E+01            0.50000E+00      
 14      0.87368E+00            0.43239E+00      
S   14
  1      0.96756E+06            0.27170E-05      
  2      0.14492E+06            0.21197E-04      
  3      0.32982E+05            0.11075E-03      
  4      0.93406E+04            0.46846E-03      
  5      0.30458E+04            0.16622E-02      
  6      0.10984E+04            0.52109E-02      
  7      0.42693E+03            0.13522E-01      
  8      0.17585E+03            0.28324E-01      
  9      0.74851E+02            0.33055E-01      
 10      0.28371E+02           -0.31353E-01      
 11      0.13524E+02           -0.17837E+00      
 12      0.62721E+01           -0.13736E+00      
 13      0.22277E+01            0.38420E+00      
 14      0.87368E+00            0.50000E+00      
S   1
  1      0.15030E+00            1.0000000        
S   1
  1      0.51867E-01            1.0000000        
S   1
  1      0.16743E-01            1.0000000        
P   9
  1      0.37192E+04            0.86636E-03      
  2      0.88183E+03            0.73917E-02      
  3      0.28444E+03            0.39186E-01      
  4      0.10717E+03            0.14074E+00      
  5      0.44524E+02            0.34198E+00      
  6      0.19521E+02            0.50000E+00      
  7      0.87403E+01            0.33602E+00      
  8      0.36776E+01            0.54856E-01      
  9      0.15215E+01           -0.28847E-02      
P   9
  1      0.37192E+04           -0.24710E-03      
  2      0.88183E+03           -0.21280E-02      
  3      0.28444E+03           -0.11384E-01      
  4      0.10717E+03           -0.42349E-01      
  5      0.44524E+02           -0.10822E+00      
  6      0.19521E+02           -0.16969E+00      
  7      0.87403E+01           -0.53963E-01      
  8      0.36776E+01            0.34573E+00      
  9      0.15215E+01            0.50000E+00      
P   1
  1      0.58405E+00            1.0000000        
P   1
  1      0.12700E+00            1.0000000        
P   1
  1      0.26465E-01            1.0000000        
D   6
  1      0.15258E+03            0.35162E-02      
  2      0.45365E+02            0.27079E-01      
  3      0.16950E+02            0.11311E+00      
  4      0.68539E+01            0.29625E+00      
  5      0.29059E+01            0.46795E+00      
  6      0.11952E+01            0.50000E+00      
D   1
  1      0.45954E+00            1.0000000        
D   1
  1      0.15661E+00            1.0000000        
D   1
  1      0.49966E-01            1.0000000        
F   1
  1      3.908000E+00           1.0000000        
F   1
  1      0.868000E+00           1.0000000        
F   1
  1      0.10586E+00            1.0000000        
G   1
  1      1.980000E+00           1.0000000        
G   1
  1      0.13232E+00            1.0000000


name: aug-pc-2
description: N/A
elt: Ni
data:
NICKEL
S   14
  1      0.10479E+07            0.78094E-04      
  2      0.15698E+06            0.60668E-03      
  3      0.35722E+05            0.31808E-02      
  4      0.10116E+05            0.13264E-01      
  5      0.32994E+04            0.46543E-01      
  6      0.11900E+04            0.13699E+00      
  7      0.46238E+03            0.31927E+00      
  8      0.19028E+03            0.50000E+00      
  9      0.80898E+02            0.38474E+00      
 10      0.30558E+02            0.67120E-01      
 11      0.14586E+02           -0.12409E-01      
 12      0.67810E+01            0.45951E-02      
 13      0.24231E+01           -0.14745E-02      
 14      0.94839E+00            0.51800E-03      
S   14
  1      0.10479E+07           -0.15315E-04      
  2      0.15698E+06           -0.11922E-03      
  3      0.35722E+05           -0.62481E-03      
  4      0.10116E+05           -0.26298E-02      
  5      0.32994E+04           -0.93563E-02      
  6      0.11900E+04           -0.28990E-01      
  7      0.46238E+03           -0.74944E-01      
  8      0.19028E+03           -0.15064E+00      
  9      0.80898E+02           -0.16762E+00      
 10      0.30558E+02            0.13477E+00      
 11      0.14586E+02            0.50000E+00      
 12      0.67810E+01            0.30505E+00      
 13      0.24231E+01            0.20277E-01      
 14      0.94839E+00           -0.26096E-02      
S   14
  1      0.10479E+07            0.51816E-05      
  2      0.15698E+06            0.40470E-04      
  3      0.35722E+05            0.21115E-03      
  4      0.10116E+05            0.89493E-03      
  5      0.32994E+04            0.31654E-02      
  6      0.11900E+04            0.99628E-02      
  7      0.46238E+03            0.25766E-01      
  8      0.19028E+03            0.54401E-01      
  9      0.80898E+02            0.62491E-01      
 10      0.30558E+02           -0.57781E-01      
 11      0.14586E+02           -0.32536E+00      
 12      0.67810E+01           -0.21534E+00      
 13      0.24231E+01            0.50000E+00      
 14      0.94839E+00            0.42709E+00      
S   14
  1      0.10479E+07            0.27340E-05      
  2      0.15698E+06            0.21330E-04      
  3      0.35722E+05            0.11147E-03      
  4      0.10116E+05            0.47147E-03      
  5      0.32994E+04            0.16727E-02      
  6      0.11900E+04            0.52496E-02      
  7      0.46238E+03            0.13661E-01      
  8      0.19028E+03            0.28765E-01      
  9      0.80898E+02            0.33729E-01      
 10      0.30558E+02           -0.32601E-01      
 11      0.14586E+02           -0.18261E+00      
 12      0.67810E+01           -0.13490E+00      
 13      0.24231E+01            0.38887E+00      
 14      0.94839E+00            0.50000E+00      
S   1
  1      0.16016E+00            1.0000000        
S   1
  1      0.54522E-01            1.0000000        
S   1
  1      0.17377E-01            1.0000000        
P   9
  1      0.40303E+04            0.86284E-03      
  2      0.95576E+03            0.73640E-02      
  3      0.30841E+03            0.39076E-01      
  4      0.11627E+03            0.14069E+00      
  5      0.48335E+02            0.34262E+00      
  6      0.21225E+02            0.50000E+00      
  7      0.95284E+01            0.33408E+00      
  8      0.40263E+01            0.54103E-01      
  9      0.16663E+01           -0.27318E-02      
P   9
  1      0.40303E+04           -0.24814E-03      
  2      0.95576E+03           -0.21393E-02      
  3      0.30841E+03           -0.11449E-01      
  4      0.11627E+03           -0.42745E-01      
  5      0.48335E+02           -0.10945E+00      
  6      0.21225E+02           -0.17154E+00      
  7      0.95284E+01           -0.52313E-01      
  8      0.40263E+01            0.34845E+00      
  9      0.16663E+01            0.50000E+00      
P   1
  1      0.63946E+00            1.0000000        
P   1
  1      0.13900E+00            1.0000000        
P   1
  1      0.28956E-01            1.0000000        
D   6
  1      0.16700E+03            0.35821E-02      
  2      0.49689E+02            0.27735E-01      
  3      0.18599E+02            0.11600E+00      
  4      0.75479E+01            0.30189E+00      
  5      0.32046E+01            0.47235E+00      
  6      0.13183E+01            0.50000E+00      
D   1
  1      0.50595E+00            1.0000000        
D   1
  1      0.17165E+00            1.0000000        
D   1
  1      0.54537E-01            1.0000000        
F   1
  1      4.299000E+00           1.0000000        
F   1
  1      0.955000E+00           1.0000000        
F   1
  1      0.11582E+00            1.0000000        
G   1
  1      2.178000E+00           1.0000000        
G   1
  1      0.14478E+00            1.0000000


name: aug-pc-2
description: N/A
elt: Cu
data:
COPPER
S   14
  1      0.11164E+07            0.78650E-04      
  2      0.16725E+06            0.61087E-03      
  3      0.38065E+05            0.32022E-02      
  4      0.10780E+05            0.13354E-01      
  5      0.35154E+04            0.46858E-01      
  6      0.12677E+04            0.13783E+00      
  7      0.49263E+03            0.32069E+00      
  8      0.20277E+03            0.50000E+00      
  9      0.86247E+02            0.38116E+00      
 10      0.32368E+02            0.65069E-01      
 11      0.15459E+02           -0.12629E-01      
 12      0.72184E+01            0.47307E-02      
 13      0.26139E+01           -0.15241E-02      
 14      0.10221E+01            0.52554E-03      
S   14
  1      0.11164E+07           -0.15411E-04      
  2      0.16725E+06           -0.11996E-03      
  3      0.38065E+05           -0.62846E-03      
  4      0.10780E+05           -0.26462E-02      
  5      0.35154E+04           -0.94128E-02      
  6      0.12677E+04           -0.29174E-01      
  7      0.49263E+03           -0.75324E-01      
  8      0.20277E+03           -0.15127E+00      
  9      0.86247E+02           -0.16608E+00      
 10      0.32368E+02            0.14515E+00      
 11      0.15459E+02            0.50000E+00      
 12      0.72184E+01            0.29072E+00      
 13      0.26139E+01            0.18369E-01      
 14      0.10221E+01           -0.22409E-02      
S   14
  1      0.11164E+07            0.52154E-05      
  2      0.16725E+06            0.40732E-04      
  3      0.38065E+05            0.21243E-03      
  4      0.10780E+05            0.90076E-03      
  5      0.35154E+04            0.31854E-02      
  6      0.12677E+04            0.10030E-01      
  7      0.49263E+03            0.25914E-01      
  8      0.20277E+03            0.54704E-01      
  9      0.86247E+02            0.62048E-01      
 10      0.32368E+02           -0.63144E-01      
 11      0.15459E+02           -0.33030E+00      
 12      0.72184E+01           -0.19995E+00      
 13      0.26139E+01            0.50000E+00      
 14      0.10221E+01            0.41776E+00      
S   14
  1      0.11164E+07            0.28094E-05      
  2      0.16725E+06            0.21914E-04      
  3      0.38065E+05            0.11450E-03      
  4      0.10780E+05            0.48439E-03      
  5      0.35154E+04            0.17187E-02      
  6      0.12677E+04            0.53946E-02      
  7      0.49263E+03            0.14031E-01      
  8      0.20277E+03            0.29522E-01      
  9      0.86247E+02            0.34225E-01      
 10      0.32368E+02           -0.36427E-01      
 11      0.15459E+02           -0.18925E+00      
 12      0.72184E+01           -0.12880E+00      
 13      0.26139E+01            0.39761E+00      
 14      0.10221E+01            0.50000E+00      
S   1
  1      0.17048E+00            1.0000000        
S   1
  1      0.57247E-01            1.0000000        
S   1
  1      0.18013E-01            1.0000000        
P   9
  1      0.43498E+04            0.86105E-03      
  2      0.10314E+04            0.73546E-02      
  3      0.33286E+03            0.39067E-01      
  4      0.12554E+03            0.14092E+00      
  5      0.52221E+02            0.34367E+00      
  6      0.22965E+02            0.50000E+00      
  7      0.10335E+02            0.33169E+00      
  8      0.43823E+01            0.53155E-01      
  9      0.18139E+01           -0.26014E-02      
P   9
  1      0.43498E+04           -0.24965E-03      
  2      0.10314E+04           -0.21556E-02      
  3      0.33286E+03           -0.11542E-01      
  4      0.12554E+03           -0.43226E-01      
  5      0.52221E+02           -0.11080E+00      
  6      0.22965E+02           -0.17338E+00      
  7      0.10335E+02           -0.50208E-01      
  8      0.43823E+01            0.35188E+00      
  9      0.18139E+01            0.50000E+00      
P   1
  1      0.69599E+00            1.0000000        
P   1
  1      0.15100E+00            1.0000000        
P   1
  1      0.31398E-01            1.0000000        
D   6
  1      0.18135E+03            0.36674E-02      
  2      0.53991E+02            0.28508E-01      
  3      0.20245E+02            0.11913E+00      
  4      0.82422E+01            0.30788E+00      
  5      0.35016E+01            0.47688E+00      
  6      0.14393E+01            0.50000E+00      
D   1
  1      0.55085E+00            1.0000000        
D   1
  1      0.18576E+00            1.0000000        
D   1
  1      0.58686E-01            1.0000000        
F   1
  1      4.729000E+00           1.0000000        
F   1
  1      1.051000E+00           1.0000000        
F   1
  1      0.12559E+00            1.0000000        
G   1
  1      2.396000E+00           1.0000000        
G   1
  1      0.15699E+00            1.0000000


