# all_value

name: cc-pwCV5Z-PP MP2 Fitting
description: MP2 auxiliary basis for use with cc-pwCV5Z-PP AO basis set
elt: Pd
data:
PALLADIUM
S   1
  1     78.1650000              1.0000000        
S   1
  1     19.4567000              1.0000000        
S   1
  1     11.6045000              1.0000000        
S   1
  1      6.8963300              1.0000000        
S   1
  1      4.6211000              1.0000000        
S   1
  1      2.9816700              1.0000000        
S   1
  1      1.8653500              1.0000000        
S   1
  1      1.2129100              1.0000000        
S   1
  1      0.8633480              1.0000000        
S   1
  1      0.5442940              1.0000000        
S   1
  1      0.3160660              1.0000000        
S   1
  1      0.1820620              1.0000000        
S   1
  1      0.0786470              1.0000000        
P   1
  1     61.7078000              1.0000000        
P   1
  1     14.0800000              1.0000000        
P   1
  1     10.4985000              1.0000000        
P   1
  1      7.8531800              1.0000000        
P   1
  1      6.0114800              1.0000000        
P   1
  1      3.1654600              1.0000000        
P   1
  1      2.0373000              1.0000000        
P   1
  1      1.3788100              1.0000000        
P   1
  1      0.9578670              1.0000000        
P   1
  1      0.5501450              1.0000000        
P   1
  1      0.2785460              1.0000000        
P   1
  1      0.1361010              1.0000000        
P   1
  1      0.0636470              1.0000000        
D   1
  1     30.9736000              1.0000000        
D   1
  1     11.2171000              1.0000000        
D   1
  1      8.2388900              1.0000000        
D   1
  1      6.1672100              1.0000000        
D   1
  1      3.9908300              1.0000000        
D   1
  1      2.2685800              1.0000000        
D   1
  1      1.4189600              1.0000000        
D   1
  1      1.0751600              1.0000000        
D   1
  1      0.6399050              1.0000000        
D   1
  1      0.3609100              1.0000000        
D   1
  1      0.2211050              1.0000000        
D   1
  1      0.1100590              1.0000000        
F   1
  1     12.5961000              1.0000000        
F   1
  1      8.4559100              1.0000000        
F   1
  1      6.3271400              1.0000000        
F   1
  1      3.9324200              1.0000000        
F   1
  1      2.6109600              1.0000000        
F   1
  1      1.7174400              1.0000000        
F   1
  1      1.0960600              1.0000000        
F   1
  1      0.6498200              1.0000000        
F   1
  1      0.3971370              1.0000000        
F   1
  1      0.1981290              1.0000000        
F   1
  1      0.1013000              1.0000000        
G   1
  1     14.4805000              1.0000000        
G   1
  1     10.1055000              1.0000000        
G   1
  1      5.6507600              1.0000000        
G   1
  1      4.0016800              1.0000000        
G   1
  1      2.6394400              1.0000000        
G   1
  1      1.8181900              1.0000000        
G   1
  1      1.0869400              1.0000000        
G   1
  1      0.7945500              1.0000000        
G   1
  1      0.4526010              1.0000000        
G   1
  1      0.2521420              1.0000000        
G   1
  1      0.1449400              1.0000000        
H   1
  1     19.8803000              1.0000000        
H   1
  1     10.9033000              1.0000000        
H   1
  1      6.2388200              1.0000000        
H   1
  1      4.0981200              1.0000000        
H   1
  1      3.1100100              1.0000000        
H   1
  1      2.0037100              1.0000000        
H   1
  1      1.2324800              1.0000000        
H   1
  1      0.5732110              1.0000000        
I   1
  1      8.0648300              1.0000000        
I   1
  1      5.7279700              1.0000000        
I   1
  1      3.3421900              1.0000000        
I   1
  1      2.3946500              1.0000000        
I   1
  1      1.5563700              1.0000000        
I   1
  1      0.8412030              1.0000000        
K   1
  1      5.4516600              1.0000000        
K   1
  1      4.1994600              1.0000000        
K   1
  1      2.8977100              1.0000000        
K   1
  1      1.3919700              1.0000000        
L   1
  1      6.1295800              1.0000000        
L   1
  1      4.9851200              1.0000000        
L   1
  1      2.6724400              1.0000000


name: cc-pwCV5Z-PP
description: cc-pwCV5Z-PP for Hf - Pt
elt: Hf
data:
HAFNIUM
S   15
  1    127.7480000             -0.0002650        
  2     79.4716000              0.0018600        
  3     45.4455000             -0.0136810        
  4     28.3815000              0.0789220        
  5     17.7268000             -0.3294260        
  6     11.0709000              0.7341460        
  7      6.8945900             -0.4835410        
  8      3.5486400             -0.5526670        
  9      1.9669700             -0.0048260        
 10      1.1896700              0.4295130        
 11      0.7225180              0.5705330        
 12      0.4164450              0.3115260        
 13      0.2308050              0.0487760        
 14      0.1037990              0.0014650        
 15      0.0497170             -0.0014370        
S   15
  1    127.7480000              0.0000500        
  2     79.4716000             -0.0004020        
  3     45.4455000              0.0034560        
  4     28.3815000             -0.0219560        
  5     17.7268000              0.0967560        
  6     11.0709000             -0.2227620        
  7      6.8945900              0.1511500        
  8      3.5486400              0.1802400        
  9      1.9669700              0.0081550        
 10      1.1896700             -0.1681520        
 11      0.7225180             -0.2613930        
 12      0.4164450             -0.2841200        
 13      0.2308050             -0.0039800        
 14      0.1037990              0.4690960        
 15      0.0497170              0.5811820        
S   15
  1    127.7480000             -0.0002150        
  2     79.4716000              0.0013270        
  3     45.4455000             -0.0082810        
  4     28.3815000              0.0437050        
  5     17.7268000             -0.1784800        
  6     11.0709000              0.4054010        
  7      6.8945900             -0.2886660        
  8      3.5486400             -0.2809590        
  9      1.9669700             -0.1238970        
 10      1.1896700              0.5064930        
 11      0.7225180              0.4808970        
 12      0.4164450              0.9248080        
 13      0.2308050             -1.6613720        
 14      0.1037990             -1.1516350        
 15      0.0497170              1.2281220        
S   15
  1    127.7480000             -0.0002050        
  2     79.4716000              0.0006500        
  3     45.4455000              0.0023510        
  4     28.3815000             -0.0394250        
  5     17.7268000              0.2197680        
  6     11.0709000             -0.5440250        
  7      6.8945900              0.3558480        
  8      3.5486400              0.6157690        
  9      1.9669700             -0.0435280        
 10      1.1896700             -0.6285800        
 11      0.7225180             -2.6644980        
 12      0.4164450              2.6677750        
 13      0.2308050              2.2901390        
 14      0.1037990             -3.5999040        
 15      0.0497170              0.6097060        
S   15
  1    127.7480000             -0.0004360        
  2     79.4716000              0.0017770        
  3     45.4455000             -0.0015150        
  4     28.3815000             -0.0327300        
  5     17.7268000              0.2228950        
  6     11.0709000             -0.5723910        
  7      6.8945900              0.3439330        
  8      3.5486400              0.7814050        
  9      1.9669700              0.4626060        
 10      1.1896700             -2.7820660        
 11      0.7225180             -3.1216790        
 12      0.4164450             11.6688260        
 13      0.2308050             -9.7036820        
 14      0.1037990              1.9065390        
 15      0.0497170              2.4988180        
S   15
  1    127.7480000             -0.0065390        
  2     79.4716000              0.0330230        
  3     45.4455000             -0.1319560        
  4     28.3815000              0.3965380        
  5     17.7268000             -1.0136420        
  6     11.0709000              1.9458380        
  7      6.8945900             -1.7872130        
  8      3.5486400              0.2408740        
  9      1.9669700             -4.1101300        
 10      1.1896700             17.4671040        
 11      0.7225180            -23.3039300        
 12      0.4164450             11.9257810        
 13      0.2308050              1.7063660        
 14      0.1037990             -7.7578540        
 15      0.0497170              7.2322400        
S   1
  1      0.0237700              1.0000000        
S   1
  1      4.4550000              1.0000000        
S   1
  1      2.7000000              1.0000000        
P   12
  1     41.4467000             -0.0006080        
  2     25.8855000              0.0072100        
  3     16.1691000             -0.0505390        
  4     10.1016000              0.1824760        
  5      6.3107100             -0.2021880        
  6      3.8365300             -0.1667920        
  7      1.3993200              0.3020540        
  8      0.7676080              0.4675860        
  9      0.4115580              0.3223530        
 10      0.2111180              0.0902090        
 11      0.0981670              0.0082420        
 12      0.0453820              0.0010090        
P   12
  1     41.4467000              0.0001310        
  2     25.8855000             -0.0017860        
  3     16.1691000              0.0134610        
  4     10.1016000             -0.0503600        
  5      6.3107100              0.0574720        
  6      3.8365300              0.0470140        
  7      1.3993200             -0.0929890        
  8      0.7676080             -0.1678660        
  9      0.4115580             -0.1546010        
 10      0.2111180              0.0749170        
 11      0.0981670              0.4278670        
 12      0.0453820              0.4997790        
P   12
  1     41.4467000              0.0001550        
  2     25.8855000             -0.0024110        
  3     16.1691000              0.0190800        
  4     10.1016000             -0.0723590        
  5      6.3107100              0.0825170        
  6      3.8365300              0.0694090        
  7      1.3993200             -0.1384910        
  8      0.7676080             -0.2388510        
  9      0.4115580             -0.2696350        
 10      0.2111180              0.2559880        
 11      0.0981670              0.7089890        
 12      0.0453820              0.2477470        
P   12
  1     41.4467000              0.0003500        
  2     25.8855000             -0.0047590        
  3     16.1691000              0.0361480        
  4     10.1016000             -0.1366730        
  5      6.3107100              0.1591460        
  6      3.8365300              0.1281270        
  7      1.3993200             -0.2677180        
  8      0.7676080             -0.7965620        
  9      0.4115580              0.1238840        
 10      0.2111180              1.6212470        
 11      0.0981670             -0.5567550        
 12      0.0453820             -0.6691030        
P   12
  1     41.4467000              0.0007800        
  2     25.8855000             -0.0084450        
  3     16.1691000              0.0588600        
  4     10.1016000             -0.2212050        
  5      6.3107100              0.2683550        
  6      3.8365300              0.2077140        
  7      1.3993200             -0.7711390        
  8      0.7676080             -1.4253890        
  9      0.4115580              3.4737140        
 10      0.2111180             -1.5709620        
 11      0.0981670             -1.1457100        
 12      0.0453820              1.2510060        
P   12
  1     41.4467000              0.0161090        
  2     25.8855000             -0.0774960        
  3     16.1691000              0.1644930        
  4     10.1016000             -0.1561020        
  5      6.3107100              0.2459260        
  6      3.8365300             -0.9029180        
  7      1.3993200              3.4050860        
  8      0.7676080             -3.5255490        
  9      0.4115580             -0.6189970        
 10      0.2111180              3.9159700        
 11      0.0981670             -3.9242830        
 12      0.0453820              1.8289550        
P   1
  1      0.0206860              1.0000000        
P   1
  1      4.0902000              1.0000000        
P   1
  1      2.5567000              1.0000000        
D   10
  1     35.5394000              0.0000430        
  2     15.2305000             -0.0006500        
  3      7.7746700              0.0123910        
  4      4.3736500             -0.0563170        
  5      1.4161700              0.0928900        
  6      0.8379100              0.1799400        
  7      0.4656750              0.2783780        
  8      0.2397700              0.3177230        
  9      0.1177200              0.2618220        
 10      0.0557830              0.1262830        
D   10
  1     35.5394000             -0.0000150        
  2     15.2305000              0.0005190        
  3      7.7746700             -0.0136520        
  4      4.3736500              0.0657540        
  5      1.4161700             -0.1206020        
  6      0.8379100             -0.2424530        
  7      0.4656750             -0.3683650        
  8      0.2397700             -0.1005520        
  9      0.1177200              0.4226440        
 10      0.0557830              0.4761400        
D   10
  1     35.5394000             -0.0000920        
  2     15.2305000             -0.0000270        
  3      7.7746700              0.0172170        
  4      4.3736500             -0.0933910        
  5      1.4161700              0.2127460        
  6      0.8379100              0.4655750        
  7      0.4656750              0.2673850        
  8      0.2397700             -0.8332010        
  9      0.1177200             -0.4285520        
 10      0.0557830              0.6530410        
D   10
  1     35.5394000              0.0004280        
  2     15.2305000             -0.0016930        
  3      7.7746700             -0.0180860        
  4      4.3736500              0.1212750        
  5      1.4161700             -0.3064630        
  6      0.8379100             -1.0395480        
  7      0.4656750              1.1482350        
  8      0.2397700              0.8681360        
  9      0.1177200             -1.6557700        
 10      0.0557830              0.4445940        
D   10
  1     35.5394000              0.0002690        
  2     15.2305000             -0.0026550        
  3      7.7746700              0.0489690        
  4      4.3736500             -0.2528270        
  5      1.4161700              1.3918810        
  6      0.8379100             -0.1414450        
  7      0.4656750             -2.6895820        
  8      0.2397700              3.1243230        
  9      0.1177200             -1.3526590        
 10      0.0557830             -0.4206500        
D   1
  1      0.0251140              1.0000000        
D   1
  1      3.3013000              1.0000000        
D   1
  1      2.0624000              1.0000000        
F   1
  1      1.7357000              1.0000000        
F   1
  1      0.8897000              1.0000000        
F   1
  1      0.4560000              1.0000000        
F   1
  1      0.2337000              1.0000000        
F   1
  1      0.0834000              1.0000000        
G   1
  1      1.9755000              1.0000000        
G   1
  1      0.9582000              1.0000000        
G   1
  1      0.4647000              1.0000000        
G   1
  1      0.1585000              1.0000000        
H   1
  1      1.8136000              1.0000000        
H   1
  1      0.8403000              1.0000000        
H   1
  1      0.2781000              1.0000000        
I   1
  1      1.5657000              1.0000000        
I   1
  1      0.5042000              1.0000000


name: cc-pwCV5Z-PP
description: cc-pwCV5Z-PP for Hf - Pt
elt: Ta
data:
TANTALUM
S   15
  1    127.8860000             -0.0002790        
  2     79.6219000              0.0020770        
  3     47.3560000             -0.0127990        
  4     28.9849000              0.0750180        
  5     18.1009000             -0.3238420        
  6     11.3049000              0.7427980        
  7      7.0610300             -0.4963610        
  8      3.7219500             -0.5605560        
  9      1.9676200             -0.0147580        
 10      1.2207300              0.5206740        
 11      0.7094640              0.5800160        
 12      0.4076670              0.2439380        
 13      0.2308530              0.0336160        
 14      0.1124470              0.0003250        
 15      0.0540990             -0.0021700        
S   15
  1    127.8860000              0.0000430        
  2     79.6219000             -0.0004060        
  3     47.3560000              0.0030990        
  4     28.9849000             -0.0209290        
  5     18.1009000              0.0970320        
  6     11.3049000             -0.2315270        
  7      7.0610300              0.1598630        
  8      3.7219500              0.1896500        
  9      1.9676200              0.0113860        
 10      1.2207300             -0.2125120        
 11      0.7094640             -0.3065440        
 12      0.4076670             -0.2409180        
 13      0.2308530              0.0388600        
 14      0.1124470              0.4628580        
 15      0.0540990              0.5752370        
S   15
  1    127.8860000              0.0001110        
  2     79.6219000             -0.0008820        
  3     47.3560000              0.0059160        
  4     28.9849000             -0.0375850        
  5     18.1009000              0.1716390        
  6     11.3049000             -0.4111500        
  7      7.0610300              0.2909600        
  8      3.7219500              0.3268680        
  9      1.9676200              0.0945570        
 10      1.2207300             -0.5424690        
 11      0.7094640             -0.7913220        
 12      0.4076670             -0.4190270        
 13      0.2308530              1.6532500        
 14      0.1124470              0.8989830        
 15      0.0540990             -1.1280310        
S   14
  1     79.6219000             -0.0004300        
  2     47.3560000              0.0057360        
  3     28.9849000             -0.0481540        
  4     18.1009000              0.2439050        
  5     11.3049000             -0.6085090        
  6      7.0610300              0.4282320        
  7      3.7219500              0.5955070        
  8      1.9676200              0.1293500        
  9      1.2207300             -1.4441160        
 10      0.7094640             -1.9042060        
 11      0.4076670              3.2780850        
 12      0.2308530              1.4056750        
 13      0.1124470             -3.3379110        
 14      0.0540990              0.4211850        
S   15
  1    127.8860000              0.0002870        
  2     79.6219000             -0.0019250        
  3     47.3560000              0.0108510        
  4     28.9849000             -0.0629920        
  5     18.1009000              0.2830470        
  6     11.3049000             -0.6835000        
  7      7.0610300              0.4757520        
  8      3.7219500              0.6263640        
  9      1.9676200              1.1666760        
 10      1.2207300             -5.1480010        
 11      0.7094640              1.1355430        
 12      0.4076670              8.3573620        
 13      0.2308530             -9.1380100        
 14      0.1124470              2.0396930        
 15      0.0540990              2.6709700        
S   15
  1    127.8860000             -0.0027560        
  2     79.6219000              0.0149860        
  3     47.3560000             -0.0565160        
  4     28.9849000              0.1974660        
  5     18.1009000             -0.6383540        
  6     11.3049000              1.3988440        
  7      7.0610300             -1.1057190        
  8      3.7219500             -1.1405960        
  9      1.9676200             -1.0047480        
 10      1.2207300             13.1447220        
 11      0.7094640            -22.4925640        
 12      0.4076670             15.8588450        
 13      0.2308530             -1.4127320        
 14      0.1124470             -6.8494450        
 15      0.0540990              6.6999900        
S   1
  1      0.0255890              1.0000000        
S   1
  1      4.7600000              1.0000000        
S   1
  1      2.8000000              1.0000000        
P   12
  1     43.0864000             -0.0004490        
  2     26.2162000              0.0063050        
  3     16.3747000             -0.0481970        
  4     10.2287000              0.1858860        
  5      6.3885600             -0.2230500        
  6      3.8820000             -0.1621140        
  7      1.5402200              0.2784190        
  8      0.8635440              0.4672790        
  9      0.4684760              0.3385310        
 10      0.2433510              0.1034880        
 11      0.1126670              0.0106060        
 12      0.0514670              0.0008630        
P   12
  1     43.0864000              0.0000830        
  2     26.2162000             -0.0015370        
  3     16.3747000              0.0131640        
  4     10.2287000             -0.0532870        
  5      6.3885600              0.0661500        
  6      3.8820000              0.0478650        
  7      1.5402200             -0.0900430        
  8      0.8635440             -0.1758890        
  9      0.4684760             -0.1625120        
 10      0.2433510              0.0661390        
 11      0.1126670              0.4193780        
 12      0.0514670              0.5076320        
P   12
  1     43.0864000              0.0000770        
  2     26.2162000             -0.0020600        
  3     16.3747000              0.0191860        
  4     10.2287000             -0.0793420        
  5      6.3885600              0.0985250        
  6      3.8820000              0.0742280        
  7      1.5402200             -0.1412360        
  8      0.8635440             -0.2634310        
  9      0.4684760             -0.2924470        
 10      0.2433510              0.2763780        
 11      0.1126670              0.7169410        
 12      0.0514670              0.2347510        
P   12
  1     43.0864000              0.0000670        
  2     26.2162000             -0.0032700        
  3     16.3747000              0.0334630        
  4     10.2287000             -0.1429680        
  5      6.3885600              0.1813390        
  6      3.8820000              0.1407050        
  7      1.5402200             -0.2905920        
  8      0.8635440             -0.8314340        
  9      0.4684760              0.1378480        
 10      0.2433510              1.6015330        
 11      0.1126670             -0.5297110        
 12      0.0514670             -0.6839160        
P   12
  1     43.0864000              0.0003680        
  2     26.2162000             -0.0066880        
  3     16.3747000              0.0591060        
  4     10.2287000             -0.2496690        
  5      6.3885600              0.3312620        
  6      3.8820000              0.2476020        
  7      1.5402200             -0.9737180        
  8      0.8635440             -1.4213200        
  9      0.4684760              3.7940630        
 10      0.2433510             -1.9375430        
 11      0.1126670             -0.8955520        
 12      0.0514670              1.1723800        
P   12
  1     43.0864000             -0.0160570        
  2     26.2162000              0.0835870        
  3     16.3747000             -0.1864780        
  4     10.2287000              0.1749990        
  5      6.3885600             -0.2492200        
  6      3.8820000              1.0920380        
  7      1.5402200             -4.3225400        
  8      0.8635440              5.0941140        
  9      0.4684760             -0.7633390        
 10      0.2433510             -3.1723950        
 11      0.1126670              3.7036060        
 12      0.0514670             -1.9021510        
P   1
  1      0.0230550              1.0000000        
P   1
  1      4.4076000              1.0000000        
P   1
  1      2.7557000              1.0000000        
D   10
  1     35.5553000              0.0000650        
  2     15.2541000             -0.0010070        
  3      8.0507000              0.0153940        
  4      4.4858200             -0.0687140        
  5      1.4699000              0.1230910        
  6      0.8349400              0.2263780        
  7      0.4639940              0.2926730        
  8      0.2489180              0.2921500        
  9      0.1289160              0.2162180        
 10      0.0644250              0.0968860        
D   10
  1     35.5553000             -0.0000160        
  2     15.2541000              0.0007520        
  3      8.0507000             -0.0166650        
  4      4.4858200              0.0802890        
  5      1.4699000             -0.1644500        
  6      0.8349400             -0.3216390        
  7      0.4639940             -0.3388870        
  8      0.2489180              0.0565710        
  9      0.1289160              0.4638630        
 10      0.0644250              0.4026440        
D   10
  1     35.5553000              0.0001760        
  2     15.2541000             -0.0002270        
  3      8.0507000             -0.0202980        
  4      4.4858200              0.1162780        
  5      1.4699000             -0.3271600        
  6      0.8349400             -0.5766580        
  7      0.4639940              0.0876950        
  8      0.2489180              0.9151310        
  9      0.1289160              0.1294610        
 10      0.0644250             -0.6372310        
D   10
  1     35.5553000              0.0002380        
  2     15.2541000             -0.0002990        
  3      8.0507000             -0.0280330        
  4      4.4858200              0.1647140        
  5      1.4699000             -0.6247180        
  6      0.8349400             -0.7857680        
  7      0.4639940              1.7880720        
  8      0.2489180             -0.0459510        
  9      0.1289160             -1.4392400        
 10      0.0644250              0.5965670        
D   10
  1     35.5553000             -0.0007060        
  2     15.2541000              0.0029160        
  3      8.0507000              0.0395360        
  4      4.4858200             -0.2900840        
  5      1.4699000              2.0927720        
  6      0.8349400             -1.9799750        
  7      0.4639940             -1.1050630        
  8      0.2489180              3.0756320        
  9      0.1289160             -2.0821770        
 10      0.0644250              0.0657740        
D   1
  1      0.0302690              1.0000000        
D   1
  1      3.5534000              1.0000000        
D   1
  1      2.2220000              1.0000000        
F   1
  1      1.9038000              1.0000000        
F   1
  1      1.0195000              1.0000000        
F   1
  1      0.5459000              1.0000000        
F   1
  1      0.2923000              1.0000000        
F   1
  1      0.1062000              1.0000000        
G   1
  1      2.1516000              1.0000000        
G   1
  1      1.0972000              1.0000000        
G   1
  1      0.5596000              1.0000000        
G   1
  1      0.2015000              1.0000000        
H   1
  1      2.0025000              1.0000000        
H   1
  1      0.9824000              1.0000000        
H   1
  1      0.3503000              1.0000000        
I   1
  1      1.8102000              1.0000000        
I   1
  1      0.6496000              1.0000000


name: cc-pwCV5Z-PP
description: cc-pwCV5Z-PP for Hf - Pt
elt: W
data:
TUNGSTEN
S   15
  1    128.0210000             -0.0002130        
  2     79.7690000              0.0018130        
  3     48.5622000             -0.0116240        
  4     30.1989000              0.0676740        
  5     18.8517000             -0.2999560        
  6     11.7614000              0.7046350        
  7      7.3298200             -0.4663690        
  8      3.8767000             -0.5914920        
  9      1.9492700              0.0262780        
 10      1.2144400              0.5868220        
 11      0.7063900              0.5430650        
 12      0.4094330              0.2037330        
 13      0.2304240              0.0245590        
 14      0.1120740             -0.0009150        
 15      0.0545930             -0.0027140        
S   15
  1    128.0210000              0.0000210        
  2     79.7690000             -0.0003040        
  3     48.5622000              0.0027070        
  4     30.1989000             -0.0189610        
  5     18.8517000              0.0915990        
  6     11.7614000             -0.2249730        
  7      7.3298200              0.1546610        
  8      3.8767000              0.2055560        
  9      1.9492700             -0.0039980        
 10      1.2144400             -0.2574660        
 11      0.7063900             -0.3084040        
 12      0.4094330             -0.2150450        
 13      0.2304240              0.0978160        
 14      0.1120740              0.4934530        
 15      0.0545930              0.5309830        
S   15
  1    128.0210000              0.0000550        
  2     79.7690000             -0.0006130        
  3     48.5622000              0.0049100        
  4     30.1989000             -0.0332520        
  5     18.8517000              0.1602240        
  6     11.7614000             -0.3963830        
  7      7.3298200              0.2773410        
  8      3.8767000              0.3628200        
  9      1.9492700              0.0727200        
 10      1.2144400             -0.6834100        
 11      0.7063900             -0.8141440        
 12      0.4094330             -0.1123420        
 13      0.2304240              1.7087150        
 14      0.1120740              0.5925350        
 15      0.0545930             -1.0797410        
S   15
  1    128.0210000             -0.0000800        
  2     79.7690000             -0.0000040        
  3     48.5622000              0.0042400        
  4     30.1989000             -0.0425880        
  5     18.8517000              0.2317290        
  6     11.7614000             -0.6006620        
  7      7.3298200              0.4229970        
  8      3.8767000              0.6727400        
  9      1.9492700              0.0054660        
 10      1.2144400             -1.8784650        
 11      0.7063900             -1.2199100        
 12      0.4094330              3.6264850        
 13      0.2304240              0.4866040        
 14      0.1120740             -3.0611230        
 15      0.0545930              0.5984560        
S   15
  1    128.0210000             -0.0002200        
  2     79.7690000              0.0007930        
  3     48.5622000              0.0015110        
  4     30.1989000             -0.0366030        
  5     18.8517000              0.2256000        
  6     11.7614000             -0.5949330        
  7      7.3298200              0.3658040        
  8      3.8767000              0.8681320        
  9      1.9492700              0.7539980        
 10      1.2144400             -5.9039300        
 11      0.7063900              3.9582880        
 12      0.4094330              5.5054530        
 13      0.2304240             -8.3495450        
 14      0.1120740              2.6769820        
 15      0.0545930              2.1562470        
S   15
  1    128.0210000              0.0007620        
  2     79.7690000             -0.0035880        
  3     48.5622000              0.0057020        
  4     30.1989000              0.0367400        
  5     18.8517000             -0.3171300        
  6     11.7614000              0.9032690        
  7      7.3298200             -0.5068010        
  8      3.8767000             -2.1985630        
  9      1.9492700              2.3663650        
 10      1.2144400              8.8286120        
 11      0.7063900            -21.9615460        
 12      0.4094330             19.5076120        
 13      0.2304240             -5.6066650        
 14      0.1120740             -4.4225920        
 15      0.0545930              5.8539150        
S   1
  1      0.0262100              1.0000000        
S   1
  1      4.7600000              1.0000000        
S   1
  1      2.8000000              1.0000000        
P   12
  1     44.8241000             -0.0005630        
  2     27.9957000              0.0069070        
  3     17.4892000             -0.0501680        
  4     10.9261000              0.1877100        
  5      6.8251900             -0.2162930        
  6      4.1815300             -0.1695920        
  7      1.5635300              0.3171370        
  8      0.8689660              0.4788210        
  9      0.4668820              0.3119830        
 10      0.2376200              0.0805190        
 11      0.1124500              0.0067540        
 12      0.0520670              0.0009720        
P   12
  1     44.8241000              0.0001090        
  2     27.9957000             -0.0016630        
  3     17.4892000              0.0133690        
  4     10.9261000             -0.0523560        
  5      6.8251900              0.0624070        
  6      4.1815300              0.0487380        
  7      1.5635300             -0.1011590        
  8      0.8689660             -0.1802800        
  9      0.4668820             -0.1366360        
 10      0.2376200              0.0929390        
 11      0.1124500              0.4060920        
 12      0.0520670              0.4865210        
P   12
  1     44.8241000              0.0001430        
  2     27.9957000             -0.0025570        
  3     17.4892000              0.0216370        
  4     10.9261000             -0.0859840        
  5      6.8251900              0.1027430        
  6      4.1815300              0.0819860        
  7      1.5635300             -0.1723800        
  8      0.8689660             -0.3159660        
  9      0.4668820             -0.2428930        
 10      0.2376200              0.4141700        
 11      0.1124500              0.6618400        
 12      0.0520670              0.1647600        
P   12
  1     44.8241000              0.0002040        
  2     27.9957000             -0.0041800        
  3     17.4892000              0.0372120        
  4     10.9261000             -0.1517130        
  5      6.8251900              0.1848990        
  6      4.1815300              0.1538090        
  7      1.5635300             -0.3828860        
  8      0.8689660             -0.9138870        
  9      0.4668820              0.6158340        
 10      0.2376200              1.3591900        
 11      0.1124500             -0.7719430        
 12      0.0520670             -0.5298450        
P   12
  1     44.8241000             -0.0018840        
  2     27.9957000              0.0047740        
  3     17.4892000              0.0293600        
  4     10.9261000             -0.1962880        
  5      6.8251900              0.2458850        
  6      4.1815300              0.3544620        
  7      1.5635300             -1.4928090        
  8      0.8689660             -0.4962540        
  9      0.4668820              3.4838900        
 10      0.2376200             -2.5860700        
 11      0.1124500             -0.1732890        
 12      0.0520670              0.9394390        
P   12
  1     44.8241000             -0.0085310        
  2     27.9957000              0.0375330        
  3     17.4892000             -0.0444050        
  4     10.9261000             -0.1250940        
  5      6.8251900              0.1837830        
  6      4.1815300              0.7029870        
  7      1.5635300             -4.5650170        
  8      0.8689660              6.7760870        
  9      0.4668820             -3.4821490        
 10      0.2376200             -1.0709860        
 11      0.1124500              2.8960140        
 12      0.0520670             -1.7956980        
P   1
  1      0.0236130              1.0000000        
P   1
  1      4.6918000              1.0000000        
P   1
  1      2.9337000              1.0000000        
D   10
  1     35.6782000              0.0000810        
  2     15.4233000             -0.0023430        
  3      9.2438500              0.0200330        
  4      5.0371500             -0.0776750        
  5      1.5468100              0.1491040        
  6      0.8422000              0.2700130        
  7      0.4583880              0.3094120        
  8      0.2475420              0.2705130        
  9      0.1305440              0.1768770        
 10      0.0662290              0.0662320        
D   10
  1     35.6782000             -0.0000100        
  2     15.4233000              0.0020700        
  3      9.2438500             -0.0223950        
  4      5.0371500              0.0942650        
  5      1.5468100             -0.2158830        
  6      0.8422000             -0.4052730        
  7      0.4583880             -0.2654230        
  8      0.2475420              0.2303150        
  9      0.1305440              0.4908810        
 10      0.0662290              0.2989000        
D   10
  1     35.6782000             -0.0000750        
  2     15.4233000             -0.0022060        
  3      9.2438500              0.0308890        
  4      5.0371500             -0.1414110        
  5      1.5468100              0.4576300        
  6      0.8422000              0.6275750        
  7      0.4583880             -0.5604170        
  8      0.2475420             -0.8192870        
  9      0.1305440              0.2636160        
 10      0.0662290              0.5844690        
D   10
  1     35.6782000             -0.0000950        
  2     15.4233000             -0.0028040        
  3      9.2438500              0.0418880        
  4      5.0371500             -0.2028010        
  5      1.5468100              0.9977590        
  6      0.8422000              0.1418660        
  7      0.4583880             -2.0303660        
  8      0.2475420              1.2349000        
  9      0.1305440              0.7676510        
 10      0.0662290             -0.7799460        
D   10
  1     35.6782000              0.0039060        
  2     15.4233000             -0.0236200        
  3      9.2438500              0.0010010        
  4      5.0371500              0.2566630        
  5      1.5468100             -2.4481050        
  6      0.8422000              3.6625230        
  7      0.4583880             -1.4539920        
  8      0.2475420             -1.5880280        
  9      0.1305440              2.2358110        
 10      0.0662290             -0.7062180        
D   1
  1      0.0313960              1.0000000        
D   1
  1      3.9090000              1.0000000        
D   1
  1      2.4451000              1.0000000        
F   1
  1      2.0881000              1.0000000        
F   1
  1      1.1524000              1.0000000        
F   1
  1      0.6360000              1.0000000        
F   1
  1      0.3510000              1.0000000        
F   1
  1      0.1300000              1.0000000        
G   1
  1      2.3485000              1.0000000        
G   1
  1      1.2434000              1.0000000        
G   1
  1      0.6584000              1.0000000        
G   1
  1      0.2465000              1.0000000        
H   1
  1      2.2047000              1.0000000        
H   1
  1      1.1262000              1.0000000        
H   1
  1      0.4222000              1.0000000        
I   1
  1      2.0623000              1.0000000        
I   1
  1      0.8048000              1.0000000


name: cc-pwCV5Z-PP
description: cc-pwCV5Z-PP for Hf - Pt
elt: Re
data:
RHENIUM
S   15
  1    202.7120000             -0.0000180        
  2     83.1287000              0.0008080        
  3     51.6714000             -0.0070970        
  4     32.2470000              0.0479820        
  5     20.1306000             -0.2305260        
  6     12.5747000              0.5362550        
  7      7.3845200             -0.3065170        
  8      4.1728600             -0.6272000        
  9      2.6071100             -0.0086210        
 10      1.2876400              0.6405810        
 11      0.7176620              0.5579870        
 12      0.4005670              0.1652750        
 13      0.2323290              0.0172950        
 14      0.1127560              0.0025800        
 15      0.0551780              0.0002910        
S   14
  1     83.1287000             -0.0001630        
  2     51.6714000              0.0018440        
  3     32.2470000             -0.0144650        
  4     20.1306000              0.0746010        
  5     12.5747000             -0.1808000        
  6      7.3845200              0.1099330        
  7      4.1728600              0.2250530        
  8      2.6071100              0.0049640        
  9      1.2876400             -0.2913340        
 10      0.7176620             -0.3384660        
 11      0.4005670             -0.1805940        
 12      0.2323290              0.1402910        
 13      0.1127560              0.5017990        
 14      0.0551780              0.5030990        
S   15
  1    202.7120000              0.0000180        
  2     83.1287000             -0.0005500        
  3     51.6714000              0.0042800        
  4     32.2470000             -0.0276130        
  5     20.1306000              0.1340070        
  6     12.5747000             -0.3229860        
  7      7.3845200              0.2097760        
  8      4.1728600              0.3620910        
  9      2.6071100              0.0961150        
 10      1.2876400             -0.7498160        
 11      0.7176620             -0.8648990        
 12      0.4005670              0.1811020        
 13      0.2323290              1.6121400        
 14      0.1127560              0.4387040        
 15      0.0551780             -1.0489500        
S   15
  1    202.7120000             -0.0000310        
  2     83.1287000              0.0008940        
  3     51.6714000             -0.0067490        
  4     32.2470000              0.0434530        
  5     20.1306000             -0.2145210        
  6     12.5747000              0.5288540        
  7      7.3845200             -0.3532480        
  8      4.1728600             -0.6775470        
  9      2.6071100             -0.1518750        
 10      1.2876400              2.4519750        
 11      0.7176620              0.4384750        
 12      0.4005670             -4.0072560        
 13      0.2323290              0.6936150        
 14      0.1127560              2.7050750        
 15      0.0551780             -0.8795670        
S   15
  1    202.7120000              0.0002350        
  2     83.1287000             -0.0032670        
  3     51.6714000              0.0109550        
  4     32.2470000             -0.0003660        
  5     20.1306000             -0.1431730        
  6     12.5747000              0.4397380        
  7      7.3845200             -0.1194760        
  8      4.1728600             -1.3118760        
  9      2.6071100             -0.1557260        
 10      1.2876400              6.5286810        
 11      0.7176620             -7.6129680        
 12      0.4005670             -1.2325140        
 13      0.2323290              7.2714920        
 14      0.1127560             -4.1794340        
 15      0.0551780             -0.5759050        
S   15
  1    202.7120000              0.0034650        
  2     83.1287000             -0.0537890        
  3     51.6714000              0.2267930        
  4     32.2470000             -0.5545730        
  5     20.1306000              0.8903070        
  6     12.5747000             -1.0481350        
  7      7.3845200              2.4122880        
  8      4.1728600             -7.5736620        
  9      2.6071100              8.1469280        
 10      1.2876400              2.9438290        
 11      0.7176620            -17.3320220        
 12      0.4005670             23.0838870        
 13      0.2323290            -13.5879670        
 14      0.1127560              1.0859110        
 15      0.0551780              3.3164740        
S   1
  1      0.0266950              1.0000000        
S   1
  1      5.1735000              1.0000000        
S   1
  1      3.0203000              1.0000000        
P   12
  1     47.9533000             -0.0002760        
  2     29.9457000              0.0040490        
  3     18.7024000             -0.0333890        
  4     11.6818000              0.1349390        
  5      7.2963600             -0.1401110        
  6      4.5317300             -0.2024650        
  7      1.6000200              0.3485480        
  8      0.8859210              0.4802570        
  9      0.4730370              0.2920020        
 10      0.2358480              0.0674260        
 11      0.1111810              0.0045690        
 12      0.0515630              0.0010030        
P   12
  1     47.9533000              0.0000660        
  2     29.9457000             -0.0011030        
  3     18.7024000              0.0097100        
  4     11.6818000             -0.0407390        
  5      7.2963600              0.0446200        
  6      4.5317300              0.0607640        
  7      1.6000200             -0.1211460        
  8      0.8859210             -0.1957700        
  9      0.4730370             -0.1230670        
 10      0.2358480              0.1476650        
 11      0.1111810              0.4461360        
 12      0.0515630              0.4517640        
P   12
  1     47.9533000              0.0000970        
  2     29.9457000             -0.0017690        
  3     18.7024000              0.0159300        
  4     11.6818000             -0.0672890        
  5      7.2963600              0.0740170        
  6      4.5317300              0.1009150        
  7      1.6000200             -0.2052230        
  8      0.8859210             -0.3536700        
  9      0.4730370             -0.1740060        
 10      0.2358480              0.5158270        
 11      0.1111810              0.5958240        
 12      0.0515630              0.1163270        
P   12
  1     47.9533000             -0.0000210        
  2     29.9457000              0.0022630        
  3     18.7024000             -0.0256330        
  4     11.6818000              0.1152090        
  5      7.2963600             -0.1268210        
  6      4.5317300             -0.1981360        
  7      1.6000200              0.5068520        
  8      0.8859210              0.9103290        
  9      0.4730370             -1.0009770        
 10      0.2358480             -1.0597320        
 11      0.1111810              0.9144500        
 12      0.0515630              0.3787070        
P   12
  1     47.9533000              0.0044250        
  2     29.9457000             -0.0194640        
  3     18.7024000              0.0222630        
  4     11.6818000              0.0693960        
  5      7.2963600             -0.0499830        
  6      4.5317300             -0.5122240        
  7      1.6000200              2.0349300        
  8      0.8859210             -0.5892110        
  9      0.4730370             -2.7862130        
 10      0.2358480              2.8600090        
 11      0.1111810             -0.4498560        
 12      0.0515630             -0.6745750        
P   12
  1     47.9533000              0.0095020        
  2     29.9457000             -0.0541850        
  3     18.7024000              0.1976230        
  4     11.6818000             -0.5605200        
  5      7.2963600              0.7615590        
  6      4.5317300              0.2039630        
  7      1.6000200             -4.6023340        
  8      0.8859210              8.0439570        
  9      0.4730370             -5.8869540        
 10      0.2358480              1.2584620        
 11      0.1111810              1.5587300        
 12      0.0515630             -1.4244990        
P   1
  1      0.0235420              1.0000000        
P   1
  1      4.8084000              1.0000000        
P   1
  1      3.0073000              1.0000000        
D   10
  1     35.7309000              0.0000990        
  2     16.0515000             -0.0015020        
  3      9.9659100              0.0122100        
  4      5.0281700             -0.0671390        
  5      1.7427600              0.1216760        
  6      1.0452000              0.2158010        
  7      0.6077840              0.2894700        
  8      0.3294000              0.2946000        
  9      0.1679870              0.2175370        
 10      0.0816530              0.1022850        
D   10
  1     35.7309000             -0.0000910        
  2     16.0515000              0.0014570        
  3      9.9659100             -0.0130710        
  4      5.0281700              0.0758260        
  5      1.7427600             -0.1508580        
  6      1.0452000             -0.3139560        
  7      0.6077840             -0.3290430        
  8      0.3294000              0.0602180        
  9      0.1679870              0.4784460        
 10      0.0816530              0.4104690        
D   10
  1     35.7309000              0.0001730        
  2     16.0515000             -0.0003060        
  3      9.9659100             -0.0147100        
  4      5.0281700              0.1185220        
  5      1.7427600             -0.3719350        
  6      1.0452000             -0.5457170        
  7      0.6077840              0.0674260        
  8      0.3294000              0.8900820        
  9      0.1679870              0.1737840        
 10      0.0816530             -0.6452820        
D   10
  1     35.7309000              0.0006500        
  2     16.0515000             -0.0067020        
  3      9.9659100              0.0371030        
  4      5.0281700             -0.1942700        
  5      1.7427600              0.7473670        
  6      1.0452000              0.8063190        
  7      0.6077840             -1.9285380        
  8      0.3294000              0.1008470        
  9      0.1679870              1.3672990        
 10      0.0816530             -0.5654600        
D   10
  1     35.7309000             -0.0019430        
  2     16.0515000              0.0120540        
  3      9.9659100              0.0105860        
  4      5.0281700             -0.2881360        
  5      1.7427600              2.5644120        
  6      1.0452000             -2.7590000        
  7      0.6077840             -0.6513700        
  8      0.3294000              2.7968950        
  9      0.1679870             -1.8294110        
 10      0.0816530             -0.0374110        
D   1
  1      0.0372670              1.0000000        
D   1
  1      4.1725000              1.0000000        
D   1
  1      2.6099000              1.0000000        
F   1
  1      2.3575000              1.0000000        
F   1
  1      1.3103000              1.0000000        
F   1
  1      0.7283000              1.0000000        
F   1
  1      0.4048000              1.0000000        
F   1
  1      0.1505000              1.0000000        
G   1
  1      2.5741000              1.0000000        
G   1
  1      1.3959000              1.0000000        
G   1
  1      0.7569000              1.0000000        
G   1
  1      0.2909000              1.0000000        
H   1
  1      2.4000000              1.0000000        
H   1
  1      1.2727000              1.0000000        
H   1
  1      0.5023000              1.0000000        
I   1
  1      2.3717000              1.0000000        
I   1
  1      1.0694000              1.0000000


name: cc-pwCV5Z-PP
description: cc-pwCV5Z-PP for Hf - Pt
elt: Os
data:
OSMIUM
S   15
  1    227.2160000             -0.0000080        
  2     88.9180000              0.0006500        
  3     55.3980000             -0.0057630        
  4     34.5047000              0.0395840        
  5     21.5498000             -0.1899940        
  6     13.3429000              0.4393550        
  7      7.2939800             -0.2162190        
  8      4.4707900             -0.6369810        
  9      2.5034400             -0.0856790        
 10      1.5041300              0.5520460        
 11      0.8808490              0.5880240        
 12      0.5112780              0.2614560        
 13      0.2785370              0.0386370        
 14      0.1317160              0.0025830        
 15      0.0626290              0.0009850        
S   15
  1    227.2160000             -0.0000010        
  2     88.9180000             -0.0001530        
  3     55.3980000              0.0016120        
  4     34.5047000             -0.0123980        
  5     21.5498000              0.0631760        
  6     13.3429000             -0.1520640        
  7      7.2939800              0.0829460        
  8      4.4707900              0.2314950        
  9      2.5034400              0.0334930        
 10      1.5041300             -0.2523020        
 11      0.8808490             -0.3237270        
 12      0.5112780             -0.2363270        
 13      0.2785370              0.0729300        
 14      0.1317160              0.4772580        
 15      0.0626290              0.5415620        
S   15
  1    227.2160000              0.0000110        
  2     88.9180000             -0.0004860        
  3     55.3980000              0.0038370        
  4     34.5047000             -0.0252950        
  5     21.5498000              0.1232880        
  6     13.3429000             -0.2967180        
  7      7.2939800              0.1764350        
  8      4.4707900              0.4257760        
  9      2.5034400              0.1812150        
 10      1.5041300             -0.7732490        
 11      0.8808490             -0.9496670        
 12      0.5112780             -0.0491560        
 13      0.2785370              1.7480150        
 14      0.1317160              0.4745020        
 15      0.0626290             -1.0206450        
S   15
  1    227.2160000              0.0000570        
  2     88.9180000             -0.0005270        
  3     55.3980000             -0.0002760        
  4     34.5047000              0.0237580        
  5     21.5498000             -0.1612420        
  6     13.3429000              0.4238590        
  7      7.2939800             -0.2128580        
  8      4.4707900             -0.8411380        
  9      2.5034400             -0.3547180        
 10      1.5041300              2.5012250        
 11      0.8808490              1.5206040        
 12      0.5112780             -4.7077430        
 13      0.2785370              0.5173180        
 14      0.1317160              2.8011500        
 15      0.0626290             -1.0530940        
S   15
  1    227.2160000              0.0003020        
  2     88.9180000             -0.0046580        
  3     55.3980000              0.0171120        
  4     34.5047000             -0.0161720        
  5     21.5498000             -0.1164320        
  6     13.3429000              0.4081330        
  7      7.2939800              0.1057120        
  8      4.4707900             -2.0385030        
  9      2.5034400             -0.1832490        
 10      1.5041300              8.8048900        
 11      0.8808490            -10.0151690        
 12      0.5112780             -0.2302100        
 13      0.2785370              7.0274320        
 14      0.1317160             -4.7555670        
 15      0.0626290              0.3846600        
S   15
  1    227.2160000              0.0022710        
  2     88.9180000             -0.0383040        
  3     55.3980000              0.1614460        
  4     34.5047000             -0.3854960        
  5     21.5498000              0.5500720        
  6     13.3429000             -0.5047640        
  7      7.2939800              2.4002110        
  8      4.4707900             -8.2280540        
  9      2.5034400             11.7973900        
 10      1.5041300             -0.0520600        
 11      0.8808490            -19.9171480        
 12      0.5112780             25.5954690        
 13      0.2785370            -15.0580250        
 14      0.1317160              3.5673590        
 15      0.0626290              1.5404740        
S   1
  1      0.0295780              1.0000000        
S   1
  1      5.6778000              1.0000000        
S   1
  1      3.3400000              1.0000000        
P   12
  1     50.5874000             -0.0001780        
  2     31.5906000              0.0031850        
  3     19.7305000             -0.0284180        
  4     12.3248000              0.1191540        
  5      7.6982400             -0.1170170        
  6      4.7632200             -0.2175890        
  7      1.6802200              0.3609010        
  8      0.9331860              0.4826620        
  9      0.4989040              0.2839670        
 10      0.2484490              0.0632460        
 11      0.1156230              0.0042670        
 12      0.0529260              0.0008460        
P   12
  1     50.5874000              0.0000520        
  2     31.5906000             -0.0009170        
  3     19.7305000              0.0083100        
  4     12.3248000             -0.0357720        
  5      7.6982400              0.0376310        
  6      4.7632200              0.0635160        
  7      1.6802200             -0.1247100        
  8      0.9331860             -0.1901510        
  9      0.4989040             -0.1125450        
 10      0.2484490              0.1468150        
 11      0.1156230              0.4354470        
 12      0.0529260              0.4550710        
P   12
  1     50.5874000              0.0000480        
  2     31.5906000             -0.0014300        
  3     19.7305000              0.0145560        
  4     12.3248000             -0.0644830        
  5      7.6982400              0.0678250        
  6      4.7632200              0.1188800        
  7      1.6802200             -0.2396480        
  8      0.9331860             -0.3999740        
  9      0.4989040             -0.1150490        
 10      0.2484490              0.5925270        
 11      0.1156230              0.5415260        
 12      0.0529260              0.0798220        
P   12
  1     50.5874000              0.0004710        
  2     31.5906000             -0.0005060        
  3     19.7305000             -0.0165620        
  4     12.3248000              0.0954490        
  5      7.6982400             -0.0949800        
  6      4.7632200             -0.2453950        
  7      1.6802200              0.6373810        
  8      0.9331860              0.8797360        
  9      0.4989040             -1.2780900        
 10      0.2484490             -0.7832380        
 11      0.1156230              0.9608010        
 12      0.0529260              0.2828430        
P   12
  1     50.5874000              0.0058520        
  2     31.5906000             -0.0273330        
  3     19.7305000              0.0473740        
  4     12.3248000              0.0133890        
  5      7.6982400              0.0414600        
  6      4.7632200             -0.6358230        
  7      1.6802200              2.5600610        
  8      0.9331860             -1.6019820        
  9      0.4989040             -2.0350280        
 10      0.2484490              2.8242020        
 11      0.1156230             -0.7670580        
 12      0.0529260             -0.5063300        
P   12
  1     50.5874000              0.0287000        
  2     31.5906000             -0.1526390        
  3     19.7305000              0.4666400        
  4     12.3248000             -1.0736960        
  5      7.6982400              1.4665880        
  6      4.7632200             -0.3475880        
  7      1.6802200             -4.4515830        
  8      0.9331860              8.6243800        
  9      0.4989040             -7.2754890        
 10      0.2484490              2.7515100        
 11      0.1156230              0.5647000        
 12      0.0529260             -1.0633800        
P   1
  1      0.0238640              1.0000000        
P   1
  1      5.0518000              1.0000000        
P   1
  1      3.1598000              1.0000000        
D   10
  1     34.7251000              0.0001770        
  2     18.4921000             -0.0014600        
  3     11.5470000              0.0090810        
  4      5.3023800             -0.0626140        
  5      1.8076600              0.1422720        
  6      1.0508200              0.2494720        
  7      0.5992150              0.2973920        
  8      0.3269350              0.2744110        
  9      0.1699930              0.1905300        
 10      0.0845740              0.0850110        
D   10
  1     34.7251000             -0.0002550        
  2     18.4921000              0.0018950        
  3     11.5470000             -0.0109550        
  4      5.3023800              0.0761900        
  5      1.8076600             -0.1919640        
  6      1.0508200             -0.4022390        
  7      0.5992150             -0.2705850        
  8      0.3269350              0.2026700        
  9      0.1699930              0.4974950        
 10      0.0845740              0.3210020        
D   10
  1     34.7251000             -0.0003770        
  2     18.4921000              0.0026750        
  3     11.5470000             -0.0165250        
  4      5.3023800              0.1264650        
  5      1.8076600             -0.4975880        
  6      1.0508200             -0.6159520        
  7      0.5992150              0.5117290        
  8      0.3269350              0.8300070        
  9      0.1699930             -0.1728380        
 10      0.0845740             -0.5995710        
D   10
  1     34.7251000              0.0030890        
  2     18.4921000             -0.0175070        
  3     11.5470000              0.0492840        
  4      5.3023800             -0.2305210        
  5      1.8076600              1.2697920        
  6      1.0508200             -0.0744860        
  7      0.5992150             -2.0270440        
  8      0.3269350              1.1913850        
  9      0.1699930              0.7435960        
 10      0.0845740             -0.6930140        
D   10
  1     34.7251000              0.0092970        
  2     18.4921000             -0.0443470        
  3     11.5470000              0.0482340        
  4      5.3023800              0.2227540        
  5      1.8076600             -3.0458800        
  6      1.0508200              4.8903840        
  7      0.5992150             -2.3993660        
  8      0.3269350             -1.0524210        
  9      0.1699930              1.8297370        
 10      0.0845740             -0.4714890        
D   1
  1      0.0394930              1.0000000        
D   1
  1      4.5375000              1.0000000        
D   1
  1      2.8379000              1.0000000        
F   1
  1      2.8422000              1.0000000        
F   1
  1      1.5620000              1.0000000        
F   1
  1      0.8584000              1.0000000        
F   1
  1      0.4718000              1.0000000        
F   1
  1      0.1790000              1.0000000        
G   1
  1      2.8123000              1.0000000        
G   1
  1      1.5545000              1.0000000        
G   1
  1      0.8593000              1.0000000        
G   1
  1      0.3375000              1.0000000        
H   1
  1      2.5874000              1.0000000        
H   1
  1      1.4140000              1.0000000        
H   1
  1      0.5777000              1.0000000        
I   1
  1      2.5764000              1.0000000        
I   1
  1      1.2206000              1.0000000