name: aug-pc-2
description: N/A
elt: Zn
data:
ZINC
S   14
  1      0.11901E+07            0.78957E-04      
  2      0.17830E+06            0.61326E-03      
  3      0.40577E+05            0.32150E-02      
  4      0.11491E+05            0.13405E-01      
  5      0.37475E+04            0.47032E-01      
  6      0.13515E+04            0.13828E+00      
  7      0.52524E+03            0.32149E+00      
  8      0.21622E+03            0.50000E+00      
  9      0.91996E+02            0.37895E+00      
 10      0.34364E+02            0.63734E-01      
 11      0.16409E+02           -0.12787E-01      
 12      0.76823E+01            0.48346E-02      
 13      0.28091E+01           -0.15628E-02      
 14      0.10969E+01            0.53066E-03      
S   14
  1      0.11901E+07           -0.15455E-04      
  2      0.17830E+06           -0.12032E-03      
  3      0.40577E+05           -0.63030E-03      
  4      0.11491E+05           -0.26543E-02      
  5      0.37475E+04           -0.94387E-02      
  6      0.13515E+04           -0.29263E-01      
  7      0.52524E+03           -0.75509E-01      
  8      0.21622E+03           -0.15165E+00      
  9      0.91996E+02           -0.16501E+00      
 10      0.34364E+02            0.15296E+00      
 11      0.16409E+02            0.50000E+00      
 12      0.76823E+01            0.27914E+00      
 13      0.28091E+01            0.16796E-01      
 14      0.10969E+01           -0.19523E-02      
S   14
  1      0.11901E+07            0.52315E-05      
  2      0.17830E+06            0.40862E-04      
  3      0.40577E+05            0.21310E-03      
  4      0.11491E+05            0.90371E-03      
  5      0.37475E+04            0.31951E-02      
  6      0.13515E+04            0.10065E-01      
  7      0.52524E+03            0.25993E-01      
  8      0.21622E+03            0.54902E-01      
  9      0.91996E+02            0.61763E-01      
 10      0.34364E+02           -0.67319E-01      
 11      0.16409E+02           -0.33433E+00      
 12      0.76823E+01           -0.18676E+00      
 13      0.28091E+01            0.50000E+00      
 14      0.10969E+01            0.40944E+00      
S   14
  1      0.11901E+07            0.28706E-05      
  2      0.17830E+06            0.22392E-04      
  3      0.40577E+05            0.11700E-03      
  4      0.11491E+05            0.49498E-03      
  5      0.37475E+04            0.17561E-02      
  6      0.13515E+04            0.55131E-02      
  7      0.52524E+03            0.14338E-01      
  8      0.21622E+03            0.30175E-01      
  9      0.91996E+02            0.34726E-01      
 10      0.34364E+02           -0.39583E-01      
 11      0.16409E+02           -0.19514E+00      
 12      0.76823E+01           -0.12320E+00      
 13      0.28091E+01            0.40501E+00      
 14      0.10969E+01            0.50000E+00      
S   1
  1      0.18046E+00            1.0000000        
S   1
  1      0.59809E-01            1.0000000        
S   1
  1      0.18590E-01            1.0000000        
P   9
  1      0.46734E+04            0.86176E-03      
  2      0.11081E+04            0.73635E-02      
  3      0.35774E+03            0.39130E-01      
  4      0.13498E+03            0.14135E+00      
  5      0.56181E+02            0.34500E+00      
  6      0.24737E+02            0.50000E+00      
  7      0.11156E+02            0.32879E+00      
  8      0.47453E+01            0.51984E-01      
  9      0.19641E+01           -0.24665E-02      
P   9
  1      0.46734E+04           -0.25182E-03      
  2      0.11081E+04           -0.21767E-02      
  3      0.35774E+03           -0.11655E-01      
  4      0.13498E+03           -0.43758E-01      
  5      0.56181E+02           -0.11224E+00      
  6      0.24737E+02           -0.17516E+00      
  7      0.11156E+02           -0.47670E-01      
  8      0.47453E+01            0.35560E+00      
  9      0.19641E+01            0.50000E+00      
P   1
  1      0.75326E+00            1.0000000        
P   1
  1      0.16400E+00            1.0000000        
P   1
  1      0.34216E-01            1.0000000        
D   6
  1      0.19735E+03            0.37017E-02      
  2      0.58790E+02            0.28918E-01      
  3      0.22083E+02            0.12096E+00      
  4      0.90194E+01            0.31146E+00      
  5      0.38374E+01            0.47966E+00      
  6      0.15784E+01            0.50000E+00      
D   1
  1      0.60396E+00            1.0000000        
D   1
  1      0.20327E+00            1.0000000        
D   1
  1      0.64097E-01            1.0000000        
F   1
  1      5.201000E+00           1.0000000        
F   1
  1      1.156000E+00           1.0000000        
F   1
  1      0.13687E+00            1.0000000        
G   1
  1      2.635000E+00           1.0000000        
G   1
  1      0.17108E+00            1.0000000


name: aug-pc-1
description: N/A
elt: H
data:
HYDROGEN
S   3
  1      0.122520E+02           0.228220E-01     
  2      0.186870E+01           0.155640E+00     
  3      0.418210E+00           0.488980E+00     
S   1
  1      0.106100E+00           1.0000000        
S   1
  1      0.256280E-01           1.0000000        
P   1
  1      0.100000E+01           1.0000000        
P   1
  1      0.768840E-01           1.0000000


name: aug-pc-1
description: N/A
elt: He
data:
HELIUM
S   3
  1      0.368650E+02           0.130620E-01     
  2      0.558020E+01           0.834910E-01     
  3      0.119170E+01           0.238740E+00     
S   1
  1      0.268920E+00           1.0000000        
S   1
  1      0.580700E-01           1.0000000        
P   1
  1      0.145000E+01           1.0000000        
P   1
  1      0.174200E+00           1.0000000


name: aug-pc-1
description: N/A
elt: Li
data:
LITHIUM
S   5
  1      0.266430E+03           0.652680E-02     
  2      0.401600E+02           0.480650E-01     
  3      0.910820E+01           0.200950E+00     
  4      0.245430E+01           0.470070E+00     
  5      0.696260E+00           0.431300E+00     
S   5
  1      0.401600E+02           0.110220E-04     
  2      0.910820E+01          -0.268490E-02     
  3      0.245430E+01          -0.187110E-01     
  4      0.696260E+00          -0.889480E-01     
  5      0.837260E-01           0.518360E+00     
S   1
  1      0.308270E-01           1.0000000        
S   1
  1      0.105700E-01           1.0000000        
P   2
  1      0.162000E+01           0.416551E-01     
  2      0.320000E+00           0.110445E+00     
P   1
  1      0.900000E-01           1.0000000        
P   1
  1      0.317100E-01           1.0000000


name: aug-pc-1
description: N/A
elt: Be
data:
BERYLLIUM
S   5
  1      0.514900E+03           0.300310E-02     
  2      0.775580E+02           0.222430E-01     
  3      0.176090E+02           0.954340E-01     
  4      0.480800E+01           0.232280E+00     
  5      0.140850E+01           0.221040E+00     
S   5
  1      0.775580E+02          -0.960000E-04     
  2      0.176090E+02          -0.121790E-02     
  3      0.480800E+01          -0.136990E-01     
  4      0.140850E+01          -0.421590E-01     
  5      0.190690E+00           0.261850E+00     
S   1
  1      0.611250E-01           1.0000000        
S   1
  1      0.184100E-01           1.0000000        
P   2
  1      0.342000E+01           0.493519E-01     
  2      0.680000E+00           0.189821E+00     
P   1
  1      0.190000E+00           1.0000000        
P   1
  1      0.552300E-01           1.0000000


name: aug-pc-1
description: N/A
elt: B
data:
BORON
S   5
  1      0.843980E+03           0.573610E-02     
  2      0.127080E+03           0.426250E-01     
  3      0.288620E+02           0.185760E+00     
  4      0.792970E+01           0.462580E+00     
  5      0.236370E+01           0.446460E+00     
S   5
  1      0.127080E+03          -0.233030E-03     
  2      0.288620E+02          -0.254790E-02     
  3      0.792970E+01          -0.309280E-01     
  4      0.236370E+01          -0.869560E-01     
  5      0.346700E+00           0.530620E+00     
S   1
  1      0.105950E+00           1.0000000        
S   1
  1      0.305200E-01           1.0000000        
P   3
  1      0.581280E+01           0.430840E-01     
  2      0.120020E+01           0.222950E+00     
  3      0.326860E+00           0.509770E+00     
P   1
  1      0.862640E-01           1.0000000        
P   1
  1      0.216300E-01           1.0000000        
D   1
  1      0.700000E+00           1.0000000        
D   1
  1      0.648800E-01           1.0000000


name: aug-pc-1
description: N/A
elt: C
data:
CARBON
S   5
  1      0.125260E+04           0.557360E-02     
  2      0.188570E+03           0.414960E-01     
  3      0.428390E+02           0.182630E+00     
  4      0.118180E+02           0.461290E+00     
  5      0.355670E+01           0.449310E+00     
S   5
  1      0.188570E+03          -0.274400E-03     
  2      0.428390E+02          -0.255830E-02     
  3      0.118180E+02          -0.333750E-01     
  4      0.355670E+01          -0.873050E-01     
  5      0.542580E+00           0.534150E+00     
S   1
  1      0.160580E+00           1.0000000        
S   1
  1      0.448560E-01           1.0000000        
P   3
  1      0.914260E+01           0.444990E-01     
  2      0.192980E+01           0.231080E+00     
  3      0.525220E+00           0.512270E+00     
P   1
  1      0.136080E+00           1.0000000        
P   1
  1      0.335180E-01           1.0000000        
D   1
  1      0.800000E+00           1.0000000        
D   1
  1      0.100550E+00           1.0000000


name: aug-pc-1
description: N/A
elt: N
data:
NITROGEN
S   5
  1      0.174220E+04           0.546030E-02     
  2      0.262210E+03           0.407060E-01     
  3      0.595850E+02           0.180380E+00     
  4      0.164890E+02           0.460090E+00     
  5      0.499450E+01           0.451730E+00     
S   5
  1      0.262210E+03          -0.301040E-03     
  2      0.595850E+02          -0.255110E-02     
  3      0.164890E+02          -0.349000E-01     
  4      0.499450E+01          -0.874290E-01     
  5      0.786730E+00           0.526600E+00     
S   1
  1      0.228370E+00           1.0000000        
S   1
  1      0.627390E-01           1.0000000        
P   3
  1      0.131320E+02           0.455150E-01     
  2      0.281080E+01           0.237400E+00     
  3      0.763510E+00           0.513920E+00     
P   1
  1      0.195600E+00           1.0000000        
P   1
  1      0.477070E-01           1.0000000        
D   1
  1      0.900000E+00           1.0000000        
D   1
  1      0.143120E+00           1.0000000


name: aug-pc-1
description: N/A
elt: O
data:
OXYGEN
S   5
  1      0.230670E+04           0.539400E-02     
  2      0.347150E+03           0.402480E-01     
  3      0.788900E+02           0.179210E+00     
  4      0.218760E+02           0.459780E+00     
  5      0.666460E+01           0.452340E+00     
S   5
  1      0.347150E+03          -0.316920E-03     
  2      0.788900E+02          -0.259440E-02     
  3      0.218760E+02          -0.362410E-01     
  4      0.666460E+01          -0.877900E-01     
  5      0.106690E+01           0.533200E+00     
S   1
  1      0.307000E+00           1.0000000        
S   1
  1      0.834250E-01           1.0000000        
P   3
  1      0.170220E+02           0.489190E-01     
  2      0.368380E+01           0.249620E+00     
  3      0.992340E+00           0.513470E+00     
P   1
  1      0.244870E+00           1.0000000        
P   1
  1      0.576160E-01           1.0000000        
D   1
  1      0.100000E+01           1.0000000        
D   1
  1      0.172850E+00           1.0000000


name: aug-pc-1
description: N/A
elt: F
data:
FLUORINE
S   5
  1      0.295460E+04           0.533370E-02     
  2      0.444620E+03           0.398270E-01     
  3      0.101050E+03           0.178020E+00     
  4      0.280680E+02           0.459170E+00     
  5      0.858370E+01           0.453520E+00     
S   5
  1      0.444620E+03          -0.329620E-03     
  2      0.101050E+03          -0.260830E-02     
  3      0.280680E+02          -0.371500E-01     
  4      0.858370E+01          -0.881780E-01     
  5      0.139860E+01           0.531350E+00     
S   1
  1      0.399690E+00           1.0000000        
S   1
  1      0.108020E+00           1.0000000        
P   3
  1      0.218830E+02           0.502440E-01     
  2      0.477690E+01           0.254240E+00     
  3      0.128230E+01           0.512200E+00     
P   1
  1      0.311270E+00           1.0000000        
P   1
  1      0.720540E-01           1.0000000        
D   1
  1      0.110000E+01           1.0000000        
D   1
  1      0.216160E+00           1.0000000


name: aug-pc-1
description: N/A
elt: Ne
data:
NEON
S   5
  1      0.368010E+04           0.264540E-02     
  2      0.553750E+03           0.197630E-01     
  3      0.125870E+03           0.885900E-01     
  4      0.350130E+02           0.229360E+00     
  5      0.107390E+02           0.227170E+00     
S   5
  1      0.553750E+03          -0.172090E-03     
  2      0.125870E+03          -0.130160E-02     
  3      0.350130E+02          -0.189800E-01     
  4      0.107390E+02          -0.440080E-01     
  5      0.176930E+01           0.265250E+00     
S   1
  1      0.501490E+00           1.0000000        
S   1
  1      0.134500E+00           1.0000000        
P   3
  1      0.275020E+02           0.254770E-01     
  2      0.603970E+01           0.128550E+00     
  3      0.161900E+01           0.255860E+00     
P   1
  1      0.389700E+00           1.0000000        
P   1
  1      0.895000E-01           1.0000000        
D   1
  1      0.120000E+01           1.0000000        
D   1
  1      0.268500E+00           1.0000000


name: aug-pc-1
description: N/A
elt: Na
data:
SODIUM
S   8
  1      0.232070E+05           0.681000E-03     
  2      0.348160E+04           0.525120E-02     
  3      0.792720E+03           0.268450E-01     
  4      0.224590E+03           0.101880E+00     
  5      0.730880E+02           0.277840E+00     
  6      0.261900E+02           0.444890E+00     
  7      0.986610E+01           0.282060E+00     
  8      0.221550E+01           0.206850E-01     
S   8
  1      0.348160E+04          -0.293230E-04     
  2      0.792720E+03          -0.322020E-04     
  3      0.224590E+03          -0.214850E-02     
  4      0.730880E+02          -0.931570E-02     
  5      0.261900E+02          -0.670710E-01     
  6      0.986610E+01          -0.567890E-01     
  7      0.221550E+01           0.536080E+00     
  8      0.685900E+00           0.597880E+00     
S   8
  1      0.792720E+03          -0.132450E-05     
  2      0.224590E+03          -0.143840E-04     
  3      0.730880E+02          -0.136870E-03     
  4      0.261900E+02          -0.487990E-03     
  5      0.986610E+01          -0.287730E-03     
  6      0.221550E+01          -0.101780E-01     
  7      0.685900E+00          -0.111180E+00     
  8      0.703370E-01           0.593140E+00     
S   1
  1      0.260750E-01           1.0000000        
S   1
  1      0.900100E-02           1.0000000        
P   6
  1      0.135550E+03           0.617590E-02     
  2      0.315620E+02           0.453150E-01     
  3      0.967740E+01           0.173320E+00     
  4      0.336910E+01           0.368670E+00     
  5      0.117030E+01           0.439980E+00     
  6      0.376510E+00           0.226130E+00     
P   1
  1      0.750000E-01           1.0000000        
P   1
  1      0.250000E-01           1.0000000