name: cc-pwCV5Z-PP
description: cc-pwCV5Z-PP for Hf - Pt
elt: Ir
data:
IRIDIUM
S   15
  1    361.1680000              0.0000040        
  2     95.8674000              0.0004220        
  3     59.8527000             -0.0040300        
  4     36.8252000              0.0307260        
  5     23.0133000             -0.1493440        
  6     13.6810000              0.3885650        
  7      7.2456100             -0.2202300        
  8      4.5281600             -0.6578940        
  9      2.4987800             -0.0279080        
 10      1.5530900              0.5449680        
 11      0.9423020              0.5678570        
 12      0.5460880              0.2781940        
 13      0.2707930              0.0345870        
 14      0.1347530              0.0006840        
 15      0.0645530              0.0017070        
S   15
  1    361.1680000             -0.0000030        
  2     95.8674000             -0.0001010        
  3     59.8527000              0.0011370        
  4     36.8252000             -0.0097400        
  5     23.0133000              0.0502470        
  6     13.6810000             -0.1366010        
  7      7.2456100              0.0874040        
  8      4.5281600              0.2420290        
  9      2.4987800              0.0058910        
 10      1.5530900             -0.2514300        
 11      0.9423020             -0.3171260        
 12      0.5460880             -0.2305500        
 13      0.2707930              0.0921320        
 14      0.1347530              0.4742620        
 15      0.0645530              0.5251200        
S   15
  1    361.1680000             -0.0000120        
  2     95.8674000              0.0000220        
  3     59.8527000              0.0011840        
  4     36.8252000             -0.0162530        
  5     23.0133000              0.0943350        
  6     13.6810000             -0.2669410        
  7      7.2456100              0.1671060        
  8      4.5281600              0.5184990        
  9      2.4987800              0.0818770        
 10      1.5530900             -0.7655880        
 11      0.9423020             -1.1753020        
 12      0.5460880              0.4390200        
 13      0.2707930              1.6679210        
 14      0.1347530              0.1623000        
 15      0.0645530             -0.9114440        
S   15
  1    361.1680000             -0.0000430        
  2     95.8674000              0.0009120        
  3     59.8527000             -0.0024220        
  4     36.8252000             -0.0123750        
  5     23.0133000              0.1191320        
  6     13.6810000             -0.3734900        
  7      7.2456100              0.1842790        
  8      4.5281600              0.9847650        
  9      2.4987800              0.3903310        
 10      1.5530900             -3.3148990        
 11      0.9423020             -0.6367640        
 12      0.5460880              4.7062010        
 13      0.2707930             -1.2718210        
 14      0.1347530             -2.2196150        
 15      0.0645530              1.0516060        
S   15
  1    361.1680000              0.0001580        
  2     95.8674000             -0.0045610        
  3     59.8527000              0.0190690        
  4     36.8252000             -0.0278300        
  5     23.0133000             -0.0770850        
  6     13.6810000              0.3776980        
  7      7.2456100              0.2467920        
  8      4.5281600             -2.9518890        
  9      2.4987800              1.7915660        
 10      1.5530900              8.4440360        
 11      0.9423020            -12.7502280        
 12      0.5460880              3.6778990        
 13      0.2707930              4.6672140        
 14      0.1347530             -4.5177760        
 15      0.0645530              0.5860350        
S   15
  1    361.1680000              0.0008230        
  2     95.8674000             -0.0264250        
  3     59.8527000              0.1204600        
  4     36.8252000             -0.3013830        
  5     23.0133000              0.4065180        
  6     13.6810000             -0.3126660        
  7      7.2456100              2.5994090        
  8      4.5281600            -10.1706390        
  9      2.4987800             19.6716040        
 10      1.5530900            -12.5903850        
 11      0.9423020             -9.0398800        
 12      0.5460880             18.1973900        
 13      0.2707930            -13.0305380        
 14      0.1347530              5.0367020        
 15      0.0645530              0.6544030        
S   1
  1      0.0305960              1.0000000        
S   1
  1      6.0167000              1.0000000        
S   1
  1      3.2700000              1.0000000        
P   12
  1     53.1489000             -0.0001030        
  2     33.1807000              0.0025820        
  3     20.7203000             -0.0250280        
  4     12.9411000              0.1092320        
  5      8.0825100             -0.1054160        
  6      4.9702700             -0.2259200        
  7      1.7771000              0.3652150        
  8      0.9950100              0.4810560        
  9      0.5365460              0.2820320        
 10      0.2710670              0.0645840        
 11      0.1272520              0.0048890        
 12      0.0586070              0.0007820        
P   12
  1     53.1489000              0.0000390        
  2     33.1807000             -0.0008160        
  3     20.7203000              0.0077660        
  4     12.9411000             -0.0345780        
  5      8.0825100              0.0360390        
  6      4.9702700              0.0691030        
  7      1.7771000             -0.1335600        
  8      0.9950100             -0.1988110        
  9      0.5365460             -0.1141680        
 10      0.2710670              0.1535450        
 11      0.1272520              0.4405510        
 12      0.0586070              0.4502280        
P   12
  1     53.1489000             -0.0000300        
  2     33.1807000             -0.0010390        
  3     20.7203000              0.0137040        
  4     12.9411000             -0.0653110        
  5      8.0825100              0.0677430        
  6      4.9702700              0.1416070        
  7      1.7771000             -0.2919340        
  8      0.9950100             -0.4527000        
  9      0.5365460             -0.0364810        
 10      0.2710670              0.6228330        
 11      0.1272520              0.4918100        
 12      0.0586070              0.0711760        
P   12
  1     53.1489000             -0.0011260        
  2     33.1807000              0.0040110        
  3     20.7203000              0.0061050        
  4     12.9411000             -0.0757750        
  5      8.0825100              0.0665900        
  6      4.9702700              0.2985190        
  7      1.7771000             -0.8076210        
  8      0.9950100             -0.7711620        
  9      0.5365460              1.4513640        
 10      0.2710670              0.5601930        
 11      0.1272520             -0.9311020        
 12      0.0586070             -0.2665940        
P   12
  1     53.1489000              0.0046160        
  2     33.1807000             -0.0212600        
  3     20.7203000              0.0324680        
  4     12.9411000              0.0409210        
  5      8.0825100              0.0091310        
  6      4.9702700             -0.6754230        
  7      1.7771000              3.0768790        
  8      0.9950100             -2.6418560        
  9      0.5365460             -1.2075110        
 10      0.2710670              2.5945410        
 11      0.1272520             -0.8176030        
 12      0.0586070             -0.4631340        
P   12
  1     53.1489000              0.0465730        
  2     33.1807000             -0.2446060        
  3     20.7203000              0.7206110        
  4     12.9411000             -1.5722170        
  5      8.0825100              2.1856100        
  6      4.9702700             -0.9564670        
  7      1.7771000             -4.1001950        
  8      0.9950100              8.7850890        
  9      0.5365460             -8.0886650        
 10      0.2710670              3.5879200        
 11      0.1272520              0.1045200        
 12      0.0586070             -0.8912610        
P   1
  1      0.0264540              1.0000000        
P   1
  1      5.3731000              1.0000000        
P   1
  1      3.3610000              1.0000000        
D   10
  1     43.8130000              0.0001190        
  2     19.8991000             -0.0011270        
  3     12.4262000              0.0081710        
  4      5.6402700             -0.0616520        
  5      1.8794500              0.1618800        
  6      1.0692500              0.2756330        
  7      0.5995540              0.3042190        
  8      0.3259080              0.2590940        
  9      0.1707020              0.1672860        
 10      0.0861840              0.0688650        
D   10
  1     43.8130000             -0.0001920        
  2     19.8991000              0.0016040        
  3     12.4262000             -0.0098070        
  4      5.6402700              0.0722610        
  5      1.8794500             -0.2126390        
  6      1.0692500             -0.4143280        
  7      0.5995540             -0.2072930        
  8      0.3259080              0.2166400        
  9      0.1707020              0.4503280        
 10      0.0861840              0.3260470        
D   10
  1     43.8130000              0.0006010        
  2     19.8991000             -0.0044620        
  3     12.4262000              0.0187110        
  4      5.6402700             -0.1203430        
  5      1.8794500              0.5070940        
  6      1.0692500              0.5686510        
  7      0.5995540             -0.5572300        
  8      0.3259080             -0.7057520        
  9      0.1707020              0.0897640        
 10      0.0861840              0.5713880        
D   10
  1     43.8130000              0.0019920        
  2     19.8991000             -0.0144700        
  3     12.4262000              0.0443120        
  4      5.6402700             -0.2210940        
  5      1.8794500              1.3855020        
  6      1.0692500             -0.4492360        
  7      0.5995540             -1.6111680        
  8      0.3259080              1.0072380        
  9      0.1707020              0.7000400        
 10      0.0861840             -0.5103520        
D   10
  1     43.8130000              0.0066070        
  2     19.8991000             -0.0416800        
  3     12.4262000              0.0540540        
  4      5.6402700              0.1831770        
  5      1.8794500             -2.8487810        
  6      1.0692500              4.7681860        
  7      0.5995540             -2.6811700        
  8      0.3259080             -0.6021470        
  9      0.1707020              1.4415890        
 10      0.0861840             -0.1580950        
D   1
  1      0.0410370              1.0000000        
D   1
  1      4.7974000              1.0000000        
D   1
  1      3.0012000              1.0000000        
F   1
  1      3.2322000              1.0000000        
F   1
  1      1.7817000              1.0000000        
F   1
  1      0.9821000              1.0000000        
F   1
  1      0.5414000              1.0000000        
F   1
  1      0.2087000              1.0000000        
G   1
  1      3.0494000              1.0000000        
G   1
  1      1.7230000              1.0000000        
G   1
  1      0.9735000              1.0000000        
G   1
  1      0.3884000              1.0000000        
H   1
  1      2.7795000              1.0000000        
H   1
  1      1.5636000              1.0000000        
H   1
  1      0.6562000              1.0000000        
I   1
  1      2.7820000              1.0000000        
I   1
  1      1.3796000              1.0000000


name: cc-pwCV5Z-PP
description: cc-pwCV5Z-PP for Hf - Pt
elt: Pt
data:
PLATINUM
S   15
  1    413.6000000              0.0000060        
  2    103.5350000              0.0004160        
  3     64.1243000             -0.0038720        
  4     39.8615000              0.0264020        
  5     24.7987000             -0.1193560        
  6     13.9302000              0.3575240        
  7      7.8013800             -0.1644950        
  8      4.8699100             -0.6967770        
  9      2.7428100             -0.0777230        
 10      1.7119200              0.5375150        
 11      1.0158000              0.6169060        
 12      0.5725730              0.2761470        
 13      0.2878640              0.0315070        
 14      0.1415920              0.0018730        
 15      0.0675100              0.0015970        
S   15
  1    413.6000000             -0.0000030        
  2    103.5350000             -0.0001160        
  3     64.1243000              0.0011680        
  4     39.8615000             -0.0085740        
  5     24.7987000              0.0407120        
  6     13.9302000             -0.1279210        
  7      7.8013800              0.0692260        
  8      4.8699100              0.2586680        
  9      2.7428100              0.0219490        
 10      1.7119200             -0.2466890        
 11      1.0158000             -0.3419970        
 12      0.5725730             -0.2239690        
 13      0.2878640              0.0985710        
 14      0.1415920              0.4687040        
 15      0.0675100              0.5216110        
S   15
  1    413.6000000             -0.0000090        
  2    103.5350000             -0.0001020        
  3     64.1243000              0.0016960        
  4     39.8615000             -0.0155390        
  5     24.7987000              0.0798540        
  6     13.9302000             -0.2597120        
  7      7.8013800              0.1412320        
  8      4.8699100              0.5472760        
  9      2.7428100              0.1708990        
 10      1.7119200             -0.8336090        
 11      1.0158000             -1.2372210        
 12      0.5725730              0.5347410        
 13      0.2878640              1.6196050        
 14      0.1415920              0.0999360        
 15      0.0675100             -0.8380750        
S   15
  1    413.6000000             -0.0000230        
  2    103.5350000              0.0001920        
  3     64.1243000              0.0006930        
  4     39.8615000             -0.0173180        
  5     24.7987000              0.1061720        
  6     13.9302000             -0.3657080        
  7      7.8013800              0.1730430        
  8      4.8699100              0.9047650        
  9      2.7428100              0.7788370        
 10      1.7119200             -3.6748070        
 11      1.0158000             -0.2814290        
 12      0.5725730              4.3832080        
 13      0.2878640             -1.3107940        
 14      0.1415920             -2.0136030        
 15      0.0675100              0.8160260        
S   15
  1    413.6000000              0.0001010        
  2    103.5350000             -0.0028110        
  3     64.1243000              0.0117530        
  4     39.8615000             -0.0121690        
  5     24.7987000             -0.0757860        
  6     13.9302000              0.3634740        
  7      7.8013800              0.2182630        
  8      4.8699100             -2.5719310        
  9      2.7428100              0.7049640        
 10      1.7119200              8.4353250        
 11      1.0158000            -10.7771740        
 12      0.5725730              2.0354810        
 13      0.2878640              4.8458390        
 14      0.1415920             -3.8200850        
 15      0.0675100             -0.1992670        
S   15
  1    413.6000000              0.0007230        
  2    103.5350000             -0.0245520        
  3     64.1243000              0.1165430        
  4     39.8615000             -0.2862430        
  5     24.7987000              0.3824860        
  6     13.9302000             -0.4129910        
  7      7.8013800              2.9730610        
  8      4.8699100            -10.5360960        
  9      2.7428100             17.8678350        
 10      1.7119200             -8.5137410        
 11      1.0158000            -10.8888750        
 12      0.5725730             16.9161650        
 13      0.2878640            -10.5173940        
 14      0.1415920              2.4231110        
 15      0.0675100              2.1083970        
S   1
  1      0.0318870              1.0000000        
S   1
  1      5.7615000              1.0000000        
S   1
  1      3.5732000              1.0000000        
P   12
  1    393.3780000              0.0000050        
  2     34.4003000              0.0019530        
  3     21.4843000             -0.0225700        
  4     13.4194000              0.1043340        
  5      8.3804900             -0.1002180        
  6      5.1899400             -0.2322400        
  7      1.8586300              0.3832730        
  8      1.0315300              0.4888420        
  9      0.5492050              0.2701700        
 10      0.2700570              0.0549560        
 11      0.1241700              0.0032310        
 12      0.0562650              0.0007140        
P   12
  1    393.3780000             -0.0000010        
  2     34.4003000             -0.0005970        
  3     21.4843000              0.0067220        
  4     13.4194000             -0.0315200        
  5      8.3804900              0.0334640        
  6      5.1899400              0.0654460        
  7      1.8586300             -0.1329850        
  8      1.0315300             -0.1837780        
  9      0.5492050             -0.0979100        
 10      0.2700570              0.1553100        
 11      0.1241700              0.4305860        
 12      0.0562650              0.4499480        
P   12
  1    393.3780000             -0.0000040        
  2     34.4003000             -0.0010070        
  3     21.4843000              0.0133030        
  4     13.4194000             -0.0659420        
  5      8.3804900              0.0680320        
  6      5.1899400              0.1546200        
  7      1.8586300             -0.3345030        
  8      1.0315300             -0.4867300        
  9      0.5492050              0.0680490        
 10      0.2700570              0.6768730        
 11      0.1241700              0.4130540        
 12      0.0562650              0.0407020        
P   12
  1    393.3780000             -0.0000200        
  2     34.4003000              0.0006900        
  3     21.4843000              0.0096580        
  4     13.4194000             -0.0763270        
  5      8.3804900              0.0588180        
  6      5.1899400              0.3278770        
  7      1.8586300             -0.9464050        
  8      1.0315300             -0.6305640        
  9      0.5492050              1.6323920        
 10      0.2700570              0.2341700        
 11      0.1241700             -0.9225510        
 12      0.0562650             -0.1668600        
P   12
  1    393.3780000              0.0000310        
  2     34.4003000             -0.0011490        
  3     21.4843000             -0.0147660        
  4     13.4194000              0.1225100        
  5      8.3804900             -0.0880640        
  6      5.1899400             -0.6398770        
  7      1.8586300              3.3651140        
  8      1.0315300             -3.4776510        
  9      0.5492050             -0.2409940        
 10      0.2700570              2.2262310        
 11      0.1241700             -1.0132520        
 12      0.0562650             -0.3037430        
P   12
  1    393.3780000             -0.0005760        
  2     34.4003000              0.1051820        
  3     21.4843000             -0.5513360        
  4     13.4194000              1.5580790        
  5      8.3804900             -2.4882440        
  6      5.1899400              1.3706840        
  7      1.8586300              3.5240310        
  8      1.0315300             -8.2203150        
  9      0.5492050              8.1974080        
 10      0.2700570             -4.3726250        
 11      0.1241700              0.7179430        
 12      0.0562650              0.5610450        
P   1
  1      0.0251200              1.0000000        
P   1
  1      5.5695000              1.0000000        
P   1
  1      3.4845000              1.0000000        
D   10
  1     58.1968000              0.0000860        
  2     20.2554000             -0.0006670        
  3     12.6079000              0.0076160        
  4      5.8790400             -0.0613110        
  5      1.9818600              0.1725670        
  6      1.1232200              0.2879770        
  7      0.6296090              0.3035360        
  8      0.3455230              0.2480300        
  9      0.1837110              0.1567080        
 10      0.0939850              0.0638530        
D   10
  1     58.1968000             -0.0001370        
  2     20.2554000              0.0010940        
  3     12.6079000             -0.0095830        
  4      5.8790400              0.0753300        
  5      1.9818600             -0.2469430        
  6      1.1232200             -0.4422110        
  7      0.6296090             -0.1577800        
  8      0.3455230              0.2625890        
  9      0.1837110              0.4399190        
 10      0.0939850              0.2968390        
D   10
  1     58.1968000              0.0004750        
  2     20.2554000             -0.0045800        
  3     12.6079000              0.0208790        
  4      5.8790400             -0.1273270        
  5      1.9818600              0.5802830        
  6      1.1232200              0.5251810        
  7      0.6296090             -0.7014920        
  8      0.3455230             -0.6187960        
  9      0.1837110              0.1625180        
 10      0.0939850              0.5585850        
D   10
  1     58.1968000              0.0008940        
  2     20.2554000             -0.0093280        
  3     12.6079000              0.0388740        
  4      5.8790400             -0.2284820        
  5      1.9818600              1.6233820        
  6      1.1232200             -0.9640830        
  7      0.6296090             -1.3247310        
  8      0.3455230              1.1506530        
  9      0.1837110              0.5492260        
 10      0.0939850             -0.5367150        
D   10
  1     58.1968000              0.0057080        
  2     20.2554000             -0.0592650        
  3     12.6079000              0.1047510        
  4      5.8790400              0.1049320        
  5      1.9818600             -2.8794460        
  6      1.1232200              5.3285780        
  7      0.6296090             -3.7713170        
  8      0.3455230              0.2708710        
  9      0.1837110              1.1748770        
 10      0.0939850             -0.1838840        
D   1
  1      0.0451010              1.0000000        
D   1
  1      5.0803000              1.0000000        
D   1
  1      3.1783000              1.0000000        
F   1
  1      3.5678000              1.0000000        
F   1
  1      1.9822000              1.0000000        
F   1
  1      1.1013000              1.0000000        
F   1
  1      0.6119000              1.0000000        
F   1
  1      0.2388000              1.0000000        
G   1
  1      3.2988000              1.0000000        
G   1
  1      1.8978000              1.0000000        
G   1
  1      1.0918000              1.0000000        
G   1
  1      0.4419000              1.0000000        
H   1
  1      2.9743000              1.0000000        
H   1
  1      1.7127000              1.0000000        
H   1
  1      0.7332000              1.0000000        
I   1
  1      2.9763000              1.0000000        
I   1
  1      1.5370000              1.0000000


name: cc-pwCV5Z-RI
elt: Cu
data:
COPPER
S   1
  1     42.877000000            1.0000000        
S   1
  1     25.462800000            1.0000000        
S   1
  1     15.275100000            1.0000000        
S   1
  1      9.1248900000           1.0000000        
S   1
  1      6.0526300000           1.0000000        
S   1
  1      3.6470300000           1.0000000        
S   1
  1      2.2849800000           1.0000000        
S   1
  1      1.1826200000           1.0000000        
S   1
  1      0.62988300000          1.0000000        
S   1
  1      0.31917600000          1.0000000        
S   1
  1      0.15387800000          1.0000000        
S   1
  1      0.84613800000E-01            1.0000000        
S   1
  1      0.46707400000E-01            1.0000000        
P   1
  1     47.397500000            1.0000000        
P   1
  1     27.827300000            1.0000000        
P   1
  1     16.362400000            1.0000000        
P   1
  1     10.633900000            1.0000000        
P   1
  1      6.8786400000           1.0000000        
P   1
  1      3.6306700000           1.0000000        
P   1
  1      2.2483000000           1.0000000        
P   1
  1      1.2010600000           1.0000000        
P   1
  1      0.68421100000          1.0000000        
P   1
  1      0.39041200000          1.0000000        
P   1
  1      0.23137600000          1.0000000        
P   1
  1      0.12009800000          1.0000000        
P   1
  1      0.59732600000E-01            1.0000000        
D   1
  1     39.851000000            1.0000000        
D   1
  1     21.788800000            1.0000000        
D   1
  1     12.505400000            1.0000000        
D   1
  1      8.0829200000           1.0000000        
D   1
  1      5.0054300000           1.0000000        
D   1
  1      3.2823300000           1.0000000        
D   1
  1      2.1406100000           1.0000000        
D   1
  1      1.1141400000           1.0000000        
D   1
  1      0.57048100000          1.0000000        
D   1
  1      0.32828400000          1.0000000        
D   1
  1      0.19177000000          1.0000000        
D   1
  1      0.11126200000          1.0000000        
F   1
  1     42.371900000            1.0000000        
F   1
  1     23.350000000            1.0000000        
F   1
  1     14.096800000            1.0000000        
F   1
  1      9.5418300000           1.0000000        
F   1
  1      6.2574600000           1.0000000        
F   1
  1      4.0424500000           1.0000000        
F   1
  1      2.3793200000           1.0000000        
F   1
  1      1.2883700000           1.0000000        
F   1
  1      0.70009400000          1.0000000        
F   1
  1      0.34630400000          1.0000000        
F   1
  1      0.19779100000          1.0000000        
G   1
  1     59.116400000            1.0000000        
G   1
  1     26.462600000            1.0000000        
G   1
  1     15.494700000            1.0000000        
G   1
  1      9.8343000000           1.0000000        
G   1
  1      6.4194400000           1.0000000        
G   1
  1      4.2400100000           1.0000000        
G   1
  1      2.2241700000           1.0000000        
G   1
  1      1.2140100000           1.0000000        
G   1
  1      0.53984700000          1.0000000        
G   1
  1      0.30477500000          1.0000000        
H   1
  1     28.905700000            1.0000000        
H   1
  1     15.573600000            1.0000000        
H   1
  1     10.650900000            1.0000000        
H   1
  1      6.5428500000           1.0000000        
H   1
  1      4.2973900000           1.0000000        
H   1
  1      2.2828100000           1.0000000        
H   1
  1      0.93873200000          1.0000000        
I   1
  1     20.305700000            1.0000000        
I   1
  1     12.333500000            1.0000000        
I   1
  1      7.7799200000           1.0000000        
I   1
  1      5.6973100000           1.0000000        
I   1
  1      3.4147300000           1.0000000        
I   1
  1      1.7184500000           1.0000000        
K   1
  1     19.536800000            1.0000000        
K   1
  1     12.813400000            1.0000000        
K   1
  1      6.9875100000           1.0000000        
K   1
  1      3.1796700000           1.0000000        
L   1
  1     16.012500000            1.0000000        
L   1
  1      9.4557400000           1.0000000        
L   1
  1      6.1802900000           1.0000000


name: cc-pwCV5Z-RI
elt: Zn
data:
ZINC
S   1
  1     47.115200000            1.0000000        
S   1
  1     27.991800000            1.0000000        
S   1
  1     16.796700000            1.0000000        
S   1
  1     10.029200000            1.0000000        
S   1
  1      6.6480300000           1.0000000        
S   1
  1      4.0045900000           1.0000000        
S   1
  1      2.5659400000           1.0000000        
S   1
  1      1.3908100000           1.0000000        
S   1
  1      0.76734900000          1.0000000        
S   1
  1      0.41301700000          1.0000000        
S   1
  1      0.21334500000          1.0000000        
S   1
  1      0.11801400000          1.0000000        
S   1
  1      0.61662700000E-01            1.0000000        
P   1
  1     52.138300000            1.0000000        
P   1
  1     30.634600000            1.0000000        
P   1
  1     18.038500000            1.0000000        
P   1
  1     11.735900000            1.0000000        
P   1
  1      7.5904200000           1.0000000        
P   1
  1      4.3444600000           1.0000000        
P   1
  1      2.7920900000           1.0000000        
P   1
  1      1.5244100000           1.0000000        
P   1
  1      0.84109300000          1.0000000        
P   1
  1      0.45395900000          1.0000000        
P   1
  1      0.25802500000          1.0000000        
P   1
  1      0.13431700000          1.0000000        
P   1
  1      0.69370700000E-01            1.0000000        
D   1
  1     43.949800000            1.0000000        
D   1
  1     24.249000000            1.0000000        
D   1
  1     13.923100000            1.0000000        
D   1
  1      8.9364100000           1.0000000        
D   1
  1      5.4981600000           1.0000000        
D   1
  1      4.0221900000           1.0000000        
D   1
  1      2.4965600000           1.0000000        
D   1
  1      1.3141400000           1.0000000        
D   1
  1      0.71468200000          1.0000000        
D   1
  1      0.40760700000          1.0000000        
D   1
  1      0.22929200000          1.0000000        
D   1
  1      0.13074500000          1.0000000        
F   1
  1     46.539100000            1.0000000        
F   1
  1     25.662000000            1.0000000        
F   1
  1     15.522600000            1.0000000        
F   1
  1     10.504200000            1.0000000        
F   1
  1      6.8761600000           1.0000000        
F   1
  1      4.7634800000           1.0000000        
F   1
  1      2.6583800000           1.0000000        
F   1
  1      1.5533900000           1.0000000        
F   1
  1      0.77802100000          1.0000000        
F   1
  1      0.42723300000          1.0000000        
F   1
  1      0.22349900000          1.0000000        
G   1
  1     64.938100000            1.0000000        
G   1
  1     29.081500000            1.0000000        
G   1
  1     17.094900000            1.0000000        
G   1
  1     10.877200000            1.0000000        
G   1
  1      7.0590900000           1.0000000        
G   1
  1      5.0208800000           1.0000000        
G   1
  1      2.6459900000           1.0000000        
G   1
  1      1.4915600000           1.0000000        
G   1
  1      0.69908600000          1.0000000        
G   1
  1      0.33133500000          1.0000000        
H   1
  1     31.811000000            1.0000000        
H   1
  1     17.105100000            1.0000000        
H   1
  1     11.785600000            1.0000000        
H   1
  1      7.2145400000           1.0000000        
H   1
  1      4.9222900000           1.0000000        
H   1
  1      2.6590400000           1.0000000        
H   1
  1      1.1347300000           1.0000000        
I   1
  1     23.963500000            1.0000000        
I   1
  1     14.553600000            1.0000000        
I   1
  1      9.1801900000           1.0000000        
I   1
  1      6.5743700000           1.0000000        
I   1
  1      3.9181500000           1.0000000        
I   1
  1      2.0718400000           1.0000000        
K   1
  1     21.840600000            1.0000000        
K   1
  1     13.984300000            1.0000000        
K   1
  1      8.1081200000           1.0000000        
K   1
  1      3.7330900000           1.0000000        
L   1
  1     18.121900000            1.0000000        
L   1
  1     10.402900000            1.0000000        
L   1
  1      7.1843300000           1.0000000


name: cc-pwCV5Z-RI
elt: Ag
data:
SILVER
S   1
  1     20.698400000            1.0000000        
S   1
  1     12.723500000            1.0000000        
S   1
  1      8.4813000000           1.0000000        
S   1
  1      6.4355900000           1.0000000        
S   1
  1      4.6800800000           1.0000000        
S   1
  1      3.0131100000           1.0000000        
S   1
  1      1.5636100000           1.0000000        
S   1
  1      0.97615200000          1.0000000        
S   1
  1      0.56675900000          1.0000000        
S   1
  1      0.29640500000          1.0000000        
S   1
  1      0.16208200000          1.0000000        
S   1
  1      0.68560300000E-01            1.0000000        
S   1
  1      0.29514600000E-01            1.0000000        
P   1
  1     17.278600000            1.0000000        
P   1
  1     11.357100000            1.0000000        
P   1
  1      7.5327200000           1.0000000        
P   1
  1      5.6274000000           1.0000000        
P   1
  1      3.4408900000           1.0000000        
P   1
  1      2.1854600000           1.0000000        
P   1
  1      1.2256700000           1.0000000        
P   1
  1      0.68065800000          1.0000000        
P   1
  1      0.36959500000          1.0000000        
P   1
  1      0.20115800000          1.0000000        
P   1
  1      0.11746600000          1.0000000        
P   1
  1      0.60216400000E-01            1.0000000        
P   1
  1      0.29799700000E-01            1.0000000        
D   1
  1     13.614500000            1.0000000        
D   1
  1     10.114400000            1.0000000        
D   1
  1      7.8930000000           1.0000000        
D   1
  1      6.0068000000           1.0000000        
D   1
  1      3.7508300000           1.0000000        
D   1
  1      2.0113400000           1.0000000        
D   1
  1      1.4233900000           1.0000000        
D   1
  1      0.75471800000          1.0000000        
D   1
  1      0.39958400000          1.0000000        
D   1
  1      0.23685100000          1.0000000        
D   1
  1      0.12451900000          1.0000000        
D   1
  1      0.63631700000E-01            1.0000000        
F   1
  1     14.124100000            1.0000000        
F   1
  1      9.1757300000           1.0000000        
F   1
  1      6.8830300000           1.0000000        
F   1
  1      4.8508700000           1.0000000        
F   1
  1      3.4547800000           1.0000000        
F   1
  1      2.1055200000           1.0000000        
F   1
  1      1.2783800000           1.0000000        
F   1
  1      0.68690200000          1.0000000        
F   1
  1      0.38820600000          1.0000000        
F   1
  1      0.17815800000          1.0000000        
F   1
  1      0.93364500000E-01            1.0000000        
G   1
  1     15.569000000            1.0000000        
G   1
  1     10.413400000            1.0000000        
G   1
  1      6.4551000000           1.0000000        
G   1
  1      4.0662700000           1.0000000        
G   1
  1      2.7668400000           1.0000000        
G   1
  1      1.9480100000           1.0000000        
G   1
  1      1.0215500000           1.0000000        
G   1
  1      0.68875800000          1.0000000        
G   1
  1      0.32535200000          1.0000000        
G   1
  1      0.15036700000          1.0000000        
H   1
  1     11.111500000            1.0000000        
H   1
  1      6.7161400000           1.0000000        
H   1
  1      4.8314900000           1.0000000        
H   1
  1      3.1757000000           1.0000000        
H   1
  1      1.9672400000           1.0000000        
H   1
  1      1.2195200000           1.0000000        
H   1
  1      0.66947100000          1.0000000        
I   1
  1      8.4056200000           1.0000000        
I   1
  1      5.8481600000           1.0000000        
I   1
  1      3.7708500000           1.0000000        
I   1
  1      2.3341000000           1.0000000        
I   1
  1      1.4260000000           1.0000000        
I   1
  1      0.83366900000          1.0000000        
K   1
  1      6.7072900000           1.0000000        
K   1
  1      5.2275000000           1.0000000        
K   1
  1      3.2949300000           1.0000000        
K   1
  1      1.7710700000           1.0000000        
L   1
  1      7.0260900000           1.0000000        
L   1
  1      5.3070100000           1.0000000        
L   1
  1      3.0158300000           1.0000000


name: cc-pwCV5Z-RI
elt: Cd
data:
CADMIUM
S   1
  1     25.737800000            1.0000000        
S   1
  1     15.516000000            1.0000000        
S   1
  1      9.6537900000           1.0000000        
S   1
  1      7.0072200000           1.0000000        
S   1
  1      5.0728100000           1.0000000        
S   1
  1      3.2332200000           1.0000000        
S   1
  1      1.7592400000           1.0000000        
S   1
  1      1.0982800000           1.0000000        
S   1
  1      0.63766700000          1.0000000        
S   1
  1      0.33348900000          1.0000000        
S   1
  1      0.15181700000          1.0000000        
S   1
  1      0.68803100000E-01            1.0000000        
S   1
  1      0.31500700000E-01            1.0000000        
P   1
  1     21.641000000            1.0000000        
P   1
  1     12.544900000            1.0000000        
P   1
  1      7.7114700000           1.0000000        
P   1
  1      5.7104400000           1.0000000        
P   1
  1      3.7433300000           1.0000000        
P   1
  1      2.4822500000           1.0000000        
P   1
  1      1.3901200000           1.0000000        
P   1
  1      0.80530000000          1.0000000        
P   1
  1      0.45111500000          1.0000000        
P   1
  1      0.24276300000          1.0000000        
P   1
  1      0.13965900000          1.0000000        
P   1
  1      0.71572700000E-01            1.0000000        
P   1
  1      0.35317700000E-01            1.0000000        
D   1
  1     17.788700000            1.0000000        
D   1
  1     12.330500000            1.0000000        
D   1
  1      8.9952100000           1.0000000        
D   1
  1      6.5232100000           1.0000000        
D   1
  1      4.1013900000           1.0000000        
D   1
  1      2.2629800000           1.0000000        
D   1
  1      1.6014700000           1.0000000        
D   1
  1      0.84914300000          1.0000000        
D   1
  1      0.44957700000          1.0000000        
D   1
  1      0.26648300000          1.0000000        
D   1
  1      0.14009800000          1.0000000        
D   1
  1      0.69146600000E-01            1.0000000        
F   1
  1     18.263200000            1.0000000        
F   1
  1     11.794500000            1.0000000        
F   1
  1      8.5663000000           1.0000000        
F   1
  1      5.8951800000           1.0000000        
F   1
  1      4.0587600000           1.0000000        
F   1
  1      2.4465200000           1.0000000        
F   1
  1      1.4555600000           1.0000000        
F   1
  1      0.81325400000          1.0000000        
F   1
  1      0.50580200000          1.0000000        
F   1
  1      0.21399000000          1.0000000        
F   1
  1      0.11187800000          1.0000000        
G   1
  1     17.399500000            1.0000000        
G   1
  1     11.741700000            1.0000000        
G   1
  1      7.6060100000           1.0000000        
G   1
  1      4.9656700000           1.0000000        
G   1
  1      3.3199500000           1.0000000        
G   1
  1      2.2817500000           1.0000000        
G   1
  1      1.2592000000           1.0000000        
G   1
  1      0.84401200000          1.0000000        
G   1
  1      0.39591500000          1.0000000        
G   1
  1      0.17455300000          1.0000000        
H   1
  1     13.316900000            1.0000000        
H   1
  1      7.8557000000           1.0000000        
H   1
  1      5.8317300000           1.0000000        
H   1
  1      3.6150100000           1.0000000        
H   1
  1      2.3423700000           1.0000000        
H   1
  1      1.4314800000           1.0000000        
H   1
  1      0.79461700000          1.0000000        
I   1
  1      9.2769200000           1.0000000        
I   1
  1      6.5285500000           1.0000000        
I   1
  1      4.1535100000           1.0000000        
I   1
  1      2.6661300000           1.0000000        
I   1
  1      1.6780700000           1.0000000        
I   1
  1      1.0201600000           1.0000000        
K   1
  1      7.8470400000           1.0000000        
K   1
  1      6.3498400000           1.0000000        
K   1
  1      3.7077700000           1.0000000        
K   1
  1      1.8764000000           1.0000000        
L   1
  1      8.3453800000           1.0000000        
L   1
  1      5.7514400000           1.0000000        
L   1
  1      3.4944500000           1.0000000


name: cc-pwCV5Z-RI
elt: Au
data:
GOLD
S   1
  1     14.857300000            1.0000000        
S   1
  1      9.6799500000           1.0000000        
S   1
  1      6.7121500000           1.0000000        
S   1
  1      4.9525900000           1.0000000        
S   1
  1      3.5707500000           1.0000000        
S   1
  1      2.2328100000           1.0000000        
S   1
  1      1.3890300000           1.0000000        
S   1
  1      0.83365400000          1.0000000        
S   1
  1      0.49221800000          1.0000000        
S   1
  1      0.23154600000          1.0000000        
S   1
  1      0.91251700000E-01            1.0000000        
S   1
  1      0.45247000000E-01            1.0000000        
S   1
  1      0.23972400000E-01            1.0000000        
P   1
  1     10.514500000            1.0000000        
P   1
  1      8.2271300000           1.0000000        
P   1
  1      6.1625100000           1.0000000        
P   1
  1      4.6031600000           1.0000000        
P   1
  1      2.9997500000           1.0000000        
P   1
  1      1.9716800000           1.0000000        
P   1
  1      1.1254800000           1.0000000        
P   1
  1      0.67768600000          1.0000000        
P   1
  1      0.40270000000          1.0000000        
P   1
  1      0.21917600000          1.0000000        
P   1
  1      0.12281100000          1.0000000        
P   1
  1      0.61323200000E-01            1.0000000        
P   1
  1      0.29966600000E-01            1.0000000        
D   1
  1     16.516800000            1.0000000        
D   1
  1      9.8116400000           1.0000000        
D   1
  1      7.1410200000           1.0000000        
D   1
  1      5.2957700000           1.0000000        
D   1
  1      3.9923700000           1.0000000        
D   1
  1      2.4757300000           1.0000000        
D   1
  1      1.6738000000           1.0000000        
D   1
  1      1.1389200000           1.0000000        
D   1
  1      0.60606300000          1.0000000        
D   1
  1      0.36132400000          1.0000000        
D   1
  1      0.19743000000          1.0000000        
D   1
  1      0.10527200000          1.0000000        
D   1
  1      0.57104400000E-01            1.0000000        
F   1
  1     12.074000000            1.0000000        
F   1
  1      8.4041700000           1.0000000        
F   1
  1      6.2272000000           1.0000000        
F   1
  1      4.5537300000           1.0000000        
F   1
  1      2.9351700000           1.0000000        
F   1
  1      1.8873300000           1.0000000        
F   1
  1      1.2365000000           1.0000000        
F   1
  1      0.70440200000          1.0000000        
F   1
  1      0.41950400000          1.0000000        
F   1
  1      0.20321800000          1.0000000        
F   1
  1      0.10318600000          1.0000000        
G   1
  1     12.951200000            1.0000000        
G   1
  1      8.3734000000           1.0000000        
G   1
  1      5.4177700000           1.0000000        
G   1
  1      3.6750500000           1.0000000        
G   1
  1      2.6347900000           1.0000000        
G   1
  1      2.0080900000           1.0000000        
G   1
  1      1.2436200000           1.0000000        
G   1
  1      0.68412600000          1.0000000        
G   1
  1      0.36851300000          1.0000000        
G   1
  1      0.15304400000          1.0000000        
H   1
  1      8.4968500000           1.0000000        
H   1
  1      5.1467100000           1.0000000        
H   1
  1      3.6278900000           1.0000000        
H   1
  1      2.3615800000           1.0000000        
H   1
  1      1.8580500000           1.0000000        
H   1
  1      0.97767500000          1.0000000        
H   1
  1      0.49278100000          1.0000000        
I   1
  1      6.8342400000           1.0000000        
I   1
  1      5.2141900000           1.0000000        
I   1
  1      3.5918900000           1.0000000        
I   1
  1      2.2961000000           1.0000000        
I   1
  1      1.7793200000           1.0000000        
I   1
  1      0.85126900000          1.0000000        
K   1
  1      5.7709700000           1.0000000        
K   1
  1      3.9656000000           1.0000000        
K   1
  1      2.8292800000           1.0000000        
K   1
  1      1.2905100000           1.0000000        
L   1
  1      4.3129800000           1.0000000        
L   1
  1      2.3989800000           1.0000000


name: cc-pwCV5Z-RI
elt: Hg
data:
MERCURY
S   1
  1     16.486800000            1.0000000        
S   1
  1     10.705100000            1.0000000        
S   1
  1      6.9082500000           1.0000000        
S   1
  1      5.4460500000           1.0000000        
S   1
  1      3.8322100000           1.0000000        
S   1
  1      2.1836900000           1.0000000        
S   1
  1      1.4280000000           1.0000000        
S   1
  1      0.87703200000          1.0000000        
S   1
  1      0.55527400000          1.0000000        
S   1
  1      0.33639800000          1.0000000        
S   1
  1      0.14323800000          1.0000000        
S   1
  1      0.62484800000E-01            1.0000000        
S   1
  1      0.30312200000E-01            1.0000000        
P   1
  1     11.443500000            1.0000000        
P   1
  1      8.9229600000           1.0000000        
P   1
  1      6.6538000000           1.0000000        
P   1
  1      4.9530500000           1.0000000        
P   1
  1      3.2934800000           1.0000000        
P   1
  1      2.3646400000           1.0000000        
P   1
  1      1.3597600000           1.0000000        
P   1
  1      0.78628500000          1.0000000        
P   1
  1      0.44665100000          1.0000000        
P   1
  1      0.24594700000          1.0000000        
P   1
  1      0.14198300000          1.0000000        
P   1
  1      0.72371100000E-01            1.0000000        
P   1
  1      0.35402800000E-01            1.0000000        
D   1
  1     19.296800000            1.0000000        
D   1
  1     11.415000000            1.0000000        
D   1
  1      8.3033100000           1.0000000        
D   1
  1      6.1452100000           1.0000000        
D   1
  1      4.6047400000           1.0000000        
D   1
  1      2.8239300000           1.0000000        
D   1
  1      1.9969400000           1.0000000        
D   1
  1      1.3756000000           1.0000000        
D   1
  1      0.73674600000          1.0000000        
D   1
  1      0.44611300000          1.0000000        
D   1
  1      0.23937500000          1.0000000        
D   1
  1      0.14137300000          1.0000000        
D   1
  1      0.69928500000E-01            1.0000000        
F   1
  1     13.239100000            1.0000000        
F   1
  1      9.4319700000           1.0000000        
F   1
  1      7.1935200000           1.0000000        
F   1
  1      5.3393800000           1.0000000        
F   1
  1      3.2168500000           1.0000000        
F   1
  1      2.1188900000           1.0000000        
F   1
  1      1.3656300000           1.0000000        
F   1
  1      0.77932200000          1.0000000        
F   1
  1      0.46857700000          1.0000000        
F   1
  1      0.23941700000          1.0000000        
F   1
  1      0.11999500000          1.0000000        
G   1
  1     14.449500000            1.0000000        
G   1
  1      9.3515200000           1.0000000        
G   1
  1      6.0704000000           1.0000000        
G   1
  1      4.1120300000           1.0000000        
G   1
  1      2.9194700000           1.0000000        
G   1
  1      2.1282700000           1.0000000        
G   1
  1      1.2743200000           1.0000000        
G   1
  1      0.71106200000          1.0000000        
G   1
  1      0.43232100000          1.0000000        
G   1
  1      0.18139700000          1.0000000        
H   1
  1      9.1790100000           1.0000000        
H   1
  1      5.4354600000           1.0000000        
H   1
  1      3.9778400000           1.0000000        
H   1
  1      2.7659600000           1.0000000        
H   1
  1      2.0966200000           1.0000000        
H   1
  1      1.1109200000           1.0000000        
H   1
  1      0.57876400000          1.0000000        
I   1
  1      8.1206800000           1.0000000        
I   1
  1      6.1860400000           1.0000000        
I   1
  1      4.2601300000           1.0000000        
I   1
  1      2.6270200000           1.0000000        
I   1
  1      2.0087700000           1.0000000        
I   1
  1      0.97710600000          1.0000000        
K   1
  1      6.5300100000           1.0000000        
K   1
  1      4.3208000000           1.0000000        
K   1
  1      3.0669800000           1.0000000        
K   1
  1      1.4309200000           1.0000000        
L   1
  1      4.5820800000           1.0000000        
L   1
  1      2.6260800000           1.0000000


name: cc-pwCV5Z-RI tight
description: N/A
elt: B
data:
BORON
S   1
  1    598.3310000              1.0000000        
S   1
  1     81.3940000              1.0000000        
S   1
  1     20.0091000              1.0000000        
S   1
  1      6.1026900              1.0000000        
P   1
  1     95.5846000              1.0000000        
P   1
  1     19.2037000              1.0000000        
P   1
  1      6.1103200              1.0000000        
P   1
  1      2.4172000              1.0000000        
D   1
  1     65.0590000              1.0000000        
D   1
  1     30.6891000              1.0000000        
D   1
  1     18.3513000              1.0000000        
D   1
  1      7.3465100              1.0000000        
F   1
  1     39.0702000              1.0000000        
F   1
  1     23.4218000              1.0000000        
F   1
  1      9.3244500              1.0000000        
G   1
  1     10.4150000              1.0000000        
G   1
  1      4.7042700              1.0000000        
H   1
  1      4.8266700              1.0000000


name: cc-pwCV5Z-RI tight
description: N/A
elt: C
data:
CARBON
S   1
  1   1042.4100000              1.0000000        
S   1
  1    100.9360000              1.0000000        
S   1
  1     25.5989000              1.0000000        
S   1
  1      8.4829300              1.0000000        
P   1
  1    138.1040000              1.0000000        
P   1
  1     26.0072000              1.0000000        
P   1
  1      8.8030700              1.0000000        
P   1
  1      3.5099600              1.0000000        
D   1
  1     88.1557000              1.0000000        
D   1
  1     36.1400000              1.0000000        
D   1
  1     24.1902000              1.0000000        
D   1
  1      8.5320800              1.0000000        
F   1
  1     46.2529000              1.0000000        
F   1
  1     26.4528000              1.0000000        
F   1
  1     12.0000000              1.0000000        
G   1
  1     18.0042000              1.0000000        
G   1
  1      8.7343900              1.0000000        
H   1
  1      8.5555300              1.0000000


name: cc-pwCV5Z-RI tight
description: N/A
elt: N
data:
NITROGEN
S   1
  1   1521.1700000              1.0000000        
S   1
  1    139.2730000              1.0000000        
S   1
  1     36.1708000              1.0000000        
S   1
  1     11.6978000              1.0000000        
P   1
  1    189.3310000              1.0000000        
P   1
  1     39.5540000              1.0000000        
P   1
  1     11.8663000              1.0000000        
P   1
  1      4.9393700              1.0000000        
D   1
  1    118.1910000              1.0000000        
D   1
  1     58.6181000              1.0000000        
D   1
  1     33.0482000              1.0000000        
D   1
  1     10.9189000              1.0000000        
F   1
  1     61.9341000              1.0000000        
F   1
  1     34.2568000              1.0000000        
F   1
  1     17.1153000              1.0000000        
G   1
  1     26.5071000              1.0000000        
G   1
  1     12.6099000              1.0000000        
H   1
  1     13.0250000              1.0000000


name: cc-pwCV5Z-RI tight
description: N/A
elt: O
data:
OXYGEN
S   1
  1   2010.9300000              1.0000000        
S   1
  1    144.0190000              1.0000000        
S   1
  1     55.8049000              1.0000000        
S   1
  1     21.5261000              1.0000000        
P   1
  1    241.5120000              1.0000000        
P   1
  1     49.0595000              1.0000000        
P   1
  1     16.6893000              1.0000000        
P   1
  1      6.9049200              1.0000000        
D   1
  1    148.0410000              1.0000000        
D   1
  1     65.9765000              1.0000000        
D   1
  1     41.3522000              1.0000000        
D   1
  1     13.0533000              1.0000000        
F   1
  1     87.3561000              1.0000000        
F   1
  1     49.0784000              1.0000000        
F   1
  1     20.4321000              1.0000000        
G   1
  1     35.6559000              1.0000000        
G   1
  1     16.7342000              1.0000000        
H   1
  1     18.1565000              1.0000000


name: cc-pwCV5Z-RI tight
description: N/A
elt: F
data:
FLUORINE
S   1
  1   2156.2200000              1.0000000        
S   1
  1    245.9920000              1.0000000        
S   1
  1     76.6519000              1.0000000        
S   1
  1     13.7220000              1.0000000        
P   1
  1    295.7640000              1.0000000        
P   1
  1     61.4873000              1.0000000        
P   1
  1     20.1219000              1.0000000        
P   1
  1      9.0952700              1.0000000        
D   1
  1    184.6010000              1.0000000        
D   1
  1     86.8659000              1.0000000        
D   1
  1     49.8358000              1.0000000        
D   1
  1     16.1398000              1.0000000        
F   1
  1    100.2190000              1.0000000        
F   1
  1     55.2650000              1.0000000        
F   1
  1     28.7491000              1.0000000        
G   1
  1     47.3169000              1.0000000        
G   1
  1     21.7889000              1.0000000        
H   1
  1     23.7802000              1.0000000


name: cc-pwCV5Z-RI tight
description: N/A
elt: Ne
data:
NEON
S   1
  1   3511.0300000              1.0000000        
S   1
  1    300.4210000              1.0000000        
S   1
  1    103.5470000              1.0000000        
S   1
  1     15.9000000              1.0000000        
P   1
  1    361.8290000              1.0000000        
P   1
  1     77.9664000              1.0000000        
P   1
  1     30.5984000              1.0000000        
P   1
  1     12.2000000              1.0000000        
D   1
  1    231.6190000              1.0000000        
D   1
  1    100.5090000              1.0000000        
D   1
  1     76.3038000              1.0000000        
D   1
  1     21.1983000              1.0000000        
F   1
  1    137.7150000              1.0000000        
F   1
  1     80.5744000              1.0000000        
F   1
  1     33.6901000              1.0000000        
G   1
  1     61.2498000              1.0000000        
G   1
  1     27.8129000              1.0000000        
H   1
  1     30.4907000              1.0000000


name: cc-pwCV5Z-RI tight
description: N/A
elt: Al
data:
ALUMINUM
S   1
  1   1500.0000000              1.0000000        
S   1
  1    265.4610000              1.0000000        
S   1
  1     29.1355000              1.0000000        
S   1
  1      5.0777000              1.0000000        
P   1
  1    577.7500000              1.0000000        
P   1
  1     82.6945000              1.0000000        
P   1
  1     32.9552000              1.0000000        
P   1
  1     12.9556000              1.0000000        
D   1
  1    145.9980000              1.0000000        
D   1
  1     27.0000000              1.0000000        
D   1
  1      8.5000000              1.0000000        
D   1
  1      1.3056700              1.0000000        
F   1
  1     36.7276000              1.0000000        
F   1
  1     16.2551000              1.0000000        
F   1
  1      2.5453900              1.0000000        
G   1
  1     20.5971000              1.0000000        
G   1
  1     11.3283000              1.0000000        
G   1
  1      5.8315200              1.0000000        
H   1
  1     13.3915000              1.0000000        
H   1
  1      3.6816400              1.0000000        
I   1
  1      3.8693300              1.0000000        
I   1
  1      1.9479400              1.0000000