name: aug-pc-1
description: N/A
elt: Mg
data:
MAGNESIUM
S   8
  1      0.287060E+05           0.325130E-03     
  2      0.430660E+04           0.250760E-02     
  3      0.980540E+03           0.128370E-01     
  4      0.277760E+03           0.489640E-01     
  5      0.903860E+02           0.135170E+00     
  6      0.323740E+02           0.221930E+00     
  7      0.121770E+02           0.146570E+00     
  8      0.281660E+01           0.119800E-01     
S   8
  1      0.430660E+04          -0.130560E-04     
  2      0.980540E+03          -0.179800E-04     
  3      0.277760E+03          -0.100360E-02     
  4      0.903860E+02          -0.468190E-02     
  5      0.323740E+02          -0.330510E-01     
  6      0.121770E+02          -0.327180E-01     
  7      0.281660E+01           0.260390E+00     
  8      0.921730E+00           0.308080E+00     
S   8
  1      0.980540E+03           0.116270E-05     
  2      0.277760E+03           0.135090E-04     
  3      0.903860E+02           0.135420E-03     
  4      0.323740E+02           0.753600E-03     
  5      0.121770E+02           0.150980E-02     
  6      0.281660E+01          -0.190680E-01     
  7      0.921730E+00          -0.752410E-01     
  8      0.127090E+00           0.271610E+00     
S   1
  1      0.460800E-01           1.0000000        
S   1
  1      0.155800E-01           1.0000000        
P   6
  1      0.177600E+03           0.282590E-02     
  2      0.414420E+02           0.211030E-01     
  3      0.128180E+02           0.826660E-01     
  4      0.451740E+01           0.182850E+00     
  5      0.161280E+01           0.223570E+00     
  6      0.545310E+00           0.108690E+00     
P   1
  1      0.135000E+00           1.0000000        
P   1
  1      0.450000E-01           1.0000000


name: aug-pc-1
description: N/A
elt: Al
data:
ALUMINUM
S   8
  1      0.347020E+05           0.627780E-03     
  2      0.520590E+04           0.484320E-02     
  3      0.118520E+04           0.248170E-01     
  4      0.335700E+03           0.950280E-01     
  5      0.109230E+03           0.264740E+00     
  6      0.391200E+02           0.442740E+00     
  7      0.147090E+02           0.301340E+00     
  8      0.348960E+01           0.268170E-01     
S   8
  1      0.520590E+04          -0.238790E-04     
  2      0.118520E+04          -0.393660E-04     
  3      0.335700E+03          -0.191680E-02     
  4      0.109230E+03          -0.943620E-02     
  5      0.391200E+02          -0.657390E-01     
  6      0.147090E+02          -0.722320E-01     
  7      0.348960E+01           0.509240E+00     
  8      0.119360E+01           0.629720E+00     
S   8
  1      0.118520E+04           0.451280E-05     
  2      0.335700E+03           0.532260E-04     
  3      0.109230E+03           0.533330E-03     
  4      0.391200E+02           0.287540E-02     
  5      0.147090E+02           0.567340E-02     
  6      0.348960E+01          -0.581330E-01     
  7      0.119360E+01          -0.187530E+00     
  8      0.195850E+00           0.585700E+00     
S   1
  1      0.714390E-01           1.0000000        
S   1
  1      0.242900E-01           1.0000000        
P   6
  1      0.254360E+03           0.429030E-02     
  2      0.595140E+02           0.330550E-01     
  3      0.187080E+02           0.134860E+00     
  4      0.673620E+01           0.328360E+00     
  5      0.250450E+01           0.447980E+00     
  6      0.908200E+00           0.270400E+00     
P   6
  1      0.595140E+02           0.107560E-03     
  2      0.187080E+02          -0.819810E-03     
  3      0.673620E+01          -0.142160E-02     
  4      0.250450E+01          -0.149300E-01     
  5      0.908200E+00           0.437790E-01     
  6      0.209090E+00           0.490390E+00     
P   1
  1      0.569900E-01           1.0000000        
P   1
  1      0.147300E-01           1.0000000        
D   1
  1      0.400000E+00           1.0000000        
D   1
  1      0.441900E-01           1.0000000


name: aug-pc-1
description: N/A
elt: Si
data:
SILICON
S   8
  1      0.412630E+05           0.609480E-03     
  2      0.618960E+04           0.470400E-02     
  3      0.140870E+04           0.241360E-01     
  4      0.398770E+03           0.927620E-01     
  5      0.129690E+03           0.260470E+00     
  6      0.464250E+02           0.441810E+00     
  7      0.174550E+02           0.307550E+00     
  8      0.422220E+01           0.291970E-01     
S   8
  1      0.618960E+04          -0.224590E-04     
  2      0.140870E+04          -0.417600E-04     
  3      0.398770E+03          -0.185700E-02     
  4      0.129690E+03          -0.951130E-02     
  5      0.464250E+02          -0.658000E-01     
  6      0.174550E+02          -0.775460E-01     
  7      0.422220E+01           0.503030E+00     
  8      0.149330E+01           0.638240E+00     
S   8
  1      0.140870E+04           0.603140E-05     
  2      0.398770E+03           0.742780E-04     
  3      0.129690E+03           0.740230E-03     
  4      0.464250E+02           0.401070E-02     
  5      0.174550E+02           0.801370E-02     
  6      0.422220E+01          -0.740910E-01     
  7      0.149330E+01          -0.213820E+00     
  8      0.271740E+00           0.612630E+00     
S   1
  1      0.985020E-01           1.0000000        
S   1
  1      0.332930E-01           1.0000000        
P   6
  1      0.310730E+03           0.411980E-02     
  2      0.728230E+02           0.319810E-01     
  3      0.229850E+02           0.132240E+00     
  4      0.832130E+01           0.327790E+00     
  5      0.313530E+01           0.451070E+00     
  6      0.116930E+01           0.263450E+00     
P   6
  1      0.728230E+02           0.126370E-03     
  2      0.229850E+02          -0.102520E-02     
  3      0.832130E+01          -0.213370E-02     
  4      0.313530E+01          -0.187740E-01     
  5      0.116930E+01           0.575280E-01     
  6      0.292810E+00           0.535710E+00     
P   1
  1      0.827040E-01           1.0000000        
P   1
  1      0.221110E-01           1.0000000        
D   1
  1      0.450000E+00           1.0000000        
D   1
  1      0.663320E-01           1.0000000


name: aug-pc-1
description: N/A
elt: P
data:
PHOSPHORUS
S   8
  1      0.480730E+05           0.599190E-03     
  2      0.721140E+04           0.462410E-02     
  3      0.164170E+04           0.237240E-01     
  4      0.464920E+03           0.913030E-01     
  5      0.151280E+03           0.257500E+00     
  6      0.541890E+02           0.440800E+00     
  7      0.203970E+02           0.311750E+00     
  8      0.502410E+01           0.311180E-01     
S   8
  1      0.721140E+04          -0.213090E-04     
  2      0.164170E+04          -0.442150E-04     
  3      0.464920E+03          -0.182210E-02     
  4      0.151280E+03          -0.963660E-02     
  5      0.541890E+02          -0.660720E-01     
  6      0.203970E+02          -0.818240E-01     
  7      0.502410E+01           0.498500E+00     
  8      0.182460E+01           0.644920E+00     
S   8
  1      0.164170E+04           0.713400E-05     
  2      0.464920E+03           0.845000E-04     
  3      0.151280E+03           0.859190E-03     
  4      0.541890E+02           0.464780E-02     
  5      0.203970E+02           0.958110E-02     
  6      0.502410E+01          -0.840660E-01     
  7      0.182460E+01          -0.231240E+00     
  8      0.358710E+00           0.623500E+00     
S   1
  1      0.128870E+00           1.0000000        
S   1
  1      0.431940E-01           1.0000000        
P   6
  1      0.366240E+03           0.409770E-02     
  2      0.859310E+02           0.319560E-01     
  3      0.271720E+02           0.133260E+00     
  4      0.986850E+01           0.332280E+00     
  5      0.375330E+01           0.453350E+00     
  6      0.143020E+01           0.250580E+00     
P   6
  1      0.859310E+02           0.125060E-03     
  2      0.271720E+02          -0.121660E-02     
  3      0.986850E+01          -0.318130E-02     
  4      0.375330E+01          -0.214750E-01     
  5      0.143020E+01           0.699910E-01     
  6      0.386530E+00           0.560810E+00     
P   1
  1      0.111460E+00           1.0000000        
P   1
  1      0.303860E-01           1.0000000        
D   1
  1      0.500000E+00           1.0000000        
D   1
  1      0.911570E-01           1.0000000


name: aug-pc-1
description: N/A
elt: S
data:
SULFUR
S   8
  1      0.555100E+05           0.588990E-03     
  2      0.832670E+04           0.454600E-02     
  3      0.189560E+04           0.233350E-01     
  4      0.536770E+03           0.899650E-01     
  5      0.174670E+03           0.254860E+00     
  6      0.625780E+02           0.439980E+00     
  7      0.235730E+02           0.315490E+00     
  8      0.589080E+01           0.328260E-01     
S   8
  1      0.832670E+04          -0.204800E-04     
  2      0.189560E+04          -0.454290E-04     
  3      0.536770E+03          -0.179370E-02     
  4      0.174670E+03          -0.972520E-02     
  5      0.625780E+02          -0.663990E-01     
  6      0.235730E+02          -0.855020E-01     
  7      0.589080E+01           0.495880E+00     
  8      0.218520E+01           0.649880E+00     
S   8
  1      0.189560E+04           0.834610E-05     
  2      0.536770E+03           0.983060E-04     
  3      0.174670E+03           0.100400E-02     
  4      0.625780E+02           0.544090E-02     
  5      0.235730E+02           0.114000E-01     
  6      0.589080E+01          -0.951340E-01     
  7      0.218520E+01          -0.247350E+00     
  8      0.452820E+00           0.639730E+00     
S   1
  1      0.162020E+00           1.0000000        
S   1
  1      0.541000E-01           1.0000000        
P   6
  1      0.395450E+03           0.462660E-02     
  2      0.928340E+02           0.358980E-01     
  3      0.292660E+02           0.148540E+00     
  4      0.105950E+02           0.358780E+00     
  5      0.402720E+01           0.454170E+00     
  6      0.154840E+01           0.205450E+00     
P   6
  1      0.928340E+02           0.109340E-03     
  2      0.292660E+02          -0.163580E-02     
  3      0.105950E+02          -0.506320E-02     
  4      0.402720E+01          -0.239600E-01     
  5      0.154840E+01           0.103880E+00     
  6      0.461340E+00           0.580630E+00     
P   1
  1      0.131310E+00           1.0000000        
P   1
  1      0.353640E-01           1.0000000        
D   1
  1      0.550000E+00           1.0000000        
D   1
  1      0.106090E+00           1.0000000


name: aug-pc-1
description: N/A
elt: Cl
data:
CHLORINE
S   8
  1      0.634740E+05           0.580280E-03     
  2      0.952130E+04           0.447920E-02     
  3      0.216740E+04           0.230000E-01     
  4      0.613740E+03           0.888150E-01     
  5      0.199720E+03           0.252580E+00     
  6      0.715640E+02           0.439210E+00     
  7      0.269790E+02           0.318680E+00     
  8      0.682600E+01           0.343480E-01     
S   8
  1      0.952130E+04          -0.198240E-04     
  2      0.216740E+04          -0.471990E-04     
  3      0.613740E+03          -0.177130E-02     
  4      0.199720E+03          -0.980680E-02     
  5      0.715640E+02          -0.667190E-01     
  6      0.269790E+02          -0.887110E-01     
  7      0.682600E+01           0.493960E+00     
  8      0.257670E+01           0.653920E+00     
S   8
  1      0.216740E+04           0.905840E-05     
  2      0.613740E+03           0.106950E-03     
  3      0.199720E+03           0.109810E-02     
  4      0.715640E+02           0.598980E-02     
  5      0.269790E+02           0.127620E-01     
  6      0.682600E+01          -0.103070E+00     
  7      0.257670E+01          -0.259410E+00     
  8      0.557520E+00           0.648990E+00     
S   1
  1      0.198250E+00           1.0000000        
S   1
  1      0.658160E-01           1.0000000        
P   6
  1      0.413120E+03           0.542510E-02     
  2      0.970540E+02           0.416440E-01     
  3      0.304820E+02           0.169900E+00     
  4      0.109620E+02           0.392750E+00     
  5      0.412760E+01           0.450450E+00     
  6      0.153380E+01           0.153080E+00     
P   6
  1      0.970540E+02          -0.173560E-05     
  2      0.304820E+02          -0.214410E-02     
  3      0.109620E+02          -0.912980E-02     
  4      0.412760E+01          -0.199060E-01     
  5      0.153380E+01           0.155820E+00     
  6      0.514390E+00           0.587720E+00     
P   1
  1      0.150260E+00           1.0000000        
P   1
  1      0.414670E-01           1.0000000        
D   1
  1      0.600000E+00           1.0000000        
D   1
  1      0.124400E+00           1.0000000