name: cc-pwCV5Z-RI tight
description: N/A
elt: Si
data:
SILICON
S   1
  1   1800.0000000              1.0000000        
S   1
  1    340.7200000              1.0000000        
S   1
  1     37.1676000              1.0000000        
S   1
  1      6.1866500              1.0000000        
P   1
  1    629.7250000              1.0000000        
P   1
  1    106.6730000              1.0000000        
P   1
  1     37.2090000              1.0000000        
P   1
  1      6.9812500              1.0000000        
D   1
  1    183.0570000              1.0000000        
D   1
  1     33.2586000              1.0000000        
D   1
  1     10.4892000              1.0000000        
D   1
  1      1.9715100              1.0000000        
F   1
  1     47.6295000              1.0000000        
F   1
  1     20.0000000              1.0000000        
F   1
  1      3.9846600              1.0000000        
G   1
  1     26.9326000              1.0000000        
G   1
  1     14.8870000              1.0000000        
G   1
  1      7.7198400              1.0000000        
H   1
  1     16.9693000              1.0000000        
H   1
  1      4.6476700              1.0000000        
I   1
  1      5.2027100              1.0000000        
I   1
  1      2.5675800              1.0000000


name: cc-pwCV5Z-RI tight
description: N/A
elt: P
data:
PHOSPHORUS
S   1
  1   2400.0000000              1.0000000        
S   1
  1    457.8920000              1.0000000        
S   1
  1     46.1530000              1.0000000        
S   1
  1      7.2066600              1.0000000        
P   1
  1    807.4960000              1.0000000        
P   1
  1    136.2950000              1.0000000        
P   1
  1     44.5141000              1.0000000        
P   1
  1      8.3534400              1.0000000        
D   1
  1    214.9970000              1.0000000        
D   1
  1     42.1591000              1.0000000        
D   1
  1     13.9749000              1.0000000        
D   1
  1      2.5325900              1.0000000        
F   1
  1     58.2818000              1.0000000        
F   1
  1     22.5507000              1.0000000        
F   1
  1      5.1842700              1.0000000        
G   1
  1     29.0809000              1.0000000        
G   1
  1     15.8958000              1.0000000        
G   1
  1      8.4664900              1.0000000        
H   1
  1     20.8629000              1.0000000        
H   1
  1      5.6977800              1.0000000        
I   1
  1      5.9684000              1.0000000        
I   1
  1      2.9499000              1.0000000


name: cc-pwCV5Z-RI tight
description: N/A
elt: S
data:
SULFUR
S   1
  1   2900.0000000              1.0000000        
S   1
  1    509.6720000              1.0000000        
S   1
  1     52.5124000              1.0000000        
S   1
  1      8.8096700              1.0000000        
P   1
  1   1035.4000000              1.0000000        
P   1
  1    166.6950000              1.0000000        
P   1
  1     54.5510000              1.0000000        
P   1
  1     10.3221000              1.0000000        
D   1
  1    251.4680000              1.0000000        
D   1
  1     54.7239000              1.0000000        
D   1
  1     18.0473000              1.0000000        
D   1
  1      3.1080400              1.0000000        
F   1
  1     68.8551000              1.0000000        
F   1
  1     30.0000000              1.0000000        
F   1
  1      6.0304500              1.0000000        
G   1
  1     33.8667000              1.0000000        
G   1
  1     18.2992000              1.0000000        
G   1
  1      9.4190800              1.0000000        
H   1
  1     25.1489000              1.0000000        
H   1
  1      6.8372900              1.0000000        
I   1
  1      7.0926200              1.0000000        
I   1
  1      3.5736400              1.0000000


name: cc-pwCV5Z-RI tight
description: N/A
elt: Cl
data:
CHLORINE
S   1
  1   3451.3000000              1.0000000        
S   1
  1    626.9800000              1.0000000        
S   1
  1     64.8043000              1.0000000        
S   1
  1      5.2729600              1.0000000        
P   1
  1   1150.0200000              1.0000000        
P   1
  1    218.4100000              1.0000000        
P   1
  1     66.1193000              1.0000000        
P   1
  1     12.8179000              1.0000000        
D   1
  1    275.2510000              1.0000000        
D   1
  1     68.0010000              1.0000000        
D   1
  1     22.7269000              1.0000000        
D   1
  1      3.9484500              1.0000000        
F   1
  1     80.5766000              1.0000000        
F   1
  1     35.8778000              1.0000000        
F   1
  1      7.0532200              1.0000000        
G   1
  1     40.2732000              1.0000000        
G   1
  1     21.3047000              1.0000000        
G   1
  1     10.6480000              1.0000000        
H   1
  1     29.9064000              1.0000000        
H   1
  1      8.2030500              1.0000000        
I   1
  1      8.5988500              1.0000000        
I   1
  1      4.2892600              1.0000000


name: cc-pwCV5Z-RI tight
description: N/A
elt: Ar
data:
ARGON
S   1
  1   4500.0000000              1.0000000        
S   1
  1    774.1070000              1.0000000        
S   1
  1     75.9118000              1.0000000        
S   1
  1      6.2013900              1.0000000        
P   1
  1   1808.1400000              1.0000000        
P   1
  1    258.4200000              1.0000000        
P   1
  1     31.7157000              1.0000000        
P   1
  1      7.3135400              1.0000000        
D   1
  1    310.6240000              1.0000000        
D   1
  1     79.7927000              1.0000000        
D   1
  1     27.1476000              1.0000000        
D   1
  1      4.8175300              1.0000000        
F   1
  1     99.0705000              1.0000000        
F   1
  1     39.9570000              1.0000000        
F   1
  1     15.1240000              1.0000000        
G   1
  1     47.2034000              1.0000000        
G   1
  1     24.4949000              1.0000000        
G   1
  1     11.3507000              1.0000000        
H   1
  1     35.0842000              1.0000000        
H   1
  1      9.7209200              1.0000000        
I   1
  1     10.2111000              1.0000000        
I   1
  1      5.0900000              1.0000000        
$


name: cc-pwCVDZ
description: DZP Double Zeta + Polarization + Tight Core
elt: B
data:
BORON
S   8
  1   4570.0000000              0.0006960        
  2    685.9000000              0.0053530        
  3    156.5000000              0.0271340        
  4     44.4700000              0.1013800        
  5     14.4800000              0.2720550        
  6      5.1310000              0.4484030        
  7      1.8980000              0.2901230        
  8      0.3329000              0.0143220        
S   8
  1   4570.0000000             -0.0001390        
  2    685.9000000             -0.0010970        
  3    156.5000000             -0.0054440        
  4     44.4700000             -0.0219160        
  5     14.4800000             -0.0597510        
  6      5.1310000             -0.1387320        
  7      1.8980000             -0.1314820        
  8      0.3329000              0.5395260        
S   1
  1      0.1043000              1.0000000        
S   1
  1      2.4630000              1.0000000        
P   3
  1      6.0010000              0.0354810        
  2      1.2410000              0.1980720        
  3      0.3364000              0.5052300        
P   1
  1      0.0953800              1.0000000        
P   1
  1      4.5660000              1.0000000        
D   1
  1      0.3430000              1.0000000


name: cc-pwCVDZ
description: DZP Double Zeta + Polarization + Tight Core
elt: C
data:
CARBON
S   8
  1   6665.0000000              0.0006920        
  2   1000.0000000              0.0053290        
  3    228.0000000              0.0270770        
  4     64.7100000              0.1017180        
  5     21.0600000              0.2747400        
  6      7.4950000              0.4485640        
  7      2.7970000              0.2850740        
  8      0.5215000              0.0152040        
S   8
  1   6665.0000000             -0.0001460        
  2   1000.0000000             -0.0011540        
  3    228.0000000             -0.0057250        
  4     64.7100000             -0.0233120        
  5     21.0600000             -0.0639550        
  6      7.4950000             -0.1499810        
  7      2.7970000             -0.1272620        
  8      0.5215000              0.5445290        
S   1
  1      0.1596000              1.0000000        
S   1
  1      3.3390000              1.0000000        
P   3
  1      9.4390000              0.0381090        
  2      2.0020000              0.2094800        
  3      0.5456000              0.5085570        
P   1
  1      0.1517000              1.0000000        
P   1
  1      7.2350000              1.0000000        
D   1
  1      0.5500000              1.0000000


name: cc-pwCVDZ
description: DZP Double Zeta + Polarization + Tight Core
elt: N
data:
NITROGEN
S   8
  1   9046.0000000              0.0007000        
  2   1357.0000000              0.0053890        
  3    309.3000000              0.0274060        
  4     87.7300000              0.1032070        
  5     28.5600000              0.2787230        
  6     10.2100000              0.4485400        
  7      3.8380000              0.2782380        
  8      0.7466000              0.0154400        
S   8
  1   9046.0000000             -0.0001530        
  2   1357.0000000             -0.0012080        
  3    309.3000000             -0.0059920        
  4     87.7300000             -0.0245440        
  5     28.5600000             -0.0674590        
  6     10.2100000             -0.1580780        
  7      3.8380000             -0.1218310        
  8      0.7466000              0.5490030        
S   1
  1      0.2248000              1.0000000        
S   1
  1      4.3200000              1.0000000        
P   3
  1     13.5500000              0.0399190        
  2      2.9170000              0.2171690        
  3      0.7973000              0.5103190        
P   1
  1      0.2185000              1.0000000        
P   1
  1     10.2390000              1.0000000        
D   1
  1      0.8170000              1.0000000


name: cc-pwCVDZ
description: DZP Double Zeta + Polarization + Tight Core
elt: O
data:
OXYGEN
S   8
  1  11720.0000000              0.0007100        
  2   1759.0000000              0.0054700        
  3    400.8000000              0.0278370        
  4    113.7000000              0.1048000        
  5     37.0300000              0.2830620        
  6     13.2700000              0.4487190        
  7      5.0250000              0.2709520        
  8      1.0130000              0.0154580        
S   8
  1  11720.0000000             -0.0001600        
  2   1759.0000000             -0.0012630        
  3    400.8000000             -0.0062670        
  4    113.7000000             -0.0257160        
  5     37.0300000             -0.0709240        
  6     13.2700000             -0.1654110        
  7      5.0250000             -0.1169550        
  8      1.0130000              0.5573680        
S   1
  1      0.3023000              1.0000000        
S   1
  1      5.4590000              1.0000000        
P   3
  1     17.7000000              0.0430180        
  2      3.8540000              0.2289130        
  3      1.0460000              0.5087280        
P   1
  1      0.2753000              1.0000000        
P   1
  1     13.3200000              1.0000000        
D   1
  1      1.1850000              1.0000000


name: cc-pwCVDZ
description: DZP Double Zeta + Polarization + Tight Core
elt: F
data:
FLUORINE
S   8
  1  14710.0000000              0.0007210        
  2   2207.0000000              0.0055530        
  3    502.8000000              0.0282670        
  4    142.6000000              0.1064440        
  5     46.4700000              0.2868140        
  6     16.7000000              0.4486410        
  7      6.3560000              0.2647610        
  8      1.3160000              0.0153330        
S   8
  1  14710.0000000             -0.0001650        
  2   2207.0000000             -0.0013080        
  3    502.8000000             -0.0064950        
  4    142.6000000             -0.0266910        
  5     46.4700000             -0.0736900        
  6     16.7000000             -0.1707760        
  7      6.3560000             -0.1123270        
  8      1.3160000              0.5628140        
S   1
  1      0.3897000              1.0000000        
S   1
  1      6.7240000              1.0000000        
P   3
  1     22.6700000              0.0448780        
  2      4.9770000              0.2357180        
  3      1.3470000              0.5085210        
P   1
  1      0.3471000              1.0000000        
P   1
  1     16.8030000              1.0000000        
D   1
  1      1.6400000              1.0000000


name: cc-pwCVDZ
description: DZP Double Zeta + Polarization + Tight Core
elt: Ne
data:
NEON
S   8
  1  17880.0000000              0.0007380        
  2   2683.0000000              0.0056770        
  3    611.5000000              0.0288830        
  4    173.5000000              0.1085400        
  5     56.6400000              0.2909070        
  6     20.4200000              0.4483240        
  7      7.8100000              0.2580260        
  8      1.6530000              0.0150630        
S   8
  1  17880.0000000             -0.0001720        
  2   2683.0000000             -0.0013570        
  3    611.5000000             -0.0067370        
  4    173.5000000             -0.0276630        
  5     56.6400000             -0.0762080        
  6     20.4200000             -0.1752270        
  7      7.8100000             -0.1070380        
  8      1.6530000              0.5670500        
S   1
  1      0.4869000              1.0000000        
S   1
  1      8.1160000              1.0000000        
P   3
  1     28.3900000              0.0460870        
  2      6.2700000              0.2401810        
  3      1.6950000              0.5087440        
P   1
  1      0.4317000              1.0000000        
P   1
  1     20.6580000              1.0000000        
D   1
  1      2.2020000              1.0000000


name: cc-pwCVDZ
description: DZP Double Zeta + Polarization + Tight Core
elt: Al
data:
ALUMINUM
S   11
  1  64150.0000000              0.290250D-03     
  2   9617.0000000              0.225064D-02     
  3   2189.0000000              0.116459D-01     
  4    620.5000000              0.467377D-01     
  5    202.7000000              0.146299D+00     
  6     73.1500000              0.330283D+00     
  7     28.5500000              0.415861D+00     
  8     11.7700000              0.189253D+00     
  9      3.3000000              0.115889D-01     
 10      1.1730000             -0.128385D-02     
 11      0.1752000              0.425883D-03     
S   11
  1  64150.0000000             -0.758048D-04     
  2   9617.0000000             -0.581791D-03     
  3   2189.0000000             -0.308113D-02     
  4    620.5000000             -0.123112D-01     
  5    202.7000000             -0.419781D-01     
  6     73.1500000             -0.103371D+00     
  7     28.5500000             -0.196308D+00     
  8     11.7700000             -0.830002D-01     
  9      3.3000000              0.541040D+00     
 10      1.1730000              0.578796D+00     
 11      0.1752000              0.288147D-01     
S   11
  1  64150.0000000              0.175078D-04     
  2   9617.0000000              0.134208D-03     
  3   2189.0000000              0.712442D-03     
  4    620.5000000              0.284330D-02     
  5    202.7000000              0.976842D-02     
  6     73.1500000              0.241850D-01     
  7     28.5500000              0.474993D-01     
  8     11.7700000              0.203621D-01     
  9      3.3000000             -0.158788D+00     
 10      1.1730000             -0.311694D+00     
 11      0.1752000              0.620147D+00     
S   1
  1      0.0647300              1.0000000        
S   1
  1      3.5990000              1.0000000        
P   7
  1    258.8000000              0.406847D-02     
  2     60.8900000              0.306815D-01     
  3     19.1400000              0.129149D+00     
  4      6.8810000              0.320831D+00     
  5      2.5740000              0.453815D+00     
  6      0.9572000              0.275066D+00     
  7      0.2099000              0.190807D-01     
P   7
  1    258.8000000             -0.748053D-03     
  2     60.8900000             -0.545796D-02     
  3     19.1400000             -0.245371D-01     
  4      6.8810000             -0.582138D-01     
  5      2.5740000             -0.983756D-01     
  6      0.9572000             -0.260064D-01     
  7      0.2099000              0.464020D+00     
P   1
  1      0.0598600              1.0000000        
P   1
  1      0.9280000              1.0000000        
D   1
  1      0.1890000              1.0000000        
D   1
  1      1.7920000              1.0000000


name: cc-pwCVDZ
description: DZP Double Zeta + Polarization + Tight Core
elt: Si
data:
SILICON
S   11
  1  78860.0000000              0.270443D-03     
  2  11820.0000000              0.209717D-02     
  3   2692.0000000              0.108506D-01     
  4    763.4000000              0.436754D-01     
  5    249.6000000              0.137653D+00     
  6     90.2800000              0.316644D+00     
  7     35.2900000              0.418581D+00     
  8     14.5100000              0.210212D+00     
  9      4.0530000              0.144952D-01     
 10      1.4820000             -0.203590D-02     
 11      0.2517000              0.624186D-03     
S   11
  1  78860.0000000             -0.723177D-04     
  2  11820.0000000             -0.555116D-03     
  3   2692.0000000             -0.293805D-02     
  4    763.4000000             -0.117687D-01     
  5    249.6000000             -0.402907D-01     
  6     90.2800000             -0.100609D+00     
  7     35.2900000             -0.196528D+00     
  8     14.5100000             -0.102382D+00     
  9      4.0530000              0.527190D+00     
 10      1.4820000              0.593251D+00     
 11      0.2517000              0.332652D-01     
S   11
  1  78860.0000000              0.185113D-04     
  2  11820.0000000              0.142236D-03     
  3   2692.0000000              0.752185D-03     
  4    763.4000000              0.302279D-02     
  5    249.6000000              0.103677D-01     
  6     90.2800000              0.262563D-01     
  7     35.2900000              0.523989D-01     
  8     14.5100000              0.290959D-01     
  9      4.0530000             -0.178003D+00     
 10      1.4820000             -0.346874D+00     
 11      0.2517000              0.623020D+00     
S   1
  1      0.0924300              1.0000000        
S   1
  1      4.4990000              1.0000000        
P   7
  1    315.9000000              0.392656D-02     
  2     74.4200000              0.298811D-01     
  3     23.4800000              0.127212D+00     
  4      8.4880000              0.320943D+00     
  5      3.2170000              0.455429D+00     
  6      1.2290000              0.268563D+00     
  7      0.2964000              0.188336D-01     
P   7
  1    315.9000000             -0.858302D-03     
  2     74.4200000             -0.630328D-02     
  3     23.4800000             -0.288255D-01     
  4      8.4880000             -0.694560D-01     
  5      3.2170000             -0.119493D+00     
  6      1.2290000             -0.199581D-01     
  7      0.2964000              0.510268D+00     
P   1
  1      0.0876800              1.0000000        
P   1
  1      1.3880000              1.0000000        
D   1
  1      0.2750000              1.0000000        
D   1
  1      2.2770000              1.0000000


name: cc-pwCVDZ
description: DZP Double Zeta + Polarization + Tight Core
elt: P
data:
PHOSPHORUS
S   11
  1  94840.0000000              0.255509D-03     
  2  14220.0000000              0.198193D-02     
  3   3236.0000000              0.102760D-01     
  4    917.1000000              0.414823D-01     
  5    299.5000000              0.131984D+00     
  6    108.1000000              0.308662D+00     
  7     42.1800000              0.420647D+00     
  8     17.2800000              0.222878D+00     
  9      4.8580000              0.164035D-01     
 10      1.8180000             -0.254255D-02     
 11      0.3372000              0.748050D-03     
S   11
  1  94840.0000000             -0.696939D-04     
  2  14220.0000000             -0.535266D-03     
  3   3236.0000000             -0.283709D-02     
  4    917.1000000             -0.113983D-01     
  5    299.5000000             -0.392929D-01     
  6    108.1000000             -0.996364D-01     
  7     42.1800000             -0.197983D+00     
  8     17.2800000             -0.114860D+00     
  9      4.8580000              0.518595D+00     
 10      1.8180000              0.601847D+00     
 11      0.3372000              0.368612D-01     
S   11
  1  94840.0000000              0.191199D-04     
  2  14220.0000000              0.147223D-03     
  3   3236.0000000              0.777912D-03     
  4    917.1000000              0.314546D-02     
  5    299.5000000              0.108200D-01     
  6    108.1000000              0.279957D-01     
  7     42.1800000              0.563978D-01     
  8     17.2800000              0.358190D-01     
  9      4.8580000             -0.193387D+00     
 10      1.8180000             -0.372097D+00     
 11      0.3372000              0.624246D+00     
S   1
  1      0.1232000              1.0000000        
S   1
  1      5.4740000              1.0000000        
P   7
  1    370.5000000              0.395005D-02     
  2     87.3300000              0.302492D-01     
  3     27.5900000              0.129554D+00     
  4     10.0000000              0.327594D+00     
  5      3.8250000              0.456992D+00     
  6      1.4940000              0.253086D+00     
  7      0.3921000              0.168798D-01     
P   7
  1    370.5000000             -0.959832D-03     
  2     87.3300000             -0.711177D-02     
  3     27.5900000             -0.327122D-01     
  4     10.0000000             -0.795784D-01     
  5      3.8250000             -0.135016D+00     
  6      1.4940000             -0.910585D-02     
  7      0.3921000              0.537802D+00     
P   1
  1      0.1186000              1.0000000        
P   1
  1      1.9390000              1.0000000        
D   1
  1      0.3730000              1.0000000        
D   1
  1      2.7600000              1.0000000


name: cc-pwCVDZ
description: DZP Double Zeta + Polarization + Tight Core
elt: S
data:
SULFUR
S   11
  1 110800.0000000              0.247635D-03     
  2  16610.0000000              0.192026D-02     
  3   3781.0000000              0.996192D-02     
  4   1071.0000000              0.402975D-01     
  5    349.8000000              0.128604D+00     
  6    126.3000000              0.303480D+00     
  7     49.2600000              0.421432D+00     
  8     20.1600000              0.230781D+00     
  9      5.7200000              0.178971D-01     
 10      2.1820000             -0.297516D-02     
 11      0.4327000              0.849522D-03     
S   11
  1 110800.0000000             -0.687039D-04     
  2  16610.0000000             -0.527681D-03     
  3   3781.0000000             -0.279671D-02     
  4   1071.0000000             -0.112651D-01     
  5    349.8000000             -0.388834D-01     
  6    126.3000000             -0.995025D-01     
  7     49.2600000             -0.199740D+00     
  8     20.1600000             -0.123360D+00     
  9      5.7200000              0.513194D+00     
 10      2.1820000              0.607120D+00     
 11      0.4327000              0.396753D-01     
S   11
  1 110800.0000000              0.199077D-04     
  2  16610.0000000              0.153483D-03     
  3   3781.0000000              0.809503D-03     
  4   1071.0000000              0.328974D-02     
  5    349.8000000              0.112967D-01     
  6    126.3000000              0.296385D-01     
  7     49.2600000              0.599851D-01     
  8     20.1600000              0.413248D-01     
  9      5.7200000             -0.207474D+00     
 10      2.1820000             -0.392889D+00     
 11      0.4327000              0.632840D+00     
S   1
  1      0.1570000              1.0000000        
S   1
  1      6.5010000              1.0000000        
P   7
  1    399.7000000              0.447541D-02     
  2     94.1900000              0.341708D-01     
  3     29.7500000              0.144250D+00     
  4     10.7700000              0.353928D+00     
  5      4.1190000              0.459085D+00     
  6      1.6250000              0.206383D+00     
  7      0.4726000              0.102141D-01     
P   7
  1    399.7000000             -0.116251D-02     
  2     94.1900000             -0.865664D-02     
  3     29.7500000             -0.390886D-01     
  4     10.7700000             -0.934625D-01     
  5      4.1190000             -0.147994D+00     
  6      1.6250000              0.301904D-01     
  7      0.4726000              0.561573D+00     
P   1
  1      0.1407000              1.0000000        
P   1
  1      2.5030000              1.0000000        
D   1
  1      0.4790000              1.0000000        
D   1
  1      3.2110000              1.0000000


name: cc-pwCVDZ
description: DZP Double Zeta + Polarization + Tight Core
elt: Cl
data:
CHLORINE
S   11
  1 127900.0000000              0.241153D-03     
  2  19170.0000000              0.187095D-02     
  3   4363.0000000              0.970827D-02     
  4   1236.0000000              0.393153D-01     
  5    403.6000000              0.125932D+00     
  6    145.7000000              0.299341D+00     
  7     56.8100000              0.421886D+00     
  8     23.2300000              0.237201D+00     
  9      6.6440000              0.191531D-01     
 10      2.5750000             -0.334792D-02     
 11      0.5371000              0.929883D-03     
S   11
  1 127900.0000000             -0.678922D-04     
  2  19170.0000000             -0.521836D-03     
  3   4363.0000000             -0.276513D-02     
  4   1236.0000000             -0.111537D-01     
  5    403.6000000             -0.385919D-01     
  6    145.7000000             -0.994848D-01     
  7     56.8100000             -0.201392D+00     
  8     23.2300000             -0.130313D+00     
  9      6.6440000              0.509443D+00     
 10      2.5750000              0.610725D+00     
 11      0.5371000              0.421549D-01     
S   11
  1 127900.0000000              0.204986D-04     
  2  19170.0000000              0.158298D-03     
  3   4363.0000000              0.833639D-03     
  4   1236.0000000              0.339880D-02     
  5    403.6000000              0.116738D-01     
  6    145.7000000              0.309622D-01     
  7     56.8100000              0.629533D-01     
  8     23.2300000              0.460257D-01     
  9      6.6440000             -0.219312D+00     
 10      2.5750000             -0.408773D+00     
 11      0.5371000              0.638465D+00     
S   1
  1      0.1938000              1.0000000        
S   1
  1      7.5910000              1.0000000        
P   7
  1    417.6000000              0.525982D-02     
  2     98.3300000              0.398332D-01     
  3     31.0400000              0.164655D+00     
  4     11.1900000              0.387322D+00     
  5      4.2490000              0.457072D+00     
  6      1.6240000              0.151636D+00     
  7      0.5322000              0.181615D-02     
P   7
  1    417.6000000             -0.143570D-02     
  2     98.3300000             -0.107796D-01     
  3     31.0400000             -0.470075D-01     
  4     11.1900000             -0.111030D+00     
  5      4.2490000             -0.153275D+00     
  6      1.6240000              0.894609D-01     
  7      0.5322000              0.579444D+00     
P   1
  1      0.1620000              1.0000000        
P   1
  1      3.0920000              1.0000000        
D   1
  1      0.6000000              1.0000000        
D   1
  1      3.7010000              1.0000000