name: aug-pc-1
description: N/A
elt: Ar
data:
ARGON
S   8
  1      0.719560E+05           0.286430E-03     
  2      0.107930E+05           0.221120E-02     
  3      0.245700E+04           0.113580E-01     
  4      0.695720E+03           0.439160E-01     
  5      0.226400E+03           0.125310E+00     
  6      0.811380E+02           0.219270E+00     
  7      0.306120E+02           0.160710E+00     
  8      0.782910E+01           0.178490E-01     
S   8
  1      0.107930E+05          -0.961360E-05     
  2      0.245700E+04          -0.241440E-04     
  3      0.695720E+03          -0.875700E-03     
  4      0.226400E+03          -0.493760E-02     
  5      0.811380E+02          -0.335120E-01     
  6      0.306120E+02          -0.457640E-01     
  7      0.782910E+01           0.246330E+00     
  8      0.299870E+01           0.328630E+00     
S   8
  1      0.245700E+04           0.478540E-05     
  2      0.695720E+03           0.575820E-04     
  3      0.226400E+03           0.589720E-03     
  4      0.811380E+02           0.323990E-02     
  5      0.306120E+02           0.698140E-02     
  6      0.782910E+01          -0.549180E-01     
  7      0.299870E+01          -0.134720E+00     
  8      0.672420E+00           0.327340E+00     
S   1
  1      0.237190E+00           1.0000000        
S   1
  1      0.781500E-01           1.0000000        
P   6
  1      0.446270E+03           0.296130E-02     
  2      0.104940E+03           0.225910E-01     
  3      0.329310E+02           0.915240E-01     
  4      0.118090E+02           0.206420E+00     
  5      0.443040E+01           0.221950E+00     
  6      0.157510E+01           0.627650E-01     
P   6
  1      0.104940E+03          -0.608230E-04     
  2      0.329310E+02          -0.126610E-02     
  3      0.118090E+02          -0.645890E-02     
  4      0.443040E+01          -0.651050E-02     
  5      0.157510E+01           0.104360E+00     
  6      0.564120E+00           0.291840E+00     
P   1
  1      0.170150E+00           1.0000000        
P   1
  1      0.483900E-01           1.0000000        
D   1
  1      0.650000E+00           1.0000000        
D   1
  1      0.145200E+00           1.0000000


name: aug-pc-1
description: N/A
elt: K
data:
POTASSIUM
S   11
  1      0.36920E+05            0.17096E-02      
  2      0.55431E+04            0.13126E-01      
  3      0.12617E+04            0.65206E-01      
  4      0.35644E+03            0.22936E+00      
  5      0.11498E+03            0.50000E+00      
  6      0.39799E+02            0.45639E+00      
  7      0.93908E+01            0.55338E-01      
  8      0.37003E+01           -0.17976E-01      
  9      0.90184E+00            0.66003E-02      
 10      0.35945E+00           -0.32499E-02      
 11      0.51305E-01            0.97714E-03      
S   11
  1      0.36920E+05           -0.31803E-03      
  2      0.55431E+04           -0.24304E-02      
  3      0.12617E+04           -0.12558E-01      
  4      0.35644E+03           -0.46554E-01      
  5      0.11498E+03           -0.12973E+00      
  6      0.39799E+02           -0.16667E+00      
  7      0.93908E+01            0.30274E+00      
  8      0.37003E+01            0.50000E+00      
  9      0.90184E+00            0.59484E-01      
 10      0.35945E+00           -0.16159E-01      
 11      0.51305E-01            0.40164E-02      
S   11
  1      0.36920E+05            0.10768E-03      
  2      0.55431E+04            0.82424E-03      
  3      0.12617E+04            0.42625E-02      
  4      0.35644E+03            0.15957E-01      
  5      0.11498E+03            0.45300E-01      
  6      0.39799E+02            0.62079E-01      
  7      0.93908E+01           -0.14874E+00      
  8      0.37003E+01           -0.35347E+00      
  9      0.90184E+00            0.35925E+00      
 10      0.35945E+00            0.50000E+00      
 11      0.51305E-01            0.35955E-01      
S   11
  1      0.36920E+05           -0.35203E-04      
  2      0.55431E+04           -0.26979E-03      
  3      0.12617E+04           -0.13931E-02      
  4      0.35644E+03           -0.52322E-02      
  5      0.11498E+03           -0.14834E-01      
  6      0.39799E+02           -0.20590E-01      
  7      0.93908E+01            0.50971E-01      
  8      0.37003E+01            0.12504E+00      
  9      0.90184E+00           -0.15224E+00      
 10      0.35945E+00           -0.35519E+00      
 11      0.51305E-01            0.50000E+00      
S   1
  1      0.21816E-01            1.0000000        
S   1
  1      0.85499E-02            1.0000000        
P   8
  1      0.54895E+03            0.56544E-02      
  2      0.12915E+03            0.43836E-01      
  3      0.40756E+02            0.18189E+00      
  4      0.14757E+02            0.43060E+00      
  5      0.56369E+01            0.50000E+00      
  6      0.21257E+01            0.16847E+00      
  7      0.77149E+00           -0.26789E-02      
  8      0.24800E+00            0.20758E-02      
P   8
  1      0.54895E+03           -0.13592E-02      
  2      0.12915E+03           -0.10602E-01      
  3      0.40756E+02           -0.45732E-01      
  4      0.14757E+02           -0.11381E+00      
  5      0.56369E+01           -0.13700E+00      
  6      0.21257E+01            0.10418E+00      
  7      0.77149E+00            0.50000E+00      
  8      0.24800E+00            0.33907E+00      
P   1
  1      0.49600E-01            1.0000000        
P   1
  1      0.12400E-01            1.0000000        
D   3
  1      0.52550E+01            0.79368E-01      
  2      0.12390E+01            0.29549E+00      
  3      0.30600E+00            0.50000E+00      
D   1
  1      0.61100E-01            1.0000000        
D   1
  1      0.11732E-01            1.0000000


name: aug-pc-1
description: N/A
elt: Ca
data:
CALCIUM
S   11
  1      0.41453E+05            0.16916E-02      
  2      0.62237E+04            0.12990E-01      
  3      0.14166E+04            0.64592E-01      
  4      0.40021E+03            0.22782E+00      
  5      0.12915E+03            0.50000E+00      
  6      0.44746E+02            0.46257E+00      
  7      0.10731E+02            0.58920E-01      
  8      0.43008E+01           -0.19683E-01      
  9      0.11146E+01            0.78320E-02      
 10      0.46686E+00           -0.40583E-02      
 11      0.82168E-01            0.12566E-02      
S   11
  1      0.41453E+05           -0.31255E-03      
  2      0.62237E+04           -0.23910E-02      
  3      0.14166E+04           -0.12347E-01      
  4      0.40021E+03           -0.45970E-01      
  5      0.12915E+03           -0.12839E+00      
  6      0.44746E+02           -0.16840E+00      
  7      0.10731E+02            0.28768E+00      
  8      0.43008E+01            0.50000E+00      
  9      0.11146E+01            0.66735E-01      
 10      0.46686E+00           -0.18181E-01      
 11      0.82168E-01            0.45534E-02      
S   11
  1      0.41453E+05            0.10382E-03      
  2      0.62237E+04            0.79499E-03      
  3      0.14166E+04            0.41131E-02      
  4      0.40021E+03            0.15446E-01      
  5      0.12915E+03            0.44066E-01      
  6      0.44746E+02            0.61503E-01      
  7      0.10731E+02           -0.13873E+00      
  8      0.43008E+01           -0.35027E+00      
  9      0.11146E+01            0.30259E+00      
 10      0.46686E+00            0.50000E+00      
 11      0.82168E-01            0.40126E-01      
S   11
  1      0.41453E+05           -0.43481E-04      
  2      0.62237E+04           -0.33312E-03      
  3      0.14166E+04           -0.17229E-02      
  4      0.40021E+03           -0.64820E-02      
  5      0.12915E+03           -0.18517E-01      
  6      0.44746E+02           -0.26095E-01      
  7      0.10731E+02            0.60860E-01      
  8      0.43008E+01            0.16210E+00      
  9      0.11146E+01           -0.17623E+00      
 10      0.46686E+00           -0.44276E+00      
 11      0.82168E-01            0.50000E+00      
S   1
  1      0.33961E-01            1.0000000        
S   1
  1      0.12965E-01            1.0000000        
P   8
  1      0.65917E+03            0.49858E-02      
  2      0.15519E+03            0.39099E-01      
  3      0.49188E+02            0.16535E+00      
  4      0.17938E+02            0.40630E+00      
  5      0.69445E+01            0.50000E+00      
  6      0.27124E+01            0.19332E+00      
  7      0.99393E+00            0.24805E-02      
  8      0.33393E+00            0.12938E-02      
P   8
  1      0.65917E+03           -0.12673E-02      
  2      0.15519E+03           -0.99803E-02      
  3      0.49188E+02           -0.43937E-01      
  4      0.17938E+02           -0.11319E+00      
  5      0.69445E+01           -0.14772E+00      
  6      0.27124E+01            0.76959E-01      
  7      0.99393E+00            0.50000E+00      
  8      0.33393E+00            0.33874E+00      
P   1
  1      0.66800E-01            1.0000000        
P   1
  1      0.16700E-01            1.0000000        
D   3
  1      0.76500E+01            0.75428E-01      
  2      0.18710E+01            0.29372E+00      
  3      0.50000E+00            0.50000E+00      
D   1
  1      0.11300E+00            1.0000000        
D   1
  1      0.24434E-01            1.0000000


name: aug-pc-1
description: N/A
elt: Sc
data:
SCANDIUM
S   11
  1      0.46097E+05            0.16801E-02      
  2      0.69207E+04            0.12903E-01      
  3      0.15752E+04            0.64202E-01      
  4      0.44504E+03            0.22687E+00      
  5      0.14366E+03            0.50000E+00      
  6      0.49826E+02            0.46630E+00      
  7      0.12081E+02            0.60942E-01      
  8      0.48928E+01           -0.20424E-01      
  9      0.13008E+01            0.80989E-02      
 10      0.54357E+00           -0.41264E-02      
 11      0.96961E-01            0.12409E-02      
S   11
  1      0.46097E+05           -0.31045E-03      
  2      0.69207E+04           -0.23762E-02      
  3      0.15752E+04           -0.12270E-01      
  4      0.44504E+03           -0.45802E-01      
  5      0.14366E+03           -0.12824E+00      
  6      0.49826E+02           -0.17009E+00      
  7      0.12081E+02            0.28137E+00      
  8      0.48928E+01            0.50000E+00      
  9      0.13008E+01            0.68068E-01      
 10      0.54357E+00           -0.17790E-01      
 11      0.96961E-01            0.43168E-02      
S   11
  1      0.46097E+05            0.10427E-03      
  2      0.69207E+04            0.79883E-03      
  3      0.15752E+04            0.41331E-02      
  4      0.44504E+03            0.15565E-01      
  5      0.14366E+03            0.44537E-01      
  6      0.49826E+02            0.62956E-01      
  7      0.12081E+02           -0.13838E+00      
  8      0.48928E+01           -0.35501E+00      
  9      0.13008E+01            0.29703E+00      
 10      0.54357E+00            0.50000E+00      
 11      0.96961E-01            0.39536E-01      
S   11
  1      0.46097E+05           -0.45804E-04      
  2      0.69207E+04           -0.35112E-03      
  3      0.15752E+04           -0.18159E-02      
  4      0.44504E+03           -0.68524E-02      
  5      0.14366E+03           -0.19632E-01      
  6      0.49826E+02           -0.28037E-01      
  7      0.12081E+02            0.63819E-01      
  8      0.48928E+01            0.17247E+00      
  9      0.13008E+01           -0.18094E+00      
 10      0.54357E+00           -0.46274E+00      
 11      0.96961E-01            0.50000E+00      
S   1
  1      0.38586E-01            1.0000000        
S   1
  1      0.14224E-01            1.0000000        
P   8
  1      0.74067E+03            0.49118E-02      
  2      0.17447E+03            0.38632E-01      
  3      0.55373E+02            0.16431E+00      
  4      0.20234E+02            0.40636E+00      
  5      0.78652E+01            0.50000E+00      
  6      0.30838E+01            0.19046E+00      
  7      0.11488E+01            0.17802E-02      
  8      0.39011E+00            0.14402E-02      
P   8
  1      0.74067E+03           -0.12764E-02      
  2      0.17447E+03           -0.10089E-01      
  3      0.55373E+02           -0.44688E-01      
  4      0.20234E+02           -0.11620E+00      
  5      0.78652E+01           -0.15096E+00      
  6      0.30838E+01            0.83789E-01      
  7      0.11488E+01            0.50000E+00      
  8      0.39011E+00            0.32895E+00      
P   1
  1      0.78000E-01            1.0000000        
P   1
  1      0.19500E-01            1.0000000        
D   5
  1      0.28824E+02            0.15986E-01      
  2      0.80588E+01            0.92287E-01      
  3      0.26663E+01            0.27811E+00      
  4      0.94173E+00            0.45725E+00      
  5      0.31064E+00            0.50000E+00      
D   1
  1      0.93444E-01            1.0000000        
D   1
  1      0.26514E-01            1.0000000        
F   1
  1      0.931000E+00           1.0000000        
F   1
  1      0.78000E-01            1.0000000


name: aug-pc-1
description: N/A
elt: Ti
data:
TITANIUM
S   11
  1      0.50936E+05            0.16712E-02      
  2      0.76471E+04            0.12836E-01      
  3      0.17406E+04            0.63898E-01      
  4      0.49177E+03            0.22615E+00      
  5      0.15879E+03            0.50000E+00      
  6      0.55129E+02            0.46917E+00      
  7      0.13483E+02            0.62437E-01      
  8      0.55039E+01           -0.20885E-01      
  9      0.14846E+01            0.81630E-02      
 10      0.61682E+00           -0.40607E-02      
 11      0.10679E+00            0.11820E-02      
S   11
  1      0.50936E+05           -0.30937E-03      
  2      0.76471E+04           -0.23686E-02      
  3      0.17406E+04           -0.12233E-01      
  4      0.49177E+03           -0.45751E-01      
  5      0.15879E+03           -0.12839E+00      
  6      0.55129E+02           -0.17166E+00      
  7      0.13483E+02            0.27780E+00      
  8      0.55039E+01            0.50000E+00      
  9      0.14846E+01            0.68150E-01      
 10      0.61682E+00           -0.17164E-01      
 11      0.10679E+00            0.40304E-02      
S   11
  1      0.50936E+05            0.10566E-03      
  2      0.76471E+04            0.80991E-03      
  3      0.17406E+04            0.41902E-02      
  4      0.49177E+03            0.15819E-01      
  5      0.15879E+03            0.45371E-01      
  6      0.55129E+02            0.64789E-01      
  7      0.13483E+02           -0.14031E+00      
  8      0.55039E+01           -0.36133E+00      
  9      0.14846E+01            0.30232E+00      
 10      0.61682E+00            0.50000E+00      
 11      0.10679E+00            0.37362E-01      
S   11
  1      0.50936E+05           -0.43149E-04      
  2      0.76471E+04           -0.33089E-03      
  3      0.17406E+04           -0.17115E-02      
  4      0.49177E+03           -0.64730E-02      
  5      0.15879E+03           -0.18597E-01      
  6      0.55129E+02           -0.26820E-01      
  7      0.13483E+02            0.60178E-01      
  8      0.55039E+01            0.16367E+00      
  9      0.14846E+01           -0.17289E+00      
 10      0.61682E+00           -0.42914E+00      
 11      0.10679E+00            0.50000E+00      
S   1
  1      0.41697E-01            1.0000000        
S   1
  1      0.15101E-01            1.0000000        
P   8
  1      0.82565E+03            0.48606E-02      
  2      0.19457E+03            0.38324E-01      
  3      0.61820E+02            0.16380E+00      
  4      0.22628E+02            0.40710E+00      
  5      0.88254E+01            0.50000E+00      
  6      0.34692E+01            0.18735E+00      
  7      0.13084E+01            0.10665E-02      
  8      0.44821E+00            0.15748E-02      
P   8
  1      0.82565E+03           -0.12854E-02      
  2      0.19457E+03           -0.10193E-01      
  3      0.61820E+02           -0.45384E-01      
  4      0.22628E+02           -0.11890E+00      
  5      0.88254E+01           -0.15349E+00      
  6      0.34692E+01            0.90834E-01      
  7      0.13084E+01            0.50000E+00      
  8      0.44821E+00            0.32095E+00      
P   1
  1      0.90000E-01            1.0000000        
P   1
  1      0.22500E-01            1.0000000        
D   5
  1      0.36191E+02            0.15178E-01      
  2      0.10203E+02            0.91318E-01      
  3      0.34312E+01            0.28210E+00      
  4      0.12439E+01            0.47267E+00      
  5      0.42753E+00            0.50000E+00      
D   1
  1      0.13088E+00            1.0000000        
D   1
  1      0.37758E-01            1.0000000        
F   1
  1      1.025000E+00           1.0000000        
F   1
  1      0.90000E-01            1.0000000


name: aug-pc-1
description: N/A
elt: V
data:
VANADIUM
S   11
  1      0.56021E+05            0.16631E-02      
  2      0.84104E+04            0.12774E-01      
  3      0.19143E+04            0.63621E-01      
  4      0.54087E+03            0.22548E+00      
  5      0.17469E+03            0.50000E+00      
  6      0.60705E+02            0.47179E+00      
  7      0.14963E+02            0.63791E-01      
  8      0.61493E+01           -0.21278E-01      
  9      0.16787E+01            0.82046E-02      
 10      0.69217E+00           -0.40035E-02      
 11      0.11834E+00            0.11382E-02      
S   11
  1      0.56021E+05           -0.30835E-03      
  2      0.84104E+04           -0.23614E-02      
  3      0.19143E+04           -0.12198E-01      
  4      0.54087E+03           -0.45700E-01      
  5      0.17469E+03           -0.12853E+00      
  6      0.60705E+02           -0.17308E+00      
  7      0.14963E+02            0.27467E+00      
  8      0.61493E+01            0.50000E+00      
  9      0.16787E+01            0.68191E-01      
 10      0.69217E+00           -0.16641E-01      
 11      0.11834E+00            0.38216E-02      
S   11
  1      0.56021E+05            0.10658E-03      
  2      0.84104E+04            0.81729E-03      
  3      0.19143E+04            0.42283E-02      
  4      0.54087E+03            0.15999E-01      
  5      0.17469E+03            0.45988E-01      
  6      0.60705E+02            0.66269E-01      
  7      0.14963E+02           -0.14162E+00      
  8      0.61493E+01           -0.36567E+00      
  9      0.16787E+01            0.30531E+00      
 10      0.69217E+00            0.50000E+00      
 11      0.11834E+00            0.36270E-01      
S   11
  1      0.56021E+05           -0.43198E-04      
  2      0.84104E+04           -0.33141E-03      
  3      0.19143E+04           -0.17142E-02      
  4      0.54087E+03           -0.64978E-02      
  5      0.17469E+03           -0.18711E-01      
  6      0.60705E+02           -0.27232E-01      
  7      0.14963E+02            0.60326E-01      
  8      0.61493E+01            0.16444E+00      
  9      0.16787E+01           -0.17286E+00      
 10      0.69217E+00           -0.42545E+00      
 11      0.11834E+00            0.50000E+00      
S   1
  1      0.45042E-01            1.0000000        
S   1
  1      0.15931E-01            1.0000000        
P   8
  1      0.91263E+03            0.48403E-02      
  2      0.21515E+03            0.38235E-01      
  3      0.68419E+02            0.16406E+00      
  4      0.25078E+02            0.40897E+00      
  5      0.98054E+01            0.50000E+00      
  6      0.38576E+01            0.18332E+00      
  7      0.14678E+01            0.22075E-03      
  8      0.50494E+00            0.17067E-02      
P   8
  1      0.91263E+03           -0.12972E-02      
  2      0.21515E+03           -0.10314E-01      
  3      0.68419E+02           -0.46113E-01      
  4      0.25078E+02           -0.12147E+00      
  5      0.98054E+01           -0.15528E+00      
  6      0.38576E+01            0.99152E-01      
  7      0.14678E+01            0.50000E+00      
  8      0.50494E+00            0.31456E+00      
P   1
  1      0.10100E+00            1.0000000        
P   1
  1      0.25250E-01            1.0000000        
D   5
  1      0.42114E+02            0.15285E-01      
  2      0.11937E+02            0.93427E-01      
  3      0.40535E+01            0.28907E+00      
  4      0.14829E+01            0.48212E+00      
  5      0.51467E+00            0.50000E+00      
D   1
  1      0.15805E+00            1.0000000        
D   1
  1      0.45727E-01            1.0000000        
F   1
  1      1.127000E+00           1.0000000        
F   1
  1      0.10100E+00            1.0000000


name: aug-pc-1
description: N/A
elt: Cr
data:
CHROMIUM
S   11
  1      0.61342E+05            0.16558E-02      
  2      0.92093E+04            0.12719E-01      
  3      0.20961E+04            0.63371E-01      
  4      0.59227E+03            0.22488E+00      
  5      0.19134E+03            0.50000E+00      
  6      0.66546E+02            0.47416E+00      
  7      0.16518E+02            0.64994E-01      
  8      0.68267E+01           -0.21602E-01      
  9      0.18813E+01            0.82213E-02      
 10      0.76988E+00           -0.39429E-02      
 11      0.13007E+00            0.10981E-02      
S   11
  1      0.61342E+05           -0.30748E-03      
  2      0.92093E+04           -0.23551E-02      
  3      0.20961E+04           -0.12168E-01      
  4      0.59227E+03           -0.45657E-01      
  5      0.19134E+03           -0.12867E+00      
  6      0.66546E+02           -0.17437E+00      
  7      0.16518E+02            0.27205E+00      
  8      0.68267E+01            0.50000E+00      
  9      0.18813E+01            0.68119E-01      
 10      0.76988E+00           -0.16178E-01      
 11      0.13007E+00            0.36455E-02      
S   11
  1      0.61342E+05            0.10737E-03      
  2      0.92093E+04            0.82365E-03      
  3      0.20961E+04            0.42611E-02      
  4      0.59227E+03            0.16156E-01      
  5      0.19134E+03            0.46532E-01      
  6      0.66546E+02            0.67598E-01      
  7      0.16518E+02           -0.14286E+00      
  8      0.68267E+01           -0.36925E+00      
  9      0.18813E+01            0.30824E+00      
 10      0.76988E+00            0.50000E+00      
 11      0.13007E+00            0.35372E-01      
S   11
  1      0.61342E+05           -0.43371E-04      
  2      0.92093E+04           -0.33286E-03      
  3      0.20961E+04           -0.17216E-02      
  4      0.59227E+03           -0.65394E-02      
  5      0.19134E+03           -0.18869E-01      
  6      0.66546E+02           -0.27688E-01      
  7      0.16518E+02            0.60681E-01      
  8      0.68267E+01            0.16543E+00      
  9      0.18813E+01           -0.17326E+00      
 10      0.76988E+00           -0.42327E+00      
 11      0.13007E+00            0.50000E+00      
S   1
  1      0.48340E-01            1.0000000        
S   1
  1      0.16723E-01            1.0000000        
P   8
  1      0.10037E+04            0.48250E-02      
  2      0.23670E+03            0.38176E-01      
  3      0.75332E+02            0.16437E+00      
  4      0.27647E+02            0.41083E+00      
  5      0.10833E+02            0.50000E+00      
  6      0.42639E+01            0.17965E+00      
  7      0.16324E+01           -0.50012E-03      
  8      0.56312E+00            0.18135E-02      
P   8
  1      0.10037E+04           -0.13074E-02      
  2      0.23670E+03           -0.10420E-01      
  3      0.75332E+02           -0.46757E-01      
  4      0.27647E+02           -0.12375E+00      
  5      0.10833E+02           -0.15671E+00      
  6      0.42639E+01            0.10700E+00      
  7      0.16324E+01            0.50000E+00      
  8      0.56312E+00            0.30920E+00      
P   1
  1      0.11300E+00            1.0000000        
P   1
  1      0.28250E-01            1.0000000        
D   5
  1      0.47803E+02            0.15631E-01      
  2      0.13607E+02            0.96382E-01      
  3      0.46543E+01            0.29741E+00      
  4      0.17104E+01            0.49093E+00      
  5      0.59548E+00            0.50000E+00      
D   1
  1      0.18222E+00            1.0000000        
D   1
  1      0.52543E-01            1.0000000        
F   1
  1      1.240000E+00           1.0000000        
F   1
  1      0.11300E+00            1.0000000


name: aug-pc-1
description: N/A
elt: Mn
data:
MANGANESE
S   11
  1      0.66883E+05            0.16496E-02      
  2      0.10041E+05            0.12673E-01      
  3      0.22854E+04            0.63161E-01      
  4      0.64577E+03            0.22438E+00      
  5      0.20867E+03            0.50000E+00      
  6      0.72632E+02            0.47613E+00      
  7      0.18137E+02            0.65974E-01      
  8      0.75308E+01           -0.21827E-01      
  9      0.20877E+01            0.81889E-02      
 10      0.84772E+00           -0.38622E-02      
 11      0.14062E+00            0.10537E-02      
S   11
  1      0.66883E+05           -0.30694E-03      
  2      0.10041E+05           -0.23515E-02      
  3      0.22854E+04           -0.12151E-01      
  4      0.64577E+03           -0.45653E-01      
  5      0.20867E+03           -0.12891E+00      
  6      0.72632E+02           -0.17555E+00      
  7      0.18137E+02            0.27037E+00      
  8      0.75308E+01            0.50000E+00      
  9      0.20877E+01            0.67731E-01      
 10      0.84772E+00           -0.15724E-01      
 11      0.14062E+00            0.34788E-02      
S   11
  1      0.66883E+05            0.10832E-03      
  2      0.10041E+05            0.83125E-03      
  3      0.22854E+04            0.43002E-02      
  4      0.64577E+03            0.16334E-01      
  5      0.20867E+03            0.47126E-01      
  6      0.72632E+02            0.68935E-01      
  7      0.18137E+02           -0.14464E+00      
  8      0.75308E+01           -0.37274E+00      
  9      0.20877E+01            0.31332E+00      
 10      0.84772E+00            0.50000E+00      
 11      0.14062E+00            0.34371E-01      
S   11
  1      0.66883E+05           -0.42848E-04      
  2      0.10041E+05           -0.32896E-03      
  3      0.22854E+04           -0.17015E-02      
  4      0.64577E+03           -0.64744E-02      
  5      0.20867E+03           -0.18716E-01      
  6      0.72632E+02           -0.27651E-01      
  7      0.18137E+02            0.60165E-01      
  8      0.75308E+01            0.16353E+00      
  9      0.20877E+01           -0.17208E+00      
 10      0.84772E+00           -0.41451E+00      
 11      0.14062E+00            0.50000E+00      
S   1
  1      0.51188E-01            1.0000000        
S   1
  1      0.17369E-01            1.0000000        
P   8
  1      0.10996E+04            0.48064E-02      
  2      0.25940E+03            0.38093E-01      
  3      0.82614E+02            0.16457E+00      
  4      0.30354E+02            0.41239E+00      
  5      0.11916E+02            0.50000E+00      
  6      0.46921E+01            0.17653E+00      
  7      0.18031E+01           -0.10643E-02      
  8      0.62276E+00            0.18879E-02      
P   8
  1      0.10996E+04           -0.13142E-02      
  2      0.25940E+03           -0.10500E-01      
  3      0.82614E+02           -0.47279E-01      
  4      0.30354E+02           -0.12570E+00      
  5      0.11916E+02           -0.15785E+00      
  6      0.46921E+01            0.11397E+00      
  7      0.18031E+01            0.50000E+00      
  8      0.62276E+00            0.30505E+00      
P   1
  1      0.12500E+00            1.0000000        
P   1
  1      0.31250E-01            1.0000000        
D   5
  1      0.54249E+02            0.15643E-01      
  2      0.15506E+02            0.97445E-01      
  3      0.53408E+01            0.30131E+00      
  4      0.19744E+01            0.49562E+00      
  5      0.69159E+00            0.50000E+00      
D   1
  1      0.21227E+00            1.0000000        
D   1
  1      0.61386E-01            1.0000000        
F   1
  1      1.364000E+00           1.0000000        
F   1
  1      0.12500E+00            1.0000000