name: cc-pwCVDZ
description: DZP Double Zeta + Polarization + Tight Core
elt: Ar
data:
ARGON
S   11
  1 145700.0000000              0.236700D-03     
  2  21840.0000000              0.183523D-02     
  3   4972.0000000              0.952860D-02     
  4   1408.0000000              0.386283D-01     
  5    459.7000000              0.124081D+00     
  6    165.9000000              0.296471D+00     
  7     64.6900000              0.422068D+00     
  8     26.4400000              0.241711D+00     
  9      7.6280000              0.200509D-01     
 10      2.9960000             -0.361000D-02     
 11      0.6504000              0.975607D-03     
S   11
  1 145700.0000000             -0.674910D-04     
  2  21840.0000000             -0.518522D-03     
  3   4972.0000000             -0.274825D-02     
  4   1408.0000000             -0.111007D-01     
  5    459.7000000             -0.384820D-01     
  6    165.9000000             -0.997599D-01     
  7     64.6900000             -0.203088D+00     
  8     26.4400000             -0.135608D+00     
  9      7.6280000              0.507195D+00     
 10      2.9960000              0.612898D+00     
 11      0.6504000              0.442968D-01     
S   11
  1 145700.0000000              0.210457D-04     
  2  21840.0000000              0.162565D-03     
  3   4972.0000000              0.855463D-03     
  4   1408.0000000              0.349745D-02     
  5    459.7000000              0.120156D-01     
  6    165.9000000              0.321368D-01     
  7     64.6900000              0.655279D-01     
  8     26.4400000              0.499370D-01     
  9      7.6280000             -0.229769D+00     
 10      2.9960000             -0.421006D+00     
 11      0.6504000              0.642331D+00     
S   1
  1      0.2337000              1.0000000        
S   1
  1      8.7420000              1.0000000        
P   7
  1    453.7000000              0.570555D-02     
  2    106.8000000              0.430460D-01     
  3     33.7300000              0.176591D+00     
  4     12.1300000              0.406863D+00     
  5      4.5940000              0.452549D+00     
  6      1.6780000              0.122801D+00     
  7      0.5909000             -0.445996D-02     
P   7
  1    453.7000000             -0.160655D-02     
  2    106.8000000             -0.121714D-01     
  3     33.7300000             -0.520789D-01     
  4     12.1300000             -0.123737D+00     
  5      4.5940000             -0.151619D+00     
  6      1.6780000              0.142425D+00     
  7      0.5909000              0.584501D+00     
P   1
  1      0.1852000              1.0000000        
P   1
  1      3.7110000              1.0000000        
D   1
  1      0.7380000              1.0000000        
D   1
  1      4.2510000              1.0000000        
$


name: cc-pwCVDZ Tight
description: 1T Tight Functions
elt: B
data:
BORON
S   1
  1      2.4630000              1.0000000        
P   1
  1      4.5660000              1.0000000


name: cc-pwCVDZ Tight
description: 1T Tight Functions
elt: C
data:
CARBON
S   1
  1      3.3390000              1.0000000        
P   1
  1      7.2350000              1.0000000


name: cc-pwCVDZ Tight
description: 1T Tight Functions
elt: N
data:
NITROGEN
S   1
  1      4.3200000              1.0000000        
P   1
  1     10.2390000              1.0000000


name: cc-pwCVDZ Tight
description: 1T Tight Functions
elt: O
data:
OXYGEN
S   1
  1      5.4590000              1.0000000        
P   1
  1     13.3200000              1.0000000


name: cc-pwCVDZ Tight
description: 1T Tight Functions
elt: F
data:
FLUORINE
S   1
  1      6.7240000              1.0000000        
P   1
  1     16.8030000              1.0000000


name: cc-pwCVDZ Tight
description: 1T Tight Functions
elt: Ne
data:
NEON
S   1
  1      8.1160000              1.0000000        
P   1
  1     20.6580000              1.0000000


name: cc-pwCVDZ Tight
description: 1T Tight Functions
elt: Al
data:
ALUMINUM
S   1
  1      3.5990000              1.0000000        
P   1
  1      0.9280000              1.0000000        
D   1
  1      1.7920000              1.0000000


name: cc-pwCVDZ Tight
description: 1T Tight Functions
elt: Si
data:
SILICON
S   1
  1      4.4990000              1.0000000        
P   1
  1      1.3880000              1.0000000        
D   1
  1      2.2770000              1.0000000


name: cc-pwCVDZ Tight
description: 1T Tight Functions
elt: P
data:
PHOSPHORUS
S   1
  1      5.4740000              1.0000000        
P   1
  1      1.9390000              1.0000000        
D   1
  1      2.7600000              1.0000000


name: cc-pwCVDZ Tight
description: 1T Tight Functions
elt: S
data:
SULFUR
S   1
  1      6.5010000              1.0000000        
P   1
  1      2.5030000              1.0000000        
D   1
  1      3.2110000              1.0000000


name: cc-pwCVDZ Tight
description: 1T Tight Functions
elt: Cl
data:
CHLORINE
S   1
  1      7.5910000              1.0000000        
P   1
  1      3.0920000              1.0000000        
D   1
  1      3.7010000              1.0000000


name: cc-pwCVDZ Tight
description: 1T Tight Functions
elt: Ar
data:
ARGON
S   1
  1      8.7420000              1.0000000        
P   1
  1      3.7110000              1.0000000        
D   1
  1      4.2510000              1.0000000        
$


name: cc-pwCVDZ-PP MP2 Fitting
description: MP2 auxiliary basis for use with cc-pwCVDZ-PP AO basis set
elt: Y
data:
YTTRIUM
S   1
  1      7.0381800              1.0000000        
S   1
  1      5.2356600              1.0000000        
S   1
  1      3.2213700              1.0000000        
S   1
  1      1.5645600              1.0000000        
S   1
  1      0.7134950              1.0000000        
S   1
  1      0.4573840              1.0000000        
S   1
  1      0.2838410              1.0000000        
S   1
  1      0.1191150              1.0000000        
S   1
  1      0.0597870              1.0000000        
P   1
  1      5.7487700              1.0000000        
P   1
  1      3.3374100              1.0000000        
P   1
  1      2.3186900              1.0000000        
P   1
  1      1.0462000              1.0000000        
P   1
  1      0.7695940              1.0000000        
P   1
  1      0.3986180              1.0000000        
P   1
  1      0.2562210              1.0000000        
P   1
  1      0.1338310              1.0000000        
P   1
  1      0.0616740              1.0000000        
D   1
  1      5.9044000              1.0000000        
D   1
  1      4.7897700              1.0000000        
D   1
  1      1.6885600              1.0000000        
D   1
  1      1.1489100              1.0000000        
D   1
  1      0.5669070              1.0000000        
D   1
  1      0.3151340              1.0000000        
D   1
  1      0.1370640              1.0000000        
D   1
  1      0.0658870              1.0000000        
F   1
  1      6.1885200              1.0000000        
F   1
  1      3.2859600              1.0000000        
F   1
  1      1.6685700              1.0000000        
F   1
  1      0.9043300              1.0000000        
F   1
  1      0.5148060              1.0000000        
F   1
  1      0.2628570              1.0000000        
F   1
  1      0.1329460              1.0000000        
F   1
  1      0.0809100              1.0000000        
G   1
  1      3.9222800              1.0000000        
G   1
  1      2.2883900              1.0000000        
G   1
  1      1.3450300              1.0000000        
G   1
  1      0.5716740              1.0000000        
G   1
  1      0.2236760              1.0000000        
G   1
  1      0.1033320              1.0000000        
H   1
  1      1.9504700              1.0000000        
H   1
  1      1.1835200              1.0000000        
H   1
  1      0.3738270              1.0000000


name: cc-pwCVDZ-PP MP2 Fitting
description: MP2 auxiliary basis for use with cc-pwCVDZ-PP AO basis set
elt: Zr
data:
ZIRCONIUM
S   1
  1      7.5560500              1.0000000        
S   1
  1      5.7954400              1.0000000        
S   1
  1      3.6790200              1.0000000        
S   1
  1      1.8585300              1.0000000        
S   1
  1      0.8131350              1.0000000        
S   1
  1      0.6415330              1.0000000        
S   1
  1      0.3748690              1.0000000        
S   1
  1      0.1460590              1.0000000        
S   1
  1      0.0637880              1.0000000        
P   1
  1      6.3161900              1.0000000        
P   1
  1      3.7175500              1.0000000        
P   1
  1      2.9330700              1.0000000        
P   1
  1      1.2743400              1.0000000        
P   1
  1      0.9386850              1.0000000        
P   1
  1      0.4781590              1.0000000        
P   1
  1      0.2996530              1.0000000        
P   1
  1      0.1351100              1.0000000        
P   1
  1      0.0651670              1.0000000        
D   1
  1      6.0441100              1.0000000        
D   1
  1      4.3929300              1.0000000        
D   1
  1      2.1365500              1.0000000        
D   1
  1      1.3369100              1.0000000        
D   1
  1      0.6929450              1.0000000        
D   1
  1      0.3988000              1.0000000        
D   1
  1      0.1714350              1.0000000        
D   1
  1      0.0813540              1.0000000        
F   1
  1      7.3643800              1.0000000        
F   1
  1      4.2887300              1.0000000        
F   1
  1      2.0091600              1.0000000        
F   1
  1      1.1515700              1.0000000        
F   1
  1      0.7014270              1.0000000        
F   1
  1      0.3819820              1.0000000        
F   1
  1      0.1881670              1.0000000        
F   1
  1      0.0915620              1.0000000        
G   1
  1      4.4951600              1.0000000        
G   1
  1      2.5201900              1.0000000        
G   1
  1      1.6128200              1.0000000        
G   1
  1      0.7611010              1.0000000        
G   1
  1      0.2977260              1.0000000        
G   1
  1      0.1242230              1.0000000        
H   1
  1      2.1594100              1.0000000        
H   1
  1      1.4220100              1.0000000        
H   1
  1      0.5723240              1.0000000


name: cc-pwCVDZ-PP MP2 Fitting
description: MP2 auxiliary basis for use with cc-pwCVDZ-PP AO basis set
elt: Nb
data:
NIOBIUM
S   1
  1      8.6138600              1.0000000        
S   1
  1      6.5743400              1.0000000        
S   1
  1      4.0120700              1.0000000        
S   1
  1      1.9054500              1.0000000        
S   1
  1      1.0245000              1.0000000        
S   1
  1      0.6549330              1.0000000        
S   1
  1      0.3921990              1.0000000        
S   1
  1      0.1643810              1.0000000        
S   1
  1      0.0731180              1.0000000        
P   1
  1      6.6002900              1.0000000        
P   1
  1      4.0965000              1.0000000        
P   1
  1      3.0549400              1.0000000        
P   1
  1      1.6652200              1.0000000        
P   1
  1      0.9401540              1.0000000        
P   1
  1      0.5257510              1.0000000        
P   1
  1      0.3376380              1.0000000        
P   1
  1      0.1555990              1.0000000        
P   1
  1      0.0726230              1.0000000        
D   1
  1      6.8138300              1.0000000        
D   1
  1      4.8927300              1.0000000        
D   1
  1      2.3291700              1.0000000        
D   1
  1      1.6950800              1.0000000        
D   1
  1      0.7936390              1.0000000        
D   1
  1      0.5304970              1.0000000        
D   1
  1      0.2237880              1.0000000        
D   1
  1      0.0950370              1.0000000        
F   1
  1      7.7718800              1.0000000        
F   1
  1      4.9248800              1.0000000        
F   1
  1      2.3115800              1.0000000        
F   1
  1      1.2383800              1.0000000        
F   1
  1      0.7163760              1.0000000        
F   1
  1      0.4077800              1.0000000        
F   1
  1      0.2070350              1.0000000        
F   1
  1      0.0948430              1.0000000        
G   1
  1      5.4275900              1.0000000        
G   1
  1      2.4966300              1.0000000        
G   1
  1      1.2105000              1.0000000        
G   1
  1      0.7939930              1.0000000        
G   1
  1      0.3101730              1.0000000        
G   1
  1      0.1298150              1.0000000        
H   1
  1      2.5274700              1.0000000        
H   1
  1      1.3788000              1.0000000        
H   1
  1      0.7150310              1.0000000


name: cc-pwCVDZ-PP MP2 Fitting
description: MP2 auxiliary basis for use with cc-pwCVDZ-PP AO basis set
elt: Mo
data:
MOLYBDENUM
S   1
  1      9.2109700              1.0000000        
S   1
  1      7.4538300              1.0000000        
S   1
  1      4.1194100              1.0000000        
S   1
  1      1.9594900              1.0000000        
S   1
  1      1.2312900              1.0000000        
S   1
  1      0.6554600              1.0000000        
S   1
  1      0.3513460              1.0000000        
S   1
  1      0.1698050              1.0000000        
S   1
  1      0.0752380              1.0000000        
P   1
  1      7.1178800              1.0000000        
P   1
  1      4.3861000              1.0000000        
P   1
  1      3.2221400              1.0000000        
P   1
  1      1.7672600              1.0000000        
P   1
  1      1.0248900              1.0000000        
P   1
  1      0.5853430              1.0000000        
P   1
  1      0.3689710              1.0000000        
P   1
  1      0.1789030              1.0000000        
P   1
  1      0.0816970              1.0000000        
D   1
  1      7.9194700              1.0000000        
D   1
  1      5.1365800              1.0000000        
D   1
  1      2.5706200              1.0000000        
D   1
  1      1.6996900              1.0000000        
D   1
  1      0.9193660              1.0000000        
D   1
  1      0.5352510              1.0000000        
D   1
  1      0.2404800              1.0000000        
D   1
  1      0.1105720              1.0000000        
F   1
  1      8.4610900              1.0000000        
F   1
  1      5.5103400              1.0000000        
F   1
  1      2.6564400              1.0000000        
F   1
  1      1.3871100              1.0000000        
F   1
  1      0.8455390              1.0000000        
F   1
  1      0.4885210              1.0000000        
F   1
  1      0.2416060              1.0000000        
F   1
  1      0.1090490              1.0000000        
G   1
  1      7.6258300              1.0000000        
G   1
  1      2.8925400              1.0000000        
G   1
  1      1.6085200              1.0000000        
G   1
  1      1.0276700              1.0000000        
G   1
  1      0.3921210              1.0000000        
G   1
  1      0.1706480              1.0000000        
H   1
  1      3.0562200              1.0000000        
H   1
  1      1.7004700              1.0000000        
H   1
  1      0.9210930              1.0000000


name: cc-pwCVDZ-PP MP2 Fitting
description: MP2 auxiliary basis for use with cc-pwCVDZ-PP AO basis set
elt: Tc
data:
TECHNETIUM
S   1
  1      9.8017100              1.0000000        
S   1
  1      7.0380900              1.0000000        
S   1
  1      4.8585000              1.0000000        
S   1
  1      2.3925500              1.0000000        
S   1
  1      1.4763600              1.0000000        
S   1
  1      0.6892540              1.0000000        
S   1
  1      0.3460280              1.0000000        
S   1
  1      0.1617170              1.0000000        
S   1
  1      0.0811610              1.0000000        
P   1
  1      8.1883500              1.0000000        
P   1
  1      5.8214600              1.0000000        
P   1
  1      3.5185200              1.0000000        
P   1
  1      2.3982400              1.0000000        
P   1
  1      1.1487800              1.0000000        
P   1
  1      0.7862580              1.0000000        
P   1
  1      0.4164420              1.0000000        
P   1
  1      0.1987770              1.0000000        
P   1
  1      0.0893810              1.0000000        
D   1
  1      9.5152700              1.0000000        
D   1
  1      4.8684700              1.0000000        
D   1
  1      2.9544000              1.0000000        
D   1
  1      1.5394300              1.0000000        
D   1
  1      1.0130500              1.0000000        
D   1
  1      0.5445190              1.0000000        
D   1
  1      0.2661070              1.0000000        
D   1
  1      0.1206720              1.0000000        
F   1
  1     10.1499000              1.0000000        
F   1
  1      6.3208800              1.0000000        
F   1
  1      3.0276300              1.0000000        
F   1
  1      1.7767000              1.0000000        
F   1
  1      1.1500000              1.0000000        
F   1
  1      0.6187310              1.0000000        
F   1
  1      0.2800520              1.0000000        
F   1
  1      0.1240550              1.0000000        
G   1
  1      9.6594200              1.0000000        
G   1
  1      3.3098700              1.0000000        
G   1
  1      1.7562600              1.0000000        
G   1
  1      1.1192600              1.0000000        
G   1
  1      0.4526920              1.0000000        
G   1
  1      0.1884170              1.0000000        
H   1
  1      3.5609500              1.0000000        
H   1
  1      2.1346800              1.0000000        
H   1
  1      1.1149900              1.0000000


name: cc-pwCVDZ-PP MP2 Fitting
description: MP2 auxiliary basis for use with cc-pwCVDZ-PP AO basis set
elt: Ru
data:
RUTHENIUM
S   1
  1     10.1988000              1.0000000        
S   1
  1      7.3366400              1.0000000        
S   1
  1      5.2211100              1.0000000        
S   1
  1      2.6180200              1.0000000        
S   1
  1      1.5882100              1.0000000        
S   1
  1      0.8445510              1.0000000        
S   1
  1      0.3479480              1.0000000        
S   1
  1      0.1690030              1.0000000        
S   1
  1      0.0876470              1.0000000        
P   1
  1      8.6218900              1.0000000        
P   1
  1      6.0274400              1.0000000        
P   1
  1      3.7039500              1.0000000        
P   1
  1      2.6253500              1.0000000        
P   1
  1      1.2071300              1.0000000        
P   1
  1      0.8518970              1.0000000        
P   1
  1      0.4376850              1.0000000        
P   1
  1      0.2191380              1.0000000        
P   1
  1      0.0990030              1.0000000        
D   1
  1     10.5685000              1.0000000        
D   1
  1      5.4218500              1.0000000        
D   1
  1      3.3641400              1.0000000        
D   1
  1      1.6737400              1.0000000        
D   1
  1      1.1529900              1.0000000        
D   1
  1      0.5666630              1.0000000        
D   1
  1      0.2947070              1.0000000        
D   1
  1      0.1323570              1.0000000        
F   1
  1     10.6872000              1.0000000        
F   1
  1      6.7258900              1.0000000        
F   1
  1      3.4059800              1.0000000        
F   1
  1      1.8822900              1.0000000        
F   1
  1      1.2370000              1.0000000        
F   1
  1      0.6582130              1.0000000        
F   1
  1      0.2986650              1.0000000        
F   1
  1      0.1324120              1.0000000        
G   1
  1     10.3255000              1.0000000        
G   1
  1      3.7247900              1.0000000        
G   1
  1      1.9775600              1.0000000        
G   1
  1      1.2486000              1.0000000        
G   1
  1      0.5252570              1.0000000        
G   1
  1      0.2148120              1.0000000        
H   1
  1      4.0562300              1.0000000        
H   1
  1      2.3625200              1.0000000        
H   1
  1      1.2850400              1.0000000


name: cc-pwCVDZ-PP MP2 Fitting
description: MP2 auxiliary basis for use with cc-pwCVDZ-PP AO basis set
elt: Rh
data:
RHODIUM
S   1
  1     10.8856000              1.0000000        
S   1
  1      7.5846000              1.0000000        
S   1
  1      5.4091600              1.0000000        
S   1
  1      2.8172600              1.0000000        
S   1
  1      1.7624500              1.0000000        
S   1
  1      0.9712070              1.0000000        
S   1
  1      0.5020170              1.0000000        
S   1
  1      0.1735170              1.0000000        
S   1
  1      0.0954340              1.0000000        
P   1
  1      9.1411900              1.0000000        
P   1
  1      6.3599500              1.0000000        
P   1
  1      3.8484200              1.0000000        
P   1
  1      3.0261500              1.0000000        
P   1
  1      1.2115300              1.0000000        
P   1
  1      0.8892560              1.0000000        
P   1
  1      0.4787960              1.0000000        
P   1
  1      0.2403520              1.0000000        
P   1
  1      0.1280660              1.0000000        
D   1
  1     11.7233000              1.0000000        
D   1
  1      5.9507500              1.0000000        
D   1
  1      3.7724800              1.0000000        
D   1
  1      1.8315500              1.0000000        
D   1
  1      1.2710900              1.0000000        
D   1
  1      0.6325910              1.0000000        
D   1
  1      0.3729550              1.0000000        
D   1
  1      0.1811200              1.0000000        
F   1
  1     11.4743000              1.0000000        
F   1
  1      7.0705600              1.0000000        
F   1
  1      3.9400800              1.0000000        
F   1
  1      2.0309700              1.0000000        
F   1
  1      1.3583400              1.0000000        
F   1
  1      0.7061180              1.0000000        
F   1
  1      0.3390740              1.0000000        
F   1
  1      0.1504350              1.0000000        
G   1
  1     10.9626000              1.0000000        
G   1
  1      4.1763200              1.0000000        
G   1
  1      2.3473500              1.0000000        
G   1
  1      1.4370400              1.0000000        
G   1
  1      0.7338630              1.0000000        
G   1
  1      0.2961630              1.0000000        
H   1
  1      4.6121100              1.0000000        
H   1
  1      2.7294700              1.0000000        
H   1
  1      1.4967600              1.0000000


name: cc-pwCVDZ-PP MP2 Fitting
description: MP2 auxiliary basis for use with cc-pwCVDZ-PP AO basis set
elt: Pd
data:
PALLADIUM
S   1
  1     11.4019000              1.0000000        
S   1
  1      8.0128400              1.0000000        
S   1
  1      6.2885500              1.0000000        
S   1
  1      4.2066700              1.0000000        
S   1
  1      2.2603200              1.0000000        
S   1
  1      1.0821500              1.0000000        
S   1
  1      0.7733130              1.0000000        
S   1
  1      0.4137930              1.0000000        
S   1
  1      0.1868410              1.0000000        
P   1
  1     11.0159000              1.0000000        
P   1
  1      7.5637800              1.0000000        
P   1
  1      4.5762500              1.0000000        
P   1
  1      3.6886100              1.0000000        
P   1
  1      1.3356100              1.0000000        
P   1
  1      1.0136900              1.0000000        
P   1
  1      0.4427660              1.0000000        
P   1
  1      0.2423360              1.0000000        
P   1
  1      0.1318280              1.0000000        
D   1
  1     12.6047000              1.0000000        
D   1
  1      6.1985800              1.0000000        
D   1
  1      4.1986500              1.0000000        
D   1
  1      2.0919000              1.0000000        
D   1
  1      1.3469200              1.0000000        
D   1
  1      0.6729460              1.0000000        
D   1
  1      0.3249700              1.0000000        
D   1
  1      0.1847750              1.0000000        
F   1
  1     12.8134000              1.0000000        
F   1
  1      7.5280100              1.0000000        
F   1
  1      4.3816600              1.0000000        
F   1
  1      2.1640400              1.0000000        
F   1
  1      1.4731800              1.0000000        
F   1
  1      0.7322050              1.0000000        
F   1
  1      0.3423330              1.0000000        
F   1
  1      0.1717110              1.0000000        
G   1
  1     11.5056000              1.0000000        
G   1
  1      4.5240300              1.0000000        
G   1
  1      2.7654900              1.0000000        
G   1
  1      1.5938800              1.0000000        
G   1
  1      0.7848640              1.0000000        
G   1
  1      0.3109640              1.0000000        
H   1
  1      5.1504300              1.0000000        
H   1
  1      3.0764500              1.0000000        
H   1
  1      1.6903900              1.0000000


name: cc-pwCVDZ-RI tight
description: N/A
elt: B
data:
BORON
S   1
  1    160.6830000              1.0000000        
S   1
  1     23.3433000              1.0000000        
S   1
  1      6.4028000              1.0000000        
P   1
  1     52.5280000              1.0000000        
P   1
  1      9.2486300              1.0000000        
D   1
  1      5.9812000              1.0000000


name: cc-pwCVDZ-RI tight
description: N/A
elt: C
data:
CARBON
S   1
  1    275.8860000              1.0000000        
S   1
  1     34.1417000              1.0000000        
S   1
  1      8.2901000              1.0000000        
P   1
  1     62.8272000              1.0000000        
P   1
  1     10.1795000              1.0000000        
D   1
  1     28.4479000              1.0000000


name: cc-pwCVDZ-RI tight
description: N/A
elt: N
data:
NITROGEN
S   1
  1    418.2000000              1.0000000        
S   1
  1     40.2220000              1.0000000        
S   1
  1     11.6900000              1.0000000        
P   1
  1     73.6756000              1.0000000        
P   1
  1     15.4815000              1.0000000        
D   1
  1     28.2002000              1.0000000


name: cc-pwCVDZ-RI tight
description: N/A
elt: O
data:
OXYGEN
S   1
  1    506.5590000              1.0000000        
S   1
  1     48.1539000              1.0000000        
S   1
  1     14.5739000              1.0000000        
P   1
  1     76.5639000              1.0000000        
P   1
  1     19.8279000              1.0000000        
D   1
  1     30.5022000              1.0000000


name: cc-pwCVDZ-RI tight
description: N/A
elt: F
data:
FLUORINE
S   1
  1    582.3270000              1.0000000        
S   1
  1     63.1976000              1.0000000        
S   1
  1     18.0090000              1.0000000        
P   1
  1    103.2490000              1.0000000        
P   1
  1     23.0199000              1.0000000        
D   1
  1     32.1531000              1.0000000


name: cc-pwCVDZ-RI tight
description: N/A
elt: Ne
data:
NEON
S   1
  1    726.7080000              1.0000000        
S   1
  1     88.9066000              1.0000000        
S   1
  1     23.9832000              1.0000000        
P   1
  1    117.2660000              1.0000000        
P   1
  1     29.0727000              1.0000000        
D   1
  1     35.0086000              1.0000000


name: cc-pwCVDZ-RI tight
description: N/A
elt: Al
data:
ALUMINUM
S   1
  1    499.0370000              1.0000000        
S   1
  1    116.8940000              1.0000000        
S   1
  1     28.7395000              1.0000000        
P   1
  1    179.3890000              1.0000000        
P   1
  1     39.4495000              1.0000000        
P   1
  1      9.4324900              1.0000000        
D   1
  1     33.6423000              1.0000000        
D   1
  1      6.5521600              1.0000000        
D   1
  1      0.7000760              1.0000000        
F   1
  1     12.9675000              1.0000000        
F   1
  1      0.7805280              1.0000000


name: cc-pwCVDZ-RI tight
description: N/A
elt: Si
data:
SILICON
S   1
  1    501.1960000              1.0000000        
S   1
  1    113.6310000              1.0000000        
S   1
  1     29.3353000              1.0000000        
P   1
  1    249.7410000              1.0000000        
P   1
  1     49.7677000              1.0000000        
P   1
  1      3.5486400              1.0000000        
D   1
  1     41.8900000              1.0000000        
D   1
  1      8.9542500              1.0000000        
D   1
  1      0.9889740              1.0000000        
F   1
  1     11.4933000              1.0000000        
F   1
  1      1.2000000              1.0000000


name: cc-pwCVDZ-RI tight
description: N/A
elt: P
data:
PHOSPHORUS
S   1
  1   1139.2200000              1.0000000        
S   1
  1    111.6330000              1.0000000        
S   1
  1     29.3111000              1.0000000        
P   1
  1    393.8230000              1.0000000        
P   1
  1     39.1216000              1.0000000        
P   1
  1      4.1106600              1.0000000        
D   1
  1     53.5025000              1.0000000        
D   1
  1     11.3353000              1.0000000        
D   1
  1      1.3339100              1.0000000        
F   1
  1     13.4413000              1.0000000        
F   1
  1      1.5000000              1.0000000


name: cc-pwCVDZ-RI tight
description: N/A
elt: S
data:
SULFUR
S   1
  1    900.7350000              1.0000000        
S   1
  1    111.3840000              1.0000000        
S   1
  1     29.0209000              1.0000000        
P   1
  1    251.6990000              1.0000000        
P   1
  1     45.3874000              1.0000000        
P   1
  1      4.2949500              1.0000000        
D   1
  1     67.3216000              1.0000000        
D   1
  1     12.9274000              1.0000000        
D   1
  1      1.6918100              1.0000000        
F   1
  1     15.6678000              1.0000000        
F   1
  1      2.0000000              1.0000000


name: cc-pwCVDZ-RI tight
description: N/A
elt: Cl
data:
CHLORINE
S   1
  1   2000.1600000              1.0000000        
S   1
  1    142.5260000              1.0000000        
S   1
  1     34.0000000              1.0000000        
P   1
  1    568.8670000              1.0000000        
P   1
  1     43.5568000              1.0000000        
P   1
  1      5.0589100              1.0000000        
D   1
  1     81.1489000              1.0000000        
D   1
  1     15.1852000              1.0000000        
D   1
  1      2.0536000              1.0000000        
F   1
  1     16.6613000              1.0000000        
F   1
  1      2.3500000              1.0000000


name: cc-pwCVDZ-RI tight
description: N/A
elt: Ar
data:
ARGON
S   1
  1   1501.0100000              1.0000000        
S   1
  1    161.3490000              1.0000000        
S   1
  1     45.0561000              1.0000000        
P   1
  1    388.8580000              1.0000000        
P   1
  1    100.0000000              1.0000000        
P   1
  1     30.0000000              1.0000000        
D   1
  1     81.3468000              1.0000000        
D   1
  1     17.5038000              1.0000000        
D   1
  1      2.3730500              1.0000000        
F   1
  1     24.6097000              1.0000000        
F   1
  1      3.0000000              1.0000000        
$


name: cc-pwCVDZ-RI
elt: Cu
data:
COPPER
S   1
  1     22.054400000            1.0000000        
S   1
  1      5.9773500000           1.0000000        
S   1
  1      3.4983200000           1.0000000        
S   1
  1     11.045100000            1.0000000        
S   1
  1      2.0977500000           1.0000000        
S   1
  1      1.0950100000           1.0000000        
S   1
  1      0.48017200000          1.0000000        
S   1
  1      0.24237300000          1.0000000        
S   1
  1      0.11556900000          1.0000000        
P   1
  1     31.763100000            1.0000000        
P   1
  1     14.293400000            1.0000000        
P   1
  1      6.7791800000           1.0000000        
P   1
  1      3.8308500000           1.0000000        
P   1
  1      2.6124400000           1.0000000        
P   1
  1      1.2880900000           1.0000000        
P   1
  1      0.50662300000          1.0000000        
P   1
  1      0.27942700000          1.0000000        
P   1
  1      0.13177600000          1.0000000        
D   1
  1     19.192100000            1.0000000        
D   1
  1      8.9119500000           1.0000000        
D   1
  1      6.7244500000           1.0000000        
D   1
  1      3.6967700000           1.0000000        
D   1
  1      1.7334700000           1.0000000        
D   1
  1      0.73565000000          1.0000000        
D   1
  1      0.38458800000          1.0000000        
F   1
  1     23.301700000            1.0000000        
F   1
  1     10.014300000            1.0000000        
F   1
  1      4.6122600000           1.0000000        
F   1
  1      2.5156700000           1.0000000        
F   1
  1      1.1710700000           1.0000000        
F   1
  1      0.55118000000          1.0000000        
F   1
  1      0.24446700000          1.0000000        
G   1
  1     33.945900000            1.0000000        
G   1
  1     13.683300000            1.0000000        
G   1
  1      8.7116800000           1.0000000        
G   1
  1      4.6468100000           1.0000000        
G   1
  1      1.8871300000           1.0000000        
G   1
  1      0.66700900000          1.0000000        
H   1
  1     16.305100000            1.0000000        
H   1
  1      9.0002500000           1.0000000        
H   1
  1      4.1872700000           1.0000000


name: cc-pwCVDZ-RI
elt: Zn
data:
ZINC
S   1
  1     24.190800000            1.0000000        
S   1
  1      6.7881400000           1.0000000        
S   1
  1      3.7409400000           1.0000000        
S   1
  1     12.198600000            1.0000000        
S   1
  1      2.3823600000           1.0000000        
S   1
  1      1.2423800000           1.0000000        
S   1
  1      0.52809400000          1.0000000        
S   1
  1      0.25738000000          1.0000000        
S   1
  1      0.11718800000          1.0000000        
P   1
  1     32.569900000            1.0000000        
P   1
  1     16.091700000            1.0000000        
P   1
  1      7.9807200000           1.0000000        
P   1
  1      4.4891000000           1.0000000        
P   1
  1      2.9296600000           1.0000000        
P   1
  1      1.3562100000           1.0000000        
P   1
  1      0.65274500000          1.0000000        
P   1
  1      0.33334400000          1.0000000        
P   1
  1      0.12273600000          1.0000000        
D   1
  1     21.470800000            1.0000000        
D   1
  1     10.187600000            1.0000000        
D   1
  1      7.4332000000           1.0000000        
D   1
  1      4.3596000000           1.0000000        
D   1
  1      2.0488300000           1.0000000        
D   1
  1      0.97354300000          1.0000000        
D   1
  1      0.48671200000          1.0000000        
F   1
  1     25.827100000            1.0000000        
F   1
  1     11.309900000            1.0000000        
F   1
  1      5.2552300000           1.0000000        
F   1
  1      2.8483100000           1.0000000        
F   1
  1      1.3403400000           1.0000000        
F   1
  1      0.61333300000          1.0000000        
F   1
  1      0.26912900000          1.0000000        
G   1
  1     43.472900000            1.0000000        
G   1
  1     17.650400000            1.0000000        
G   1
  1     10.971200000            1.0000000        
G   1
  1      5.4325900000           1.0000000        
G   1
  1      2.3413900000           1.0000000        
G   1
  1      0.87181300000          1.0000000        
H   1
  1     18.845800000            1.0000000        
H   1
  1     10.521600000            1.0000000        
H   1
  1      4.9365000000           1.0000000


name: cc-pwCVDZ-RI
elt: Ag
data:
SILVER
S   1
  1     17.072600000            1.0000000        
S   1
  1     10.045500000            1.0000000        
S   1
  1      6.5112300000           1.0000000        
S   1
  1      3.0735100000           1.0000000        
S   1
  1      1.9578800000           1.0000000        
S   1
  1      1.0101800000           1.0000000        
S   1
  1      0.49676000000          1.0000000        
S   1
  1      0.21749900000          1.0000000        
S   1
  1      0.11077900000          1.0000000        
P   1
  1     12.811400000            1.0000000        
P   1
  1      6.1669900000           1.0000000        
P   1
  1      4.2258600000           1.0000000        
P   1
  1      2.6335500000           1.0000000        
P   1
  1      1.4799600000           1.0000000        
P   1
  1      0.91049200000          1.0000000        
P   1
  1      0.47004600000          1.0000000        
P   1
  1      0.24288300000          1.0000000        
P   1
  1      0.11793000000          1.0000000        
D   1
  1      9.1778200000           1.0000000        
D   1
  1      6.4589900000           1.0000000        
D   1
  1      4.1302300000           1.0000000        
D   1
  1      2.2196400000           1.0000000        
D   1
  1      1.0826300000           1.0000000        
D   1
  1      0.59050700000          1.0000000        
D   1
  1      0.25080600000          1.0000000        
F   1
  1      9.2191200000           1.0000000        
F   1
  1      5.0980000000           1.0000000        
F   1
  1      3.5442700000           1.0000000        
F   1
  1      2.0102200000           1.0000000        
F   1
  1      1.0185000000           1.0000000        
F   1
  1      0.45293900000          1.0000000        
F   1
  1      0.24690800000          1.0000000        
G   1
  1     11.457100000            1.0000000        
G   1
  1      4.8534400000           1.0000000        
G   1
  1      2.5252600000           1.0000000        
G   1
  1      1.0276100000           1.0000000        
G   1
  1      0.43406000000          1.0000000        
H   1
  1      5.7561500000           1.0000000        
H   1
  1      3.3237100000           1.0000000        
H   1
  1      1.8984000000           1.0000000


name: cc-pwCVDZ-RI
elt: Cd
data:
CADMIUM
S   1
  1     19.662400000            1.0000000        
S   1
  1     11.365300000            1.0000000        
S   1
  1      6.6494800000           1.0000000        
S   1
  1      3.3813900000           1.0000000        
S   1
  1      1.9818300000           1.0000000        
S   1
  1      1.1020100000           1.0000000        
S   1
  1      0.63557200000          1.0000000        
S   1
  1      0.26740700000          1.0000000        
S   1
  1      0.94282800000E-01            1.0000000        
P   1
  1     14.061300000            1.0000000        
P   1
  1      6.7579000000           1.0000000        
P   1
  1      4.8174600000           1.0000000        
P   1
  1      3.2013200000           1.0000000        
P   1
  1      1.7224100000           1.0000000        
P   1
  1      0.94422000000          1.0000000        
P   1
  1      0.49828300000          1.0000000        
P   1
  1      0.22978900000          1.0000000        
P   1
  1      0.97990700000E-01            1.0000000        
D   1
  1      8.3950100000           1.0000000        
D   1
  1      6.6821300000           1.0000000        
D   1
  1      4.5080100000           1.0000000        
D   1
  1      2.2721300000           1.0000000        
D   1
  1      1.1052200000           1.0000000        
D   1
  1      0.63271900000          1.0000000        
D   1
  1      0.29421100000          1.0000000        
F   1
  1     10.159700000            1.0000000        
F   1
  1      5.7946300000           1.0000000        
F   1
  1      4.2159400000           1.0000000        
F   1
  1      2.3603100000           1.0000000        
F   1
  1      1.1863700000           1.0000000        
F   1
  1      0.58782500000          1.0000000        
F   1
  1      0.31301200000          1.0000000        
G   1
  1     12.782600000            1.0000000        
G   1
  1      5.5707300000           1.0000000        
G   1
  1      2.9030600000           1.0000000        
G   1
  1      1.2282600000           1.0000000        
G   1
  1      0.54051800000          1.0000000        
H   1
  1      6.6386900000           1.0000000        
H   1
  1      3.7738100000           1.0000000        
H   1
  1      2.1920600000           1.0000000


name: cc-pwCVDZ-RI
elt: Au
data:
GOLD
S   1
  1     12.137900000            1.0000000        
S   1
  1      7.0709400000           1.0000000        
S   1
  1      4.4432200000           1.0000000        
S   1
  1      3.0010200000           1.0000000        
S   1
  1      2.0698200000           1.0000000        
S   1
  1      1.0420500000           1.0000000        
S   1
  1      0.48691700000          1.0000000        
S   1
  1      0.22715700000          1.0000000        
S   1
  1      0.11286300000          1.0000000        
P   1
  1     17.429300000            1.0000000        
P   1
  1     10.442000000            1.0000000        
P   1
  1      5.4679600000           1.0000000        
P   1
  1      3.1530900000           1.0000000        
P   1
  1      1.9699400000           1.0000000        
P   1
  1      0.96204400000          1.0000000        
P   1
  1      0.48861900000          1.0000000        
P   1
  1      0.25063100000          1.0000000        
P   1
  1      0.12671300000          1.0000000        
D   1
  1      8.6937300000           1.0000000        
D   1
  1      4.7331200000           1.0000000        
D   1
  1      3.1858000000           1.0000000        
D   1
  1      1.8604400000           1.0000000        
D   1
  1      0.84699600000          1.0000000        
D   1
  1      0.45859300000          1.0000000        
D   1
  1      0.20666700000          1.0000000        
F   1
  1      4.4694300000           1.0000000        
F   1
  1      6.9152400000           1.0000000        
F   1
  1      3.0355000000           1.0000000        
F   1
  1      1.5615600000           1.0000000        
F   1
  1      0.85774400000          1.0000000        
F   1
  1      0.36799400000          1.0000000        
F   1
  1      0.20002300000          1.0000000        
G   1
  1      7.8036700000           1.0000000        
G   1
  1      3.4421600000           1.0000000        
G   1
  1      1.1546000000           1.0000000        
G   1
  1      2.5131100000           1.0000000        
G   1
  1      0.64296000000          1.0000000        
G   1
  1      0.33032300000          1.0000000        
H   1
  1      3.3548600000           1.0000000        
H   1
  1      2.4673200000           1.0000000        
H   1
  1      1.3853800000           1.0000000


name: cc-pwCVDZ-RI
elt: Hg
data:
MERCURY
S   1
  1     14.322700000            1.0000000        
S   1
  1      7.6325700000           1.0000000        
S   1
  1      4.8701900000           1.0000000        
S   1
  1      3.3610700000           1.0000000        
S   1
  1      2.3629100000           1.0000000        
S   1
  1      1.2087000000           1.0000000        
S   1
  1      0.56721300000          1.0000000        
S   1
  1      0.26297900000          1.0000000        
S   1
  1      0.12897000000          1.0000000        
P   1
  1     20.543500000            1.0000000        
P   1
  1     11.413700000            1.0000000        
P   1
  1      5.8804100000           1.0000000        
P   1
  1      3.4278100000           1.0000000        
P   1
  1      2.1842200000           1.0000000        
P   1
  1      1.0506400000           1.0000000        
P   1
  1      0.51016800000          1.0000000        
P   1
  1      0.23292400000          1.0000000        
P   1
  1      0.10444400000          1.0000000        
D   1
  1      9.8234900000           1.0000000        
D   1
  1      4.8677700000           1.0000000        
D   1
  1      3.4237300000           1.0000000        
D   1
  1      2.0839300000           1.0000000        
D   1
  1      0.96293700000          1.0000000        
D   1
  1      0.50863300000          1.0000000        
D   1
  1      0.23647800000          1.0000000        
F   1
  1      5.1360800000           1.0000000        
F   1
  1      7.5187100000           1.0000000        
F   1
  1      3.2727300000           1.0000000        
F   1
  1      1.7796400000           1.0000000        
F   1
  1      1.0090800000           1.0000000        
F   1
  1      0.43609000000          1.0000000        
F   1
  1      0.23145900000          1.0000000        
G   1
  1      9.0725600000           1.0000000        
G   1
  1      3.9801600000           1.0000000        
G   1
  1      1.3744500000           1.0000000        
G   1
  1      2.6577500000           1.0000000        
G   1
  1      0.72487500000          1.0000000        
G   1
  1      0.38877200000          1.0000000        
H   1
  1      3.7284200000           1.0000000        
H   1
  1      1.5652600000           1.0000000        
H   1
  1      2.7199500000           1.0000000


name: cc-pwCVQZ Tight
description: 3T Tight Functions
elt: B
data:
BORON
S   1
  1      3.7680000              1.0000000        
S   1
  1     10.4140000              1.0000000        
S   1
  1     28.7880000              1.0000000        
P   1
  1      3.8470000              1.0000000        
P   1
  1     11.9250000              1.0000000        
P   1
  1     36.9710000              1.0000000        
D   1
  1      3.7180000              1.0000000        
D   1
  1     16.5740000              1.0000000        
F   1
  1      3.6920000              1.0000000


name: cc-pwCVQZ Tight
description: 3T Tight Functions
elt: C
data:
CARBON
S   1
  1      5.5840000              1.0000000        
S   1
  1     15.1090000              1.0000000        
S   1
  1     40.8810000              1.0000000        
P   1
  1      5.9960000              1.0000000        
P   1
  1     18.0570000              1.0000000        
P   1
  1     54.3820000              1.0000000        
D   1
  1      5.8880000              1.0000000        
D   1
  1     22.8040000              1.0000000        
F   1
  1      6.1160000              1.0000000


name: cc-pwCVQZ Tight
description: 3T Tight Functions
elt: N
data:
NITROGEN
S   1
  1      7.8290000              1.0000000        
S   1
  1     20.7350000              1.0000000        
S   1
  1     54.9170000              1.0000000        
P   1
  1      8.5540000              1.0000000        
P   1
  1     25.1900000              1.0000000        
P   1
  1     74.1850000              1.0000000        
D   1
  1      8.6930000              1.0000000        
D   1
  1     31.1670000              1.0000000        
F   1
  1      8.9720000              1.0000000


name: cc-pwCVQZ Tight
description: 3T Tight Functions
elt: O
data:
OXYGEN
S   1
  1     10.4780000              1.0000000        
S   1
  1     27.3140000              1.0000000        
S   1
  1     71.2060000              1.0000000        
P   1
  1     11.1610000              1.0000000        
P   1
  1     32.4590000              1.0000000        
P   1
  1     94.3980000              1.0000000        
D   1
  1     11.4690000              1.0000000        
D   1
  1     39.2390000              1.0000000        
F   1
  1     12.1630000              1.0000000


name: cc-pwCVQZ Tight
description: 3T Tight Functions
elt: F
data:
FLUORINE
S   1
  1     13.4540000              1.0000000        
S   1
  1     34.5810000              1.0000000        
S   1
  1     88.8800000              1.0000000        
P   1
  1     14.2300000              1.0000000        
P   1
  1     40.8620000              1.0000000        
P   1
  1    117.3390000              1.0000000        
D   1
  1     15.0000000              1.0000000        
D   1
  1     49.6100000              1.0000000        
F   1
  1     16.1680000              1.0000000


name: cc-pwCVQZ Tight
description: 3T Tight Functions
elt: Ne
data:
NEON
S   1
  1     16.9230000              1.0000000        
S   1
  1     42.9230000              1.0000000        
S   1
  1    108.8700000              1.0000000        
P   1
  1     17.7240000              1.0000000        
P   1
  1     50.2910000              1.0000000        
P   1
  1    142.7010000              1.0000000        
D   1
  1     19.1040000              1.0000000        
D   1
  1     61.5550000              1.0000000        
F   1
  1     20.8770000              1.0000000


name: cc-pwCVQZ Tight
description: 3T Tight Functions
elt: Al
data:
ALUMINUM
S   1
  1      1.7940000              1.0000000        
S   1
  1      3.9160000              1.0000000        
S   1
  1      8.5490000              1.0000000        
P   1
  1      2.0490000              1.0000000        
P   1
  1      4.4680000              1.0000000        
P   1
  1      9.7400000              1.0000000        
D   1
  1      1.3790000              1.0000000        
D   1
  1      3.8870000              1.0000000        
D   1
  1     10.9600000              1.0000000        
F   1
  1      1.4630000              1.0000000        
F   1
  1      6.8140000              1.0000000        
G   1
  1      1.6450000              1.0000000


name: cc-pwCVQZ Tight
description: 3T Tight Functions
elt: Si
data:
SILICON
S   1
  1      2.4200000              1.0000000        
S   1
  1      5.1220000              1.0000000        
S   1
  1     10.8420000              1.0000000        
P   1
  1      2.5620000              1.0000000        
P   1
  1      5.4680000              1.0000000        
P   1
  1     11.6700000              1.0000000        
D   1
  1      1.9700000              1.0000000        
D   1
  1      5.4720000              1.0000000        
D   1
  1     15.1950000              1.0000000        
F   1
  1      1.8570000              1.0000000        
F   1
  1      8.5370000              1.0000000        
G   1
  1      1.9340000              1.0000000


name: cc-pwCVQZ Tight
description: 3T Tight Functions
elt: P
data:
PHOSPHORUS
S   1
  1      3.1130000              1.0000000        
S   1
  1      6.4340000              1.0000000        
S   1
  1     13.2980000              1.0000000        
P   1
  1      3.1120000              1.0000000        
P   1
  1      6.6150000              1.0000000        
P   1
  1     14.0600000              1.0000000        
D   1
  1      2.5900000              1.0000000        
D   1
  1      7.1190000              1.0000000        
D   1
  1     19.5660000              1.0000000        
F   1
  1      2.3100000              1.0000000        
F   1
  1     10.5180000              1.0000000        
G   1
  1      2.3280000              1.0000000


name: cc-pwCVQZ Tight
description: 3T Tight Functions
elt: S
data:
SULFUR
S   1
  1      3.8070000              1.0000000        
S   1
  1      7.7800000              1.0000000        
S   1
  1     15.9010000              1.0000000        
P   1
  1      3.5220000              1.0000000        
P   1
  1      7.5390000              1.0000000        
P   1
  1     16.1390000              1.0000000        
D   1
  1      3.1160000              1.0000000        
D   1
  1      8.5240000              1.0000000        
D   1
  1     23.3230000              1.0000000        
F   1
  1      2.8010000              1.0000000        
F   1
  1     12.7030000              1.0000000        
G   1
  1      2.7390000              1.0000000


name: cc-pwCVQZ Tight
description: 3T Tight Functions
elt: Cl
data:
CHLORINE
S   1
  1      4.5700000              1.0000000        
S   1
  1      9.2770000              1.0000000        
S   1
  1     18.8310000              1.0000000        
P   1
  1      3.9320000              1.0000000        
P   1
  1      8.4920000              1.0000000        
P   1
  1     18.3380000              1.0000000        
D   1
  1      3.7990000              1.0000000        
D   1
  1     10.3120000              1.0000000        
D   1
  1     27.9910000              1.0000000        
F   1
  1      3.3890000              1.0000000        
F   1
  1     15.1880000              1.0000000        
G   1
  1      3.2390000              1.0000000


name: cc-pwCVQZ Tight
description: 3T Tight Functions
elt: Ar
data:
ARGON
S   1
  1      5.3860000              1.0000000        
S   1
  1     10.8670000              1.0000000        
S   1
  1     21.9260000              1.0000000        
P   1
  1      4.4110000              1.0000000        
P   1
  1      9.5560000              1.0000000        
P   1
  1     20.7020000              1.0000000        
D   1
  1      4.5300000              1.0000000        
D   1
  1     12.2150000              1.0000000        
D   1
  1     32.9330000              1.0000000        
F   1
  1      4.0300000              1.0000000        
F   1
  1     17.8740000              1.0000000        
G   1
  1      3.8160000              1.0000000


name: cc-pwCVQZ Tight
description: 3T Tight Functions
elt: Br
data:
BROMINE
S   1
  1      6.6640000              1.0000000        
S   1
  1     13.5630000              1.0000000        
S   1
  1     27.6050000              1.0000000        
P   1
  1      5.1200000              1.0000000        
P   1
  1     11.0680000              1.0000000        
P   1
  1     23.9280000              1.0000000        
D   1
  1      2.2930000              1.0000000        
D   1
  1      4.8040000              1.0000000        
D   1
  1     10.0650000              1.0000000        
F   1
  1      2.1130000              1.0000000        
F   1
  1      5.2890000              1.0000000        
F   1
  1     13.2410000              1.0000000        
G   1
  1      2.3320000              1.0000000        
G   1
  1      9.2410000              1.0000000        
H   1
  1      2.5630000              1.0000000        
$


name: cc-pwCVQZ
description: QZ3P Quadruple Zeta + Polarization + Tight Core
elt: B
data:
BORON
S   9
  1  23870.0000000              0.0000880        
  2   3575.0000000              0.0006870        
  3    812.8000000              0.0036000        
  4    229.7000000              0.0149490        
  5     74.6900000              0.0514350        
  6     26.8100000              0.1433020        
  7     10.3200000              0.3009350        
  8      4.1780000              0.4035260        
  9      1.7270000              0.2253400        
S   9
  1  23870.0000000             -0.0000180        
  2   3575.0000000             -0.0001390        
  3    812.8000000             -0.0007250        
  4    229.7000000             -0.0030630        
  5     74.6900000             -0.0105810        
  6     26.8100000             -0.0313650        
  7     10.3200000             -0.0710120        
  8      4.1780000             -0.1321030        
  9      1.7270000             -0.1230720        
S   1
  1      0.4704000              1.0000000        
S   1
  1      0.1896000              1.0000000        
S   1
  1      0.0739400              1.0000000        
S   1
  1      3.7680000              1.0000000        
S   1
  1     10.4140000              1.0000000        
S   1
  1     28.7880000              1.0000000        
P   3
  1     22.2600000              0.0050950        
  2      5.0580000              0.0332060        
  3      1.4870000              0.1323140        
P   1
  1      0.5071000              1.0000000        
P   1
  1      0.1812000              1.0000000        
P   1
  1      0.0646300              1.0000000        
P   1
  1      3.8470000              1.0000000        
P   1
  1     11.9250000              1.0000000        
P   1
  1     36.9710000              1.0000000        
D   1
  1      1.1100000              1.0000000        
D   1
  1      0.4020000              1.0000000        
D   1
  1      0.1450000              1.0000000        
D   1
  1      3.7180000              1.0000000        
D   1
  1     16.5740000              1.0000000        
F   1
  1      0.8820000              1.0000000        
F   1
  1      0.3110000              1.0000000        
F   1
  1      3.6920000              1.0000000        
G   1
  1      0.6730000              1.0000000