name: aug-pc-1
description: N/A
elt: Fe
data:
IRON
S   11
  1      0.72674E+05            0.16437E-02      
  2      0.10910E+05            0.12628E-01      
  3      0.24832E+04            0.62961E-01      
  4      0.70169E+03            0.22391E+00      
  5      0.22679E+03            0.50000E+00      
  6      0.78995E+02            0.47803E+00      
  7      0.19831E+02            0.66916E-01      
  8      0.82696E+01           -0.22057E-01      
  9      0.23063E+01            0.81784E-02      
 10      0.93170E+00           -0.37941E-02      
 11      0.15024E+00            0.10133E-02      
S   11
  1      0.72674E+05           -0.30640E-03      
  2      0.10910E+05           -0.23476E-02      
  3      0.24832E+04           -0.12134E-01      
  4      0.70169E+03           -0.45643E-01      
  5      0.22679E+03           -0.12912E+00      
  6      0.78995E+02           -0.17667E+00      
  7      0.19831E+02            0.26883E+00      
  8      0.82696E+01            0.50000E+00      
  9      0.23063E+01            0.67463E-01      
 10      0.93170E+00           -0.15317E-01      
 11      0.15024E+00            0.33196E-02      
S   11
  1      0.72674E+05            0.10907E-03      
  2      0.10910E+05            0.83726E-03      
  3      0.24832E+04            0.43315E-02      
  4      0.70169E+03            0.16480E-01      
  5      0.22679E+03            0.47631E-01      
  6      0.78995E+02            0.70110E-01      
  7      0.19831E+02           -0.14609E+00      
  8      0.82696E+01           -0.37577E+00      
  9      0.23063E+01            0.31704E+00      
 10      0.93170E+00            0.50000E+00      
 11      0.15024E+00            0.33172E-01      
S   11
  1      0.72674E+05           -0.41589E-04      
  2      0.10910E+05           -0.31939E-03      
  3      0.24832E+04           -0.16520E-02      
  4      0.70169E+03           -0.62966E-02      
  5      0.22679E+03           -0.18235E-01      
  6      0.78995E+02           -0.27113E-01      
  7      0.19831E+02            0.58629E-01      
  8      0.82696E+01            0.15885E+00      
  9      0.23063E+01           -0.16754E+00      
 10      0.93170E+00           -0.39911E+00      
 11      0.15024E+00            0.50000E+00      
S   1
  1      0.54170E-01            1.0000000        
S   1
  1      0.18218E-01            1.0000000        
P   8
  1      0.12020E+04            0.47750E-02      
  2      0.28364E+03            0.37903E-01      
  3      0.90406E+02            0.16429E+00      
  4      0.33260E+02            0.41298E+00      
  5      0.13085E+02            0.50000E+00      
  6      0.51607E+01            0.17479E+00      
  7      0.19893E+01           -0.13337E-02      
  8      0.68911E+00            0.19180E-02      
P   8
  1      0.12020E+04           -0.13166E-02      
  2      0.28364E+03           -0.10540E-01      
  3      0.90406E+02           -0.47628E-01      
  4      0.33260E+02           -0.12720E+00      
  5      0.13085E+02           -0.15904E+00      
  6      0.51607E+01            0.11869E+00      
  7      0.19893E+01            0.50000E+00      
  8      0.68911E+00            0.30103E+00      
P   1
  1      0.13800E+00            1.0000000        
P   1
  1      0.34500E-01            1.0000000        
D   5
  1      0.59117E+02            0.16422E-01      
  2      0.16934E+02            0.10218E+00      
  3      0.58526E+01            0.31138E+00      
  4      0.21589E+01            0.50000E+00      
  5      0.75023E+00            0.49302E+00      
D   1
  1      0.22643E+00            1.0000000        
D   1
  1      0.64451E-01            1.0000000        
F   1
  1      1.500000E+00           1.0000000        
F   1
  1      0.13800E+00            1.0000000


name: aug-pc-1
description: N/A
elt: Co
data:
COBALT
S   11
  1      0.78699E+05            0.16384E-02      
  2      0.11815E+05            0.12588E-01      
  3      0.26890E+04            0.62780E-01      
  4      0.75987E+03            0.22347E+00      
  5      0.24565E+03            0.50000E+00      
  6      0.85621E+02            0.47972E+00      
  7      0.21612E+02            0.67745E-01      
  8      0.90441E+01           -0.22202E-01      
  9      0.25329E+01            0.81277E-02      
 10      0.10173E+01           -0.37108E-02      
 11      0.15937E+00            0.96929E-03      
S   11
  1      0.78699E+05           -0.30577E-03      
  2      0.11815E+05           -0.23431E-02      
  3      0.26890E+04           -0.12113E-01      
  4      0.75987E+03           -0.45614E-01      
  5      0.24565E+03           -0.12925E+00      
  6      0.85621E+02           -0.17761E+00      
  7      0.21612E+02            0.26708E+00      
  8      0.90441E+01            0.50000E+00      
  9      0.25329E+01            0.67171E-01      
 10      0.10173E+01           -0.14949E-01      
 11      0.15937E+00            0.31734E-02      
S   11
  1      0.78699E+05            0.10972E-03      
  2      0.11815E+05            0.84247E-03      
  3      0.26890E+04            0.43583E-02      
  4      0.75987E+03            0.16607E-01      
  5      0.24565E+03            0.48073E-01      
  6      0.85621E+02            0.71172E-01      
  7      0.21612E+02           -0.14723E+00      
  8      0.90441E+01           -0.37836E+00      
  9      0.25329E+01            0.32049E+00      
 10      0.10173E+01            0.50000E+00      
 11      0.15937E+00            0.32125E-01      
S   11
  1      0.78699E+05           -0.40551E-04      
  2      0.11815E+05           -0.31152E-03      
  3      0.26890E+04           -0.16112E-02      
  4      0.75987E+03           -0.61508E-02      
  5      0.24565E+03           -0.17840E-01      
  6      0.85621E+02           -0.26684E-01      
  7      0.21612E+02            0.57311E-01      
  8      0.90441E+01            0.15489E+00      
  9      0.25329E+01           -0.16355E+00      
 10      0.10173E+01           -0.38609E+00      
 11      0.15937E+00            0.50000E+00      
S   1
  1      0.56766E-01            1.0000000        
S   1
  1      0.18875E-01            1.0000000        
P   8
  1      0.13093E+04            0.47440E-02      
  2      0.30905E+03            0.37714E-01      
  3      0.98576E+02            0.16398E+00      
  4      0.36310E+02            0.41343E+00      
  5      0.14314E+02            0.50000E+00      
  6      0.56545E+01            0.17339E+00      
  7      0.21834E+01           -0.15052E-02      
  8      0.75723E+00            0.19266E-02      
P   8
  1      0.13093E+04           -0.13174E-02      
  2      0.30905E+03           -0.10566E-01      
  3      0.98576E+02           -0.47907E-01      
  4      0.36310E+02           -0.12848E+00      
  5      0.14314E+02           -0.16009E+00      
  6      0.56545E+01            0.12274E+00      
  7      0.21834E+01            0.50000E+00      
  8      0.75723E+00            0.29839E+00      
P   1
  1      0.15100E+00            1.0000000        
P   1
  1      0.37750E-01            1.0000000        
D   5
  1      0.65359E+02            0.16567E-01      
  2      0.18770E+02            0.10363E+00      
  3      0.65162E+01            0.31428E+00      
  4      0.24082E+01            0.50000E+00      
  5      0.83633E+00            0.48889E+00      
D   1
  1      0.25129E+00            1.0000000        
D   1
  1      0.71225E-01            1.0000000        
F   1
  1      1.650000E+00           1.0000000        
F   1
  1      0.15100E+00            1.0000000


name: aug-pc-1
description: N/A
elt: Ni
data:
NICKEL
S   11
  1      0.84924E+05            0.16342E-02      
  2      0.12749E+05            0.12557E-01      
  3      0.29017E+04            0.62636E-01      
  4      0.82002E+03            0.22313E+00      
  5      0.26515E+03            0.50000E+00      
  6      0.92480E+02            0.48110E+00      
  7      0.23432E+02            0.68416E-01      
  8      0.98372E+01           -0.22360E-01      
  9      0.27655E+01            0.80967E-02      
 10      0.11044E+01           -0.36445E-02      
 11      0.16880E+00            0.93297E-03      
S   11
  1      0.84924E+05           -0.30583E-03      
  2      0.12749E+05           -0.23437E-02      
  3      0.29017E+04           -0.12118E-01      
  4      0.82002E+03           -0.45670E-01      
  5      0.26515E+03           -0.12963E+00      
  6      0.92480E+02           -0.17864E+00      
  7      0.23432E+02            0.26693E+00      
  8      0.98372E+01            0.50000E+00      
  9      0.27655E+01            0.66637E-01      
 10      0.11044E+01           -0.14562E-01      
 11      0.16880E+00            0.30326E-02      
S   11
  1      0.84924E+05            0.11055E-03      
  2      0.12749E+05            0.84906E-03      
  3      0.29017E+04            0.43924E-02      
  4      0.82002E+03            0.16758E-01      
  5      0.26515E+03            0.48580E-01      
  6      0.92480E+02            0.72246E-01      
  7      0.23432E+02           -0.14921E+00      
  8      0.98372E+01           -0.38082E+00      
  9      0.27655E+01            0.32539E+00      
 10      0.11044E+01            0.50000E+00      
 11      0.16880E+00            0.31142E-01      
S   11
  1      0.84924E+05           -0.39628E-04      
  2      0.12749E+05           -0.30449E-03      
  3      0.29017E+04           -0.15749E-02      
  4      0.82002E+03           -0.60196E-02      
  5      0.26515E+03           -0.17485E-01      
  6      0.92480E+02           -0.26271E-01      
  7      0.23432E+02            0.56353E-01      
  8      0.98372E+01            0.15112E+00      
  9      0.27655E+01           -0.16061E+00      
 10      0.11044E+01           -0.37418E+00      
 11      0.16880E+00            0.50000E+00      
S   1
  1      0.59341E-01            1.0000000        
S   1
  1      0.19490E-01            1.0000000        
P   8
  1      0.14204E+04            0.47199E-02      
  2      0.33535E+03            0.37579E-01      
  3      0.10702E+03            0.16387E+00      
  4      0.39460E+02            0.41416E+00      
  5      0.15581E+02            0.50000E+00      
  6      0.61606E+01            0.17172E+00      
  7      0.23825E+01           -0.17461E-02      
  8      0.82706E+00            0.19509E-02      
P   8
  1      0.14204E+04           -0.13190E-02      
  2      0.33535E+03           -0.10600E-01      
  3      0.10702E+03           -0.48207E-01      
  4      0.39460E+02           -0.12977E+00      
  5      0.15581E+02           -0.16094E+00      
  6      0.61606E+01            0.12707E+00      
  7      0.23825E+01            0.50000E+00      
  8      0.82706E+00            0.29581E+00      
P   1
  1      0.16500E+00            1.0000000        
P   1
  1      0.41250E-01            1.0000000        
D   5
  1      0.71754E+02            0.16731E-01      
  2      0.20656E+02            0.10506E+00      
  3      0.71983E+01            0.31711E+00      
  4      0.26637E+01            0.50000E+00      
  5      0.92414E+00            0.48492E+00      
D   1
  1      0.27627E+00            1.0000000        
D   1
  1      0.77931E-01            1.0000000        
F   1
  1      1.815000E+00           1.0000000        
F   1
  1      0.16500E+00            1.0000000


name: aug-pc-1
description: N/A
elt: Cu
data:
COPPER
S   11
  1      0.91409E+05            0.16300E-02      
  2      0.13723E+05            0.12525E-01      
  3      0.31233E+04            0.62490E-01      
  4      0.88266E+03            0.22278E+00      
  5      0.28546E+03            0.50000E+00      
  6      0.99624E+02            0.48248E+00      
  7      0.25346E+02            0.69085E-01      
  8      0.10671E+02           -0.22486E-01      
  9      0.30093E+01            0.80622E-02      
 10      0.11957E+01           -0.35853E-02      
 11      0.17913E+00            0.90153E-03      
S   11
  1      0.91409E+05           -0.30554E-03      
  2      0.13723E+05           -0.23416E-02      
  3      0.31233E+04           -0.12110E-01      
  4      0.88266E+03           -0.45677E-01      
  5      0.28546E+03           -0.12984E+00      
  6      0.99624E+02           -0.17951E+00      
  7      0.25346E+02            0.26606E+00      
  8      0.10671E+02            0.50000E+00      
  9      0.30093E+01            0.66289E-01      
 10      0.11957E+01           -0.14265E-01      
 11      0.17913E+00            0.29219E-02      
S   11
  1      0.91409E+05            0.11114E-03      
  2      0.13723E+05            0.85377E-03      
  3      0.31233E+04            0.44167E-02      
  4      0.88266E+03            0.16872E-01      
  5      0.28546E+03            0.48976E-01      
  6      0.99624E+02            0.73167E-01      
  7      0.25346E+02           -0.15052E+00      
  8      0.10671E+02           -0.38278E+00      
  9      0.30093E+01            0.32868E+00      
 10      0.11957E+01            0.50000E+00      
 11      0.17913E+00            0.30391E-01      
S   11
  1      0.91409E+05           -0.39027E-04      
  2      0.13723E+05           -0.29994E-03      
  3      0.31233E+04           -0.15514E-02      
  4      0.88266E+03           -0.59371E-02      
  5      0.28546E+03           -0.17269E-01      
  6      0.99624E+02           -0.26065E-01      
  7      0.25346E+02            0.55702E-01      
  8      0.10671E+02            0.14871E+00      
  9      0.30093E+01           -0.15845E+00      
 10      0.11957E+01           -0.36637E+00      
 11      0.17913E+00            0.50000E+00      
S   1
  1      0.62125E-01            1.0000000        
S   1
  1      0.20148E-01            1.0000000        
P   8
  1      0.15362E+04            0.46971E-02      
  2      0.36275E+03            0.37447E-01      
  3      0.11583E+03            0.16374E+00      
  4      0.42750E+02            0.41477E+00      
  5      0.16905E+02            0.50000E+00      
  6      0.66911E+01            0.17032E+00      
  7      0.25902E+01           -0.19212E-02      
  8      0.89956E+00            0.19650E-02      
P   8
  1      0.15362E+04           -0.13200E-02      
  2      0.36275E+03           -0.10626E-01      
  3      0.11583E+03           -0.48461E-01      
  4      0.42750E+02           -0.13090E+00      
  5      0.16905E+02           -0.16170E+00      
  6      0.66911E+01            0.13087E+00      
  7      0.25902E+01            0.50000E+00      
  8      0.89956E+00            0.29368E+00      
P   1
  1      0.18000E+00            1.0000000        
P   1
  1      0.45000E-01            1.0000000        
D   5
  1      0.78275E+02            0.16924E-01      
  2      0.22581E+02            0.10654E+00      
  3      0.78947E+01            0.31999E+00      
  4      0.29232E+01            0.50000E+00      
  5      0.10128E+01            0.48091E+00      
D   1
  1      0.30110E+00            1.0000000        
D   1
  1      0.84492E-01            1.0000000        
F   1
  1      1.997000E+00           1.0000000        
F   1
  1      0.18000E+00            1.0000000


name: aug-pc-1
description: N/A
elt: Zn
data:
ZINC
S   11
  1      0.98135E+05            0.16259E-02      
  2      0.14732E+05            0.12494E-01      
  3      0.33530E+04            0.62354E-01      
  4      0.94758E+03            0.22246E+00      
  5      0.30650E+03            0.50000E+00      
  6      0.10703E+03            0.48373E+00      
  7      0.27325E+02            0.69671E-01      
  8      0.11533E+02           -0.22586E-01      
  9      0.32584E+01            0.80172E-02      
 10      0.12881E+01           -0.35255E-02      
 11      0.18909E+00            0.87137E-03      
S   11
  1      0.98135E+05           -0.30532E-03      
  2      0.14732E+05           -0.23401E-02      
  3      0.33530E+04           -0.12105E-01      
  4      0.94758E+03           -0.45695E-01      
  5      0.30650E+03           -0.13008E+00      
  6      0.10703E+03           -0.18033E+00      
  7      0.27325E+02            0.26558E+00      
  8      0.11533E+02            0.50000E+00      
  9      0.32584E+01            0.65841E-01      
 10      0.12881E+01           -0.13986E-01      
 11      0.18909E+00            0.28200E-02      
S   11
  1      0.98135E+05            0.11176E-03      
  2      0.14732E+05            0.85878E-03      
  3      0.33530E+04            0.44428E-02      
  4      0.94758E+03            0.16992E-01      
  5      0.30650E+03            0.49386E-01      
  6      0.10703E+03            0.74083E-01      
  7      0.27325E+02           -0.15204E+00      
  8      0.11533E+02           -0.38467E+00      
  9      0.32584E+01            0.33273E+00      
 10      0.12881E+01            0.50000E+00      
 11      0.18909E+00            0.29673E-01      
S   11
  1      0.98135E+05           -0.38485E-04      
  2      0.14732E+05           -0.29585E-03      
  3      0.33530E+04           -0.15302E-02      
  4      0.94758E+03           -0.58632E-02      
  5      0.30650E+03           -0.17076E-01      
  6      0.10703E+03           -0.25880E-01      
  7      0.27325E+02            0.55185E-01      
  8      0.11533E+02            0.14643E+00      
  9      0.32584E+01           -0.15675E+00      
 10      0.12881E+01           -0.35909E+00      
 11      0.18909E+00            0.50000E+00      
S   1
  1      0.64711E-01            1.0000000        
S   1
  1      0.20727E-01            1.0000000        
P   8
  1      0.16561E+04            0.46784E-02      
  2      0.39114E+03            0.37340E-01      
  3      0.12496E+03            0.16366E+00      
  4      0.46161E+02            0.41541E+00      
  5      0.18279E+02            0.50000E+00      
  6      0.72405E+01            0.16895E+00      
  7      0.28042E+01           -0.20832E-02      
  8      0.97365E+00            0.19749E-02      
P   8
  1      0.16561E+04           -0.13210E-02      
  2      0.39114E+03           -0.10651E-01      
  3      0.12496E+03           -0.48692E-01      
  4      0.46161E+02           -0.13192E+00      
  5      0.18279E+02           -0.16230E+00      
  6      0.72405E+01            0.13446E+00      
  7      0.28042E+01            0.50000E+00      
  8      0.97365E+00            0.29197E+00      
P   1
  1      0.19500E+00            1.0000000        
P   1
  1      0.48750E-01            1.0000000        
D   5
  1      0.85370E+02            0.16998E-01      
  2      0.24679E+02            0.10737E+00      
  3      0.86558E+01            0.32179E+00      
  4      0.32094E+01            0.50000E+00      
  5      0.11121E+01            0.47833E+00      
D   1
  1      0.32984E+00            1.0000000        
D   1
  1      0.92345E-01            1.0000000        
F   1
  1      2.196000E+00           1.0000000        
F   1
  1      0.19500E+00            1.0000000


name: aug-pc-1
description: N/A
elt: Ga
data:
GALLIUM
S   11
  1      0.10548E+06            0.16178E-02      
  2      0.15835E+05            0.12432E-01      
  3      0.36040E+04            0.62072E-01      
  4      0.10185E+04            0.22174E+00      
  5      0.32949E+03            0.50000E+00      
  6      0.11511E+03            0.48694E+00      
  7      0.29616E+02            0.71664E-01      
  8      0.12566E+02           -0.23399E-01      
  9      0.36318E+01            0.85699E-02      
 10      0.14582E+01           -0.38731E-02      
 11      0.24005E+00            0.10498E-02      
S   11
  1      0.10548E+06           -0.30215E-03      
  2      0.15835E+05           -0.23168E-02      
  3      0.36040E+04           -0.11982E-01      
  4      0.10185E+04           -0.45314E-01      
  5      0.32949E+03           -0.12916E+00      
  6      0.11511E+03           -0.18076E+00      
  7      0.29616E+02            0.25756E+00      
  8      0.12566E+02            0.50000E+00      
  9      0.36318E+01            0.69458E-01      
 10      0.14582E+01           -0.14730E-01      
 11      0.24005E+00            0.32342E-02      
S   11
  1      0.10548E+06            0.10794E-03      
  2      0.15835E+05            0.82946E-03      
  3      0.36040E+04            0.42923E-02      
  4      0.10185E+04            0.16436E-01      
  5      0.32949E+03            0.47889E-01      
  6      0.11511E+03            0.72403E-01      
  7      0.29616E+02           -0.14351E+00      
  8      0.12566E+02           -0.37658E+00      
  9      0.36318E+01            0.29802E+00      
 10      0.14582E+01            0.50000E+00      
 11      0.24005E+00            0.33911E-01      
S   11
  1      0.10548E+06           -0.40980E-04      
  2      0.15835E+05           -0.31503E-03      
  3      0.36040E+04           -0.16302E-02      
  4      0.10185E+04           -0.62527E-02      
  5      0.32949E+03           -0.18264E-01      
  6      0.11511E+03           -0.27895E-01      
  7      0.29616E+02            0.57508E-01      
  8      0.12566E+02            0.15889E+00      
  9      0.36318E+01           -0.15659E+00      
 10      0.14582E+01           -0.39823E+00      
 11      0.24005E+00            0.50000E+00      
S   1
  1      0.87574E-01            1.0000000        
S   1
  1      0.29776E-01            1.0000000        
P   9
  1      0.19863E+04            0.38309E-02      
  2      0.46937E+03            0.30968E-01      
  3      0.15056E+03            0.13909E+00      
  4      0.55982E+02            0.37331E+00      
  5      0.22468E+02            0.50000E+00      
  6      0.92988E+01            0.22004E+00      
  7      0.35786E+01            0.91056E-02      
  8      0.12800E+01            0.46977E-03      
  9      0.22979E+00           -0.15633E-03      
P   9
  1      0.19863E+04           -0.11648E-02      
  2      0.46937E+03           -0.94390E-02      
  3      0.15056E+03           -0.44400E-01      
  4      0.55982E+02           -0.12540E+00      
  5      0.22468E+02           -0.18156E+00      
  6      0.92988E+01            0.68340E-01      
  7      0.35786E+01            0.50000E+00      
  8      0.12800E+01            0.37823E+00      
  9      0.22979E+00            0.24227E-01      
P   9
  1      0.19863E+04            0.25721E-03      
  2      0.46937E+03            0.21257E-02      
  3      0.15056E+03            0.98237E-02      
  4      0.55982E+02            0.28718E-01      
  5      0.22468E+02            0.39594E-01      
  6      0.92988E+01           -0.15744E-01      
  7      0.35786E+01           -0.14981E+00      
  8      0.12800E+01           -0.73330E-01      
  9      0.22979E+00            0.50000E+00      
P   1
  1      0.59929E-01            1.0000000        
P   1
  1      0.14855E-01            1.0000000        
D   6
  1      0.10114E+03            0.15123E-01      
  2      0.29372E+02            0.98750E-01      
  3      0.10425E+02            0.30725E+00      
  4      0.39539E+01            0.50000E+00      
  5      0.14248E+01            0.49274E+00      
  6      0.45276E+00            0.24985E+00      
D   1
  1      0.15100E+00            1.0000000        
D   1
  1      0.47211E-01            1.0000000


name: aug-pc-1
description: N/A
elt: Ge
data:
GERMANIUM
S   11
  1      0.11318E+06            0.16091E-02      
  2      0.16990E+05            0.12367E-01      
  3      0.38666E+04            0.61781E-01      
  4      0.10927E+04            0.22099E+00      
  5      0.35351E+03            0.50000E+00      
  6      0.12355E+03            0.49023E+00      
  7      0.32032E+02            0.73736E-01      
  8      0.13662E+02           -0.24239E-01      
  9      0.40395E+01            0.91311E-02      
 10      0.16454E+01           -0.42087E-02      
 11      0.29490E+00            0.12013E-02      
S   11
  1      0.11318E+06           -0.29882E-03      
  2      0.16990E+05           -0.22925E-02      
  3      0.38666E+04           -0.11853E-01      
  4      0.10927E+04           -0.44917E-01      
  5      0.35351E+03           -0.12819E+00      
  6      0.12355E+03           -0.18114E+00      
  7      0.32032E+02            0.24932E+00      
  8      0.13662E+02            0.50000E+00      
  9      0.40395E+01            0.73179E-01      
 10      0.16454E+01           -0.15329E-01      
 11      0.29490E+00            0.35190E-02      
S   11
  1      0.11318E+06            0.10443E-03      
  2      0.16990E+05            0.80265E-03      
  3      0.38666E+04            0.41550E-02      
  4      0.10927E+04            0.15931E-01      
  5      0.35351E+03            0.46530E-01      
  6      0.12355E+03            0.70913E-01      
  7      0.32032E+02           -0.13548E+00      
  8      0.13662E+02           -0.36958E+00      
  9      0.40395E+01            0.26613E+00      
 10      0.16454E+01            0.50000E+00      
 11      0.29490E+00            0.37270E-01      
S   11
  1      0.11318E+06           -0.43683E-04      
  2      0.16990E+05           -0.33582E-03      
  3      0.38666E+04           -0.17387E-02      
  4      0.10927E+04           -0.66763E-02      
  5      0.35351E+03           -0.19560E-01      
  6      0.12355E+03           -0.30106E-01      
  7      0.32032E+02            0.59872E-01      
  8      0.13662E+02            0.17275E+00      
  9      0.40395E+01           -0.15630E+00      
 10      0.16454E+01           -0.43899E+00      
 11      0.29490E+00            0.50000E+00      
S   1
  1      0.11088E+00            1.0000000        
S   1
  1      0.38773E-01            1.0000000        
P   9
  1      0.22473E+04            0.34886E-02      
  2      0.53121E+03            0.28370E-01      
  3      0.17073E+03            0.12903E+00      
  4      0.63671E+02            0.35559E+00      
  5      0.25711E+02            0.50000E+00      
  6      0.10785E+02            0.24614E+00      
  7      0.41421E+01            0.15642E-01      
  8      0.15122E+01           -0.31220E-03      
  9      0.32709E+00           -0.10815E-05      
P   9
  1      0.22473E+04           -0.11025E-02      
  2      0.53121E+03           -0.89682E-02      
  3      0.17073E+03           -0.42733E-01      
  4      0.63671E+02           -0.12345E+00      
  5      0.25711E+02           -0.19017E+00      
  6      0.10785E+02            0.40089E-01      
  7      0.41421E+01            0.50000E+00      
  8      0.15122E+01            0.41330E+00      
  9      0.32709E+00            0.33213E-01      
P   9
  1      0.22473E+04            0.29482E-03      
  2      0.53121E+03            0.24268E-02      
  3      0.17073E+03            0.11465E-01      
  4      0.63671E+02            0.33874E-01      
  5      0.25711E+02            0.51062E-01      
  6      0.10785E+02           -0.13173E-01      
  7      0.41421E+01           -0.17687E+00      
  8      0.15122E+01           -0.11862E+00      
  9      0.32709E+00            0.50000E+00      
P   1
  1      0.90090E-01            1.0000000        
P   1
  1      0.23518E-01            1.0000000        
D   6
  1      0.11703E+03            0.13803E-01      
  2      0.34115E+02            0.92468E-01      
  3      0.12224E+02            0.29562E+00      
  4      0.47119E+01            0.49968E+00      
  5      0.17471E+01            0.50000E+00      
  6      0.58105E+00            0.24152E+00      
D   1
  1      0.19400E+00            1.0000000        
D   1
  1      0.60718E-01            1.0000000


name: aug-pc-1
description: N/A
elt: As
data:
ARSENIC
S   11
  1      0.12114E+06            0.16014E-02      
  2      0.18185E+05            0.12309E-01      
  3      0.41386E+04            0.61511E-01      
  4      0.11696E+04            0.22028E+00      
  5      0.37844E+03            0.50000E+00      
  6      0.13232E+03            0.49342E+00      
  7      0.34561E+02            0.75795E-01      
  8      0.14813E+02           -0.25068E-01      
  9      0.44789E+01            0.96693E-02      
 10      0.18463E+01           -0.45072E-02      
 11      0.35075E+00            0.13260E-02      
S   11
  1      0.12114E+06           -0.29576E-03      
  2      0.18185E+05           -0.22700E-02      
  3      0.41386E+04           -0.11733E-01      
  4      0.11696E+04           -0.44542E-01      
  5      0.37844E+03           -0.12726E+00      
  6      0.13232E+03           -0.18150E+00      
  7      0.34561E+02            0.24134E+00      
  8      0.14813E+02            0.50000E+00      
  9      0.44789E+01            0.76811E-01      
 10      0.18463E+01           -0.15719E-01      
 11      0.35075E+00            0.36924E-02      
S   11
  1      0.12114E+06            0.10140E-03      
  2      0.18185E+05            0.77942E-03      
  3      0.41386E+04            0.40355E-02      
  4      0.11696E+04            0.15490E-01      
  5      0.37844E+03            0.45346E-01      
  6      0.13232E+03            0.69643E-01      
  7      0.34561E+02           -0.12826E+00      
  8      0.14813E+02           -0.36367E+00      
  9      0.44789E+01            0.23799E+00      
 10      0.18463E+01            0.50000E+00      
 11      0.35075E+00            0.39829E-01      
S   11
  1      0.12114E+06           -0.45365E-04      
  2      0.18185E+05           -0.34873E-03      
  3      0.41386E+04           -0.18064E-02      
  4      0.11696E+04           -0.69417E-02      
  5      0.37844E+03           -0.20398E-01      
  6      0.13232E+03           -0.31622E-01      
  7      0.34561E+02            0.60641E-01      
  8      0.14813E+02            0.18292E+00      
  9      0.44789E+01           -0.15228E+00      
 10      0.18463E+01           -0.46852E+00      
 11      0.35075E+00            0.50000E+00      
S   1
  1      0.13453E+00            1.0000000        
S   1
  1      0.47925E-01            1.0000000        
P   9
  1      0.24413E+04            0.33888E-02      
  2      0.57722E+03            0.27615E-01      
  3      0.18566E+03            0.12621E+00      
  4      0.69319E+02            0.35086E+00      
  5      0.28057E+02            0.50000E+00      
  6      0.11817E+02            0.25289E+00      
  7      0.45589E+01            0.17476E-01      
  8      0.16934E+01           -0.50283E-03      
  9      0.38186E+00            0.41556E-04      
P   9
  1      0.24413E+04           -0.10888E-02      
  2      0.57722E+03           -0.88725E-02      
  3      0.18566E+03           -0.42488E-01      
  4      0.69319E+02           -0.12377E+00      
  5      0.28057E+02           -0.19370E+00      
  6      0.11817E+02            0.33388E-01      
  7      0.45589E+01            0.50000E+00      
  8      0.16934E+01            0.41901E+00      
  9      0.38186E+00            0.34079E-01      
P   9
  1      0.24413E+04            0.28848E-03      
  2      0.57722E+03            0.23801E-02      
  3      0.18566E+03            0.11297E-01      
  4      0.69319E+02            0.33693E-01      
  5      0.28057E+02            0.51591E-01      
  6      0.11817E+02           -0.11275E-01      
  7      0.45589E+01           -0.17822E+00      
  8      0.16934E+01           -0.11877E+00      
  9      0.38186E+00            0.50000E+00      
P   1
  1      0.10833E+00            1.0000000        
P   1
  1      0.29080E-01            1.0000000        
D   6
  1      0.13292E+03            0.12767E-01      
  2      0.38865E+02            0.87207E-01      
  3      0.14032E+02            0.28466E+00      
  4      0.54727E+01            0.49522E+00      
  5      0.20732E+01            0.50000E+00      
  6      0.71314E+00            0.23109E+00      
D   1
  1      0.23800E+00            1.0000000        
D   1
  1      0.74459E-01            1.0000000


name: aug-pc-1
description: N/A
elt: Se
data:
SELENIUM
S   11
  1      0.12944E+06            0.15937E-02      
  2      0.19430E+05            0.12250E-01      
  3      0.44219E+04            0.61243E-01      
  4      0.12497E+04            0.21958E+00      
  5      0.40439E+03            0.50000E+00      
  6      0.14145E+03            0.49666E+00      
  7      0.37223E+02            0.77924E-01      
  8      0.16032E+02           -0.25914E-01      
  9      0.49561E+01            0.10209E-01      
 10      0.20633E+01           -0.47962E-02      
 11      0.41256E+00            0.14430E-02      
S   11
  1      0.12944E+06           -0.29265E-03      
  2      0.19430E+05           -0.22471E-02      
  3      0.44219E+04           -0.11612E-01      
  4      0.12497E+04           -0.44160E-01      
  5      0.40439E+03           -0.12631E+00      
  6      0.14145E+03           -0.18182E+00      
  7      0.37223E+02            0.23316E+00      
  8      0.16032E+02            0.50000E+00      
  9      0.49561E+01            0.80581E-01      
 10      0.20633E+01           -0.15999E-01      
 11      0.41256E+00            0.38185E-02      
S   11
  1      0.12944E+06            0.98607E-04      
  2      0.19430E+05            0.75808E-03      
  3      0.44219E+04            0.39258E-02      
  4      0.12497E+04            0.15087E-01      
  5      0.40439E+03            0.44261E-01      
  6      0.14145E+03            0.68508E-01      
  7      0.37223E+02           -0.12137E+00      
  8      0.16032E+02           -0.35847E+00      
  9      0.49561E+01            0.21196E+00      
 10      0.20633E+01            0.50000E+00      
 11      0.41256E+00            0.42145E-01      
S   11
  1      0.12944E+06           -0.47031E-04      
  2      0.19430E+05           -0.36154E-03      
  3      0.44219E+04           -0.18735E-02      
  4      0.12497E+04           -0.72067E-02      
  5      0.40439E+03           -0.21234E-01      
  6      0.14145E+03           -0.33168E-01      
  7      0.37223E+02            0.61218E-01      
  8      0.16032E+02            0.19324E+00      
  9      0.49561E+01           -0.14708E+00      
 10      0.20633E+01           -0.49923E+00      
 11      0.41256E+00            0.50000E+00      
S   1
  1      0.16026E+00            1.0000000        
S   1
  1      0.57767E-01            1.0000000        
P   9
  1      0.26320E+04            0.33222E-02      
  2      0.62241E+03            0.27120E-01      
  3      0.20029E+03            0.12441E+00      
  4      0.74850E+02            0.34793E+00      
  5      0.30351E+02            0.50000E+00      
  6      0.12824E+02            0.25695E+00      
  7      0.49760E+01            0.18645E-01      
  8      0.18810E+01           -0.60320E-03      
  9      0.44229E+00            0.62668E-04      
P   9
  1      0.26320E+04           -0.10824E-02      
  2      0.62241E+03           -0.88346E-02      
  3      0.20029E+03           -0.42469E-01      
  4      0.74850E+02           -0.12447E+00      
  5      0.30351E+02           -0.19669E+00      
  6      0.12824E+02            0.29496E-01      
  7      0.49760E+01            0.50000E+00      
  8      0.18810E+01            0.42091E+00      
  9      0.44229E+00            0.34351E-01      
P   9
  1      0.26320E+04            0.29261E-03      
  2      0.62241E+03            0.24255E-02      
  3      0.20029E+03            0.11521E-01      
  4      0.74850E+02            0.34732E-01      
  5      0.30351E+02            0.53334E-01      
  6      0.12824E+02           -0.99363E-02      
  7      0.49760E+01           -0.18706E+00      
  8      0.18810E+01           -0.11696E+00      
  9      0.44229E+00            0.50000E+00      
P   1
  1      0.12697E+00            1.0000000        
P   1
  1      0.34471E-01            1.0000000        
D   6
  1      0.15025E+03            0.11783E-01      
  2      0.44052E+02            0.81943E-01      
  3      0.16015E+02            0.27300E+00      
  4      0.63117E+01            0.48846E+00      
  5      0.24356E+01            0.50000E+00      
  6      0.86076E+00            0.22497E+00      
D   1
  1      0.28700E+00            1.0000000        
D   1
  1      0.89711E-01            1.0000000


name: aug-pc-1
description: N/A
elt: Br
data:
BROMINE
S   11
  1      0.13806E+06            0.15859E-02      
  2      0.20725E+05            0.12191E-01      
  3      0.47167E+04            0.60973E-01      
  4      0.13330E+04            0.21887E+00      
  5      0.43138E+03            0.50000E+00      
  6      0.15096E+03            0.49993E+00      
  7      0.40030E+02            0.80125E-01      
  8      0.17322E+02           -0.26764E-01      
  9      0.54781E+01            0.10730E-01      
 10      0.22959E+01           -0.50475E-02      
 11      0.47763E+00            0.15430E-02      
S   11
  1      0.13806E+06           -0.28953E-03      
  2      0.20725E+05           -0.22241E-02      
  3      0.47167E+04           -0.11489E-01      
  4      0.13330E+04           -0.43773E-01      
  5      0.43138E+03           -0.12533E+00      
  6      0.15096E+03           -0.18211E+00      
  7      0.40030E+02            0.22476E+00      
  8      0.17322E+02            0.50000E+00      
  9      0.54781E+01            0.84451E-01      
 10      0.22959E+01           -0.16063E-01      
 11      0.47763E+00            0.38715E-02      
S   11
  1      0.13806E+06            0.95979E-04      
  2      0.20725E+05            0.73795E-03      
  3      0.47167E+04            0.38222E-02      
  4      0.13330E+04            0.14706E-01      
  5      0.43138E+03            0.43237E-01      
  6      0.15096E+03            0.67445E-01      
  7      0.40030E+02           -0.11464E+00      
  8      0.17322E+02           -0.35372E+00      
  9      0.54781E+01            0.18760E+00      
 10      0.22959E+01            0.50000E+00      
 11      0.47763E+00            0.44180E-01      
S   11
  1      0.13806E+06            0.45910E-04      
  2      0.20725E+05            0.35292E-03      
  3      0.47167E+04            0.18295E-02      
  4      0.13330E+04            0.70445E-02      
  5      0.43138E+03            0.20810E-01      
  6      0.15096E+03            0.32754E-01      
  7      0.40030E+02           -0.58022E-01      
  8      0.17322E+02           -0.19217E+00      
  9      0.54781E+01            0.13284E+00      
 10      0.22959E+01            0.50000E+00      
 11      0.47763E+00           -0.47242E+00      
S   1
  1      0.18726E+00            1.0000000        
S   1
  1      0.68078E-01            1.0000000        
P   9
  1      0.28276E+04            0.32658E-02      
  2      0.66875E+03            0.26697E-01      
  3      0.21529E+03            0.12289E+00      
  4      0.80514E+02            0.34552E+00      
  5      0.32700E+02            0.50000E+00      
  6      0.13855E+02            0.26020E+00      
  7      0.54093E+01            0.19634E-01      
  8      0.20806E+01           -0.67839E-03      
  9      0.51201E+00            0.77758E-04      
P   9
  1      0.28276E+04           -0.10782E-02      
  2      0.66875E+03           -0.88116E-02      
  3      0.21529E+03           -0.42509E-01      
  4      0.80514E+02           -0.12527E+00      
  5      0.32700E+02           -0.19955E+00      
  6      0.13855E+02            0.26353E-01      
  7      0.54093E+01            0.50000E+00      
  8      0.20806E+01            0.42180E+00      
  9      0.51201E+00            0.34863E-01      
P   9
  1      0.28276E+04            0.29854E-03      
  2      0.66875E+03            0.24799E-02      
  3      0.21529E+03            0.11815E-01      
  4      0.80514E+02            0.35861E-01      
  5      0.32700E+02            0.55466E-01      
  6      0.13855E+02           -0.93491E-02      
  7      0.54093E+01           -0.19501E+00      
  8      0.20806E+01           -0.11858E+00      
  9      0.51201E+00            0.50000E+00      
P   1
  1      0.14783E+00            1.0000000        
P   1
  1      0.40354E-01            1.0000000        
D   6
  1      0.16774E+03            0.11071E-01      
  2      0.49296E+02            0.78111E-01      
  3      0.18022E+02            0.26461E+00      
  4      0.71605E+01            0.48410E+00      
  5      0.28040E+01            0.50000E+00      
  6      0.10123E+01            0.21909E+00      
D   1
  1      0.33700E+00            1.0000000        
D   1
  1      0.10518E+00            1.0000000