name: cc-pwCVQZ
description: QZ3P Quadruple Zeta + Polarization + Tight Core
elt: C
data:
CARBON
S   9
  1  33980.0000000              0.0000910        
  2   5089.0000000              0.0007040        
  3   1157.0000000              0.0036930        
  4    326.6000000              0.0153600        
  5    106.1000000              0.0529290        
  6     38.1100000              0.1470430        
  7     14.7500000              0.3056310        
  8      6.0350000              0.3993450        
  9      2.5300000              0.2170510        
S   9
  1  33980.0000000             -0.0000190        
  2   5089.0000000             -0.0001510        
  3   1157.0000000             -0.0007850        
  4    326.6000000             -0.0033240        
  5    106.1000000             -0.0115120        
  6     38.1100000             -0.0341600        
  7     14.7500000             -0.0771730        
  8      6.0350000             -0.1414930        
  9      2.5300000             -0.1180190        
S   1
  1      0.7355000              1.0000000        
S   1
  1      0.2905000              1.0000000        
S   1
  1      0.1111000              1.0000000        
S   1
  1      5.5840000              1.0000000        
S   1
  1     15.1090000              1.0000000        
S   1
  1     40.8810000              1.0000000        
P   3
  1     34.5100000              0.0053780        
  2      7.9150000              0.0361320        
  3      2.3680000              0.1424930        
P   1
  1      0.8132000              1.0000000        
P   1
  1      0.2890000              1.0000000        
P   1
  1      0.1007000              1.0000000        
P   1
  1      5.9960000              1.0000000        
P   1
  1     18.0570000              1.0000000        
P   1
  1     54.3820000              1.0000000        
D   1
  1      1.8480000              1.0000000        
D   1
  1      0.6490000              1.0000000        
D   1
  1      0.2280000              1.0000000        
D   1
  1      5.8880000              1.0000000        
D   1
  1     22.8040000              1.0000000        
F   1
  1      1.4190000              1.0000000        
F   1
  1      0.4850000              1.0000000        
F   1
  1      6.1160000              1.0000000        
G   1
  1      1.0110000              1.0000000


name: cc-pwCVQZ
description: QZ3P Quadruple Zeta + Polarization + Tight Core
elt: N
data:
NITROGEN
S   9
  1  45840.0000000              0.0000920        
  2   6868.0000000              0.0007170        
  3   1563.0000000              0.0037490        
  4    442.4000000              0.0155320        
  5    144.3000000              0.0531460        
  6     52.1800000              0.1467870        
  7     20.3400000              0.3046630        
  8      8.3810000              0.3976840        
  9      3.5290000              0.2176410        
S   9
  1  45840.0000000             -0.0000200        
  2   6868.0000000             -0.0001590        
  3   1563.0000000             -0.0008240        
  4    442.4000000             -0.0034780        
  5    144.3000000             -0.0119660        
  6     52.1800000             -0.0353880        
  7     20.3400000             -0.0800770        
  8      8.3810000             -0.1467220        
  9      3.5290000             -0.1163600        
S   1
  1      1.0540000              1.0000000        
S   1
  1      0.4118000              1.0000000        
S   1
  1      0.1552000              1.0000000        
S   1
  1      7.8290000              1.0000000        
S   1
  1     20.7350000              1.0000000        
S   1
  1     54.9170000              1.0000000        
P   3
  1     49.3300000              0.0055330        
  2     11.3700000              0.0379620        
  3      3.4350000              0.1490280        
P   1
  1      1.1820000              1.0000000        
P   1
  1      0.4173000              1.0000000        
P   1
  1      0.1428000              1.0000000        
P   1
  1      8.5540000              1.0000000        
P   1
  1     25.1900000              1.0000000        
P   1
  1     74.1850000              1.0000000        
D   1
  1      2.8370000              1.0000000        
D   1
  1      0.9680000              1.0000000        
D   1
  1      0.3350000              1.0000000        
D   1
  1      8.6930000              1.0000000        
D   1
  1     31.1670000              1.0000000        
F   1
  1      2.0270000              1.0000000        
F   1
  1      0.6850000              1.0000000        
F   1
  1      8.9720000              1.0000000        
G   1
  1      1.4270000              1.0000000


name: cc-pwCVQZ
description: QZ3P Quadruple Zeta + Polarization + Tight Core
elt: O
data:
OXYGEN
S   9
  1  61420.0000000              0.0000900        
  2   9199.0000000              0.0006980        
  3   2091.0000000              0.0036640        
  4    590.9000000              0.0152180        
  5    192.3000000              0.0524230        
  6     69.3200000              0.1459210        
  7     26.9700000              0.3052580        
  8     11.1000000              0.3985080        
  9      4.6820000              0.2169800        
S   9
  1  61420.0000000             -0.0000200        
  2   9199.0000000             -0.0001590        
  3   2091.0000000             -0.0008290        
  4    590.9000000             -0.0035080        
  5    192.3000000             -0.0121560        
  6     69.3200000             -0.0362610        
  7     26.9700000             -0.0829920        
  8     11.1000000             -0.1520900        
  9      4.6820000             -0.1153310        
S   1
  1      1.4280000              1.0000000        
S   1
  1      0.5547000              1.0000000        
S   1
  1      0.2067000              1.0000000        
S   1
  1     10.4780000              1.0000000        
S   1
  1     27.3140000              1.0000000        
S   1
  1     71.2060000              1.0000000        
P   3
  1     63.4200000              0.0060440        
  2     14.6600000              0.0417990        
  3      4.4590000              0.1611430        
P   1
  1      1.5310000              1.0000000        
P   1
  1      0.5302000              1.0000000        
P   1
  1      0.1750000              1.0000000        
P   1
  1     11.1610000              1.0000000        
P   1
  1     32.4590000              1.0000000        
P   1
  1     94.3980000              1.0000000        
D   1
  1      3.7750000              1.0000000        
D   1
  1      1.3000000              1.0000000        
D   1
  1      0.4440000              1.0000000        
D   1
  1     11.4690000              1.0000000        
D   1
  1     39.2390000              1.0000000        
F   1
  1      2.6660000              1.0000000        
F   1
  1      0.8590000              1.0000000        
F   1
  1     12.1630000              1.0000000        
G   1
  1      1.8460000              1.0000000


name: cc-pwCVQZ
description: QZ3P Quadruple Zeta + Polarization + Tight Core
elt: F
data:
FLUORINE
S   9
  1  74530.0000000              0.0000950        
  2  11170.0000000              0.0007380        
  3   2543.0000000              0.0038580        
  4    721.0000000              0.0159260        
  5    235.9000000              0.0542890        
  6     85.6000000              0.1495130        
  7     33.5500000              0.3082520        
  8     13.9300000              0.3948530        
  9      5.9150000              0.2110310        
S   9
  1  74530.0000000             -0.0000220        
  2  11170.0000000             -0.0001720        
  3   2543.0000000             -0.0008910        
  4    721.0000000             -0.0037480        
  5    235.9000000             -0.0128620        
  6     85.6000000             -0.0380610        
  7     33.5500000             -0.0862390        
  8     13.9300000             -0.1558650        
  9      5.9150000             -0.1109140        
S   1
  1      1.8430000              1.0000000        
S   1
  1      0.7124000              1.0000000        
S   1
  1      0.2637000              1.0000000        
S   1
  1     13.4540000              1.0000000        
S   1
  1     34.5810000              1.0000000        
S   1
  1     88.8800000              1.0000000        
P   3
  1     80.3900000              0.0063470        
  2     18.6300000              0.0442040        
  3      5.6940000              0.1685140        
P   1
  1      1.9530000              1.0000000        
P   1
  1      0.6702000              1.0000000        
P   1
  1      0.2166000              1.0000000        
P   1
  1     14.2300000              1.0000000        
P   1
  1     40.8620000              1.0000000        
P   1
  1    117.3390000              1.0000000        
D   1
  1      5.0140000              1.0000000        
D   1
  1      1.7250000              1.0000000        
D   1
  1      0.5860000              1.0000000        
D   1
  1     15.0000000              1.0000000        
D   1
  1     49.6100000              1.0000000        
F   1
  1      3.5620000              1.0000000        
F   1
  1      1.1480000              1.0000000        
F   1
  1     16.1680000              1.0000000        
G   1
  1      2.3760000              1.0000000


name: cc-pwCVQZ
description: QZ3P Quadruple Zeta + Polarization + Tight Core
elt: Ne
data:
NEON
S   9
  1  99920.0000000              0.0000860        
  2  14960.0000000              0.0006690        
  3   3399.0000000              0.0035180        
  4    958.9000000              0.0146670        
  5    311.2000000              0.0509620        
  6    111.7000000              0.1437440        
  7     43.3200000              0.3045620        
  8     17.8000000              0.4001050        
  9      7.5030000              0.2186440        
S   9
  1  99920.0000000             -0.0000200        
  2  14960.0000000             -0.0001580        
  3   3399.0000000             -0.0008240        
  4    958.9000000             -0.0035000        
  5    311.2000000             -0.0122330        
  6    111.7000000             -0.0370170        
  7     43.3200000             -0.0861130        
  8     17.8000000             -0.1583810        
  9      7.5030000             -0.1142880        
S   1
  1      2.3370000              1.0000000        
S   1
  1      0.9001000              1.0000000        
S   1
  1      0.3301000              1.0000000        
S   1
  1     16.9230000              1.0000000        
S   1
  1     42.9230000              1.0000000        
S   1
  1    108.8700000              1.0000000        
P   3
  1     99.6800000              0.0065660        
  2     23.1500000              0.0459790        
  3      7.1080000              0.1734190        
P   1
  1      2.4410000              1.0000000        
P   1
  1      0.8339000              1.0000000        
P   1
  1      0.2662000              1.0000000        
P   1
  1     17.7240000              1.0000000        
P   1
  1     50.2910000              1.0000000        
P   1
  1    142.7010000              1.0000000        
D   1
  1      6.4710000              1.0000000        
D   1
  1      2.2130000              1.0000000        
D   1
  1      0.7470000              1.0000000        
D   1
  1     19.1040000              1.0000000        
D   1
  1     61.5550000              1.0000000        
F   1
  1      4.6570000              1.0000000        
F   1
  1      1.5240000              1.0000000        
F   1
  1     20.8770000              1.0000000        
G   1
  1      2.9830000              1.0000000


name: cc-pwCVQZ
description: QZ3P Quadruple Zeta + Polarization + Tight Core
elt: Al
data:
ALUMINUM
S   13
  1 419600.0000000              0.278219D-04     
  2  62830.0000000              0.216330D-03     
  3  14290.0000000              0.113754D-02     
  4   4038.0000000              0.479635D-02     
  5   1312.0000000              0.172389D-01     
  6    470.5000000              0.538066D-01     
  7    181.8000000              0.141326D+00     
  8     74.4600000              0.289268D+00     
  9     31.9000000              0.384825D+00     
 10     13.9600000              0.232852D+00     
 11      5.1800000              0.293330D-01     
 12      2.2650000             -0.300574D-02     
 13      0.9664000              0.166673D-02     
S   13
  1 419600.0000000             -0.723754D-05     
  2  62830.0000000             -0.561733D-04     
  3  14290.0000000             -0.296528D-03     
  4   4038.0000000             -0.124913D-02     
  5   1312.0000000             -0.455101D-02     
  6    470.5000000             -0.144393D-01     
  7    181.8000000             -0.403464D-01     
  8     74.4600000             -0.922618D-01     
  9     31.9000000             -0.164510D+00     
 10     13.9600000             -0.141296D+00     
 11      5.1800000              0.195365D+00     
 12      2.2650000              0.572475D+00     
 13      0.9664000              0.374041D+00     
S   13
  1 419600.0000000              0.167150D-05     
  2  62830.0000000              0.129641D-04     
  3  14290.0000000              0.685101D-04     
  4   4038.0000000              0.288274D-03     
  5   1312.0000000              0.105276D-02     
  6    470.5000000              0.333878D-02     
  7    181.8000000              0.939217D-02     
  8     74.4600000              0.216047D-01     
  9     31.9000000              0.395873D-01     
 10     13.9600000              0.349180D-01     
 11      5.1800000             -0.528415D-01     
 12      2.2650000             -0.191878D+00     
 13      0.9664000             -0.254115D+00     
S   1
  1      0.2447000              1.0000000        
S   1
  1      0.1184000              1.0000000        
S   1
  1      0.0502100              1.0000000        
S   1
  1      1.7940000              1.0000000        
S   1
  1      3.9160000              1.0000000        
S   1
  1      8.5490000              1.0000000        
P   8
  1    891.3000000              0.491755D-03     
  2    211.3000000              0.415843D-02     
  3     68.2800000              0.212538D-01     
  4     25.7000000              0.764058D-01     
  5     10.6300000              0.194277D+00     
  6      4.6020000              0.334428D+00     
  7      2.0150000              0.375026D+00     
  8      0.8706000              0.204041D+00     
P   8
  1    891.3000000             -0.888695D-04     
  2    211.3000000             -0.745823D-03     
  3     68.2800000             -0.387025D-02     
  4     25.7000000             -0.139350D-01     
  5     10.6300000             -0.366860D-01     
  6      4.6020000             -0.627797D-01     
  7      2.0150000             -0.789602D-01     
  8      0.8706000             -0.288589D-01     
P   1
  1      0.2972000              1.0000000        
P   1
  1      0.1100000              1.0000000        
P   1
  1      0.0398900              1.0000000        
P   1
  1      2.0490000              1.0000000        
P   1
  1      4.4680000              1.0000000        
P   1
  1      9.7400000              1.0000000        
D   1
  1      0.0804000              1.0000000        
D   1
  1      0.1990000              1.0000000        
D   1
  1      0.4940000              1.0000000        
D   1
  1      1.3790000              1.0000000        
D   1
  1      3.8870000              1.0000000        
D   1
  1     10.9600000              1.0000000        
F   1
  1      0.1540000              1.0000000        
F   1
  1      0.4010000              1.0000000        
F   1
  1      1.4630000              1.0000000        
F   1
  1      6.8140000              1.0000000        
G   1
  1      0.3570000              1.0000000        
G   1
  1      1.6450000              1.0000000


name: cc-pwCVQZ
description: QZ3P Quadruple Zeta + Polarization + Tight Core
elt: Si
data:
SILICON
S   13
  1 513000.0000000              0.260920D-04     
  2  76820.0000000              0.202905D-03     
  3  17470.0000000              0.106715D-02     
  4   4935.0000000              0.450597D-02     
  5   1602.0000000              0.162359D-01     
  6    574.1000000              0.508913D-01     
  7    221.5000000              0.135155D+00     
  8     90.5400000              0.281292D+00     
  9     38.7400000              0.385336D+00     
 10     16.9500000              0.245651D+00     
 11      6.4520000              0.343145D-01     
 12      2.8740000             -0.334884D-02     
 13      1.2500000              0.187625D-02     
S   13
  1 513000.0000000             -0.694880D-05     
  2  76820.0000000             -0.539641D-04     
  3  17470.0000000             -0.284716D-03     
  4   4935.0000000             -0.120203D-02     
  5   1602.0000000             -0.438397D-02     
  6    574.1000000             -0.139776D-01     
  7    221.5000000             -0.393516D-01     
  8     90.5400000             -0.914283D-01     
  9     38.7400000             -0.165609D+00     
 10     16.9500000             -0.152505D+00     
 11      6.4520000              0.168524D+00     
 12      2.8740000              0.569284D+00     
 13      1.2500000              0.398056D+00     
S   13
  1 513000.0000000              0.178068D-05     
  2  76820.0000000              0.138148D-04     
  3  17470.0000000              0.730005D-04     
  4   4935.0000000              0.307666D-03     
  5   1602.0000000              0.112563D-02     
  6    574.1000000              0.358435D-02     
  7    221.5000000              0.101728D-01     
  8     90.5400000              0.237520D-01     
  9     38.7400000              0.443483D-01     
 10     16.9500000              0.419041D-01     
 11      6.4520000             -0.502504D-01     
 12      2.8740000             -0.216578D+00     
 13      1.2500000             -0.286448D+00     
S   1
  1      0.3599000              1.0000000        
S   1
  1      0.1699000              1.0000000        
S   1
  1      0.0706600              1.0000000        
S   1
  1      2.4200000              1.0000000        
S   1
  1      5.1220000              1.0000000        
S   1
  1     10.8420000              1.0000000        
P   8
  1   1122.0000000              0.448143D-03     
  2    266.0000000              0.381639D-02     
  3     85.9200000              0.198105D-01     
  4     32.3300000              0.727017D-01     
  5     13.3700000              0.189839D+00     
  6      5.8000000              0.335672D+00     
  7      2.5590000              0.379365D+00     
  8      1.1240000              0.201193D+00     
P   8
  1   1122.0000000             -0.964883D-04     
  2    266.0000000             -0.811971D-03     
  3     85.9200000             -0.430087D-02     
  4     32.3300000             -0.157502D-01     
  5     13.3700000             -0.429541D-01     
  6      5.8000000             -0.752574D-01     
  7      2.5590000             -0.971446D-01     
  8      1.1240000             -0.227507D-01     
P   1
  1      0.3988000              1.0000000        
P   1
  1      0.1533000              1.0000000        
P   1
  1      0.0572800              1.0000000        
P   1
  1      2.5620000              1.0000000        
P   1
  1      5.4680000              1.0000000        
P   1
  1     11.6700000              1.0000000        
D   1
  1      0.1200000              1.0000000        
D   1
  1      0.3020000              1.0000000        
D   1
  1      0.7600000              1.0000000        
D   1
  1      1.9700000              1.0000000        
D   1
  1      5.4720000              1.0000000        
D   1
  1     15.1950000              1.0000000        
F   1
  1      0.2120000              1.0000000        
F   1
  1      0.5410000              1.0000000        
F   1
  1      1.8570000              1.0000000        
F   1
  1      8.5370000              1.0000000        
G   1
  1      0.4610000              1.0000000        
G   1
  1      1.9340000              1.0000000


name: cc-pwCVQZ
description: QZ3P Quadruple Zeta + Polarization + Tight Core
elt: P
data:
PHOSPHORUS
S   13
  1 615200.0000000              0.247450D-04     
  2  92120.0000000              0.192465D-03     
  3  20950.0000000              0.101202D-02     
  4   5920.0000000              0.427261D-02     
  5   1922.0000000              0.154161D-01     
  6    688.0000000              0.485976D-01     
  7    265.0000000              0.130060D+00     
  8    108.2000000              0.274514D+00     
  9     46.2200000              0.385402D+00     
 10     20.2300000              0.255934D+00     
 11      7.8590000              0.391237D-01     
 12      3.5470000             -0.368010D-02     
 13      1.5640000              0.208211D-02     
S   13
  1 615200.0000000             -0.672205D-05     
  2  92120.0000000             -0.522311D-04     
  3  20950.0000000             -0.275361D-03     
  4   5920.0000000             -0.116307D-02     
  5   1922.0000000             -0.424281D-02     
  6    688.0000000             -0.136114D-01     
  7    265.0000000             -0.385114D-01     
  8    108.2000000             -0.906643D-01     
  9     46.2200000             -0.166584D+00     
 10     20.2300000             -0.161447D+00     
 11      7.8590000              0.146781D+00     
 12      3.5470000              0.566682D+00     
 13      1.5640000              0.416433D+00     
S   13
  1 615200.0000000              0.184740D-05     
  2  92120.0000000              0.143380D-04     
  3  20950.0000000              0.757228D-04     
  4   5920.0000000              0.319205D-03     
  5   1922.0000000              0.116851D-02     
  6    688.0000000              0.374267D-02     
  7    265.0000000              0.106817D-01     
  8    108.2000000              0.252657D-01     
  9     46.2200000              0.479283D-01     
 10     20.2300000              0.477096D-01     
 11      7.8590000             -0.466525D-01     
 12      3.5470000             -0.234968D+00     
 13      1.5640000             -0.311337D+00     
S   1
  1      0.4888000              1.0000000        
S   1
  1      0.2266000              1.0000000        
S   1
  1      0.0933100              1.0000000        
S   1
  1      3.1130000              1.0000000        
S   1
  1      6.4340000              1.0000000        
S   1
  1     13.2980000              1.0000000        
P   8
  1   1367.0000000              0.421015D-03     
  2    324.0000000              0.360985D-02     
  3    104.6000000              0.189217D-01     
  4     39.3700000              0.705560D-01     
  5     16.2600000              0.188157D+00     
  6      7.0560000              0.338709D+00     
  7      3.1300000              0.381943D+00     
  8      1.3940000              0.195261D+00     
P   8
  1   1367.0000000             -0.100827D-03     
  2    324.0000000             -0.854499D-03     
  3    104.6000000             -0.457116D-02     
  4     39.3700000             -0.170327D-01     
  5     16.2600000             -0.475204D-01     
  6      7.0560000             -0.852786D-01     
  7      3.1300000             -0.109676D+00     
  8      1.3940000             -0.161181D-01     
P   1
  1      0.5179000              1.0000000        
P   1
  1      0.2032000              1.0000000        
P   1
  1      0.0769800              1.0000000        
P   1
  1      3.1120000              1.0000000        
P   1
  1      6.6150000              1.0000000        
P   1
  1     14.0600000              1.0000000        
D   1
  1      0.1650000              1.0000000        
D   1
  1      0.4130000              1.0000000        
D   1
  1      1.0360000              1.0000000        
D   1
  1      2.5900000              1.0000000        
D   1
  1      7.1190000              1.0000000        
D   1
  1     19.5660000              1.0000000        
F   1
  1      0.2800000              1.0000000        
F   1
  1      0.7030000              1.0000000        
F   1
  1      2.3100000              1.0000000        
F   1
  1     10.5180000              1.0000000        
G   1
  1      0.5970000              1.0000000        
G   1
  1      2.3280000              1.0000000


name: cc-pwCVQZ
description: QZ3P Quadruple Zeta + Polarization + Tight Core
elt: S
data:
SULFUR
S   13
  1 727800.0000000              0.236025D-04     
  2 109000.0000000              0.183482D-03     
  3  24800.0000000              0.964278D-03     
  4   7014.0000000              0.406537D-02     
  5   2278.0000000              0.146973D-01     
  6    814.7000000              0.465081D-01     
  7    313.4000000              0.125508D+00     
  8    127.7000000              0.268433D+00     
  9     54.4800000              0.384809D+00     
 10     23.8500000              0.265372D+00     
 11      9.4280000              0.437326D-01     
 12      4.2900000             -0.378807D-02     
 13      1.9090000              0.218083D-02     
S   13
  1 727800.0000000             -0.652179D-05     
  2 109000.0000000             -0.506631D-04     
  3  24800.0000000             -0.266833D-03     
  4   7014.0000000             -0.112601D-02     
  5   2278.0000000             -0.411186D-02     
  6    814.7000000             -0.132454D-01     
  7    313.4000000             -0.377004D-01     
  8    127.7000000             -0.898554D-01     
  9     54.4800000             -0.167098D+00     
 10     23.8500000             -0.169354D+00     
 11      9.4280000              0.127824D+00     
 12      4.2900000              0.564862D+00     
 13      1.9090000              0.431767D+00     
S   13
  1 727800.0000000              0.189406D-05     
  2 109000.0000000              0.146948D-04     
  3  24800.0000000              0.775460D-04     
  4   7014.0000000              0.326509D-03     
  5   2278.0000000              0.119686D-02     
  6    814.7000000              0.384799D-02     
  7    313.4000000              0.110539D-01     
  8    127.7000000              0.264645D-01     
  9     54.4800000              0.508771D-01     
 10     23.8500000              0.530030D-01     
 11      9.4280000             -0.425518D-01     
 12      4.2900000             -0.250853D+00     
 13      1.9090000             -0.333152D+00     
S   1
  1      0.6270000              1.0000000        
S   1
  1      0.2873000              1.0000000        
S   1
  1      0.1172000              1.0000000        
S   1
  1      3.8070000              1.0000000        
S   1
  1      7.7800000              1.0000000        
S   1
  1     15.9010000              1.0000000        
P   8
  1   1546.0000000              0.441183D-03     
  2    366.4000000              0.377571D-02     
  3    118.4000000              0.198360D-01     
  4     44.5300000              0.742063D-01     
  5     18.3800000              0.197327D+00     
  6      7.9650000              0.351851D+00     
  7      3.5410000              0.378687D+00     
  8      1.5910000              0.170931D+00     
P   8
  1   1546.0000000             -0.113110D-03     
  2    366.4000000             -0.958581D-03     
  3    118.4000000             -0.513471D-02     
  4     44.5300000             -0.192641D-01     
  5     18.3800000             -0.535980D-01     
  6      7.9650000             -0.960333D-01     
  7      3.5410000             -0.118183D+00     
  8      1.5910000              0.923194D-02     
P   1
  1      0.6205000              1.0000000        
P   1
  1      0.2420000              1.0000000        
P   1
  1      0.0901400              1.0000000        
P   1
  1      3.5220000              1.0000000        
P   1
  1      7.5390000              1.0000000        
P   1
  1     16.1390000              1.0000000        
D   1
  1      0.2030000              1.0000000        
D   1
  1      0.5040000              1.0000000        
D   1
  1      1.2500000              1.0000000        
D   1
  1      3.1160000              1.0000000        
D   1
  1      8.5240000              1.0000000        
D   1
  1     23.3230000              1.0000000        
F   1
  1      0.3350000              1.0000000        
F   1
  1      0.8690000              1.0000000        
F   1
  1      2.8010000              1.0000000        
F   1
  1     12.7030000              1.0000000        
G   1
  1      0.6830000              1.0000000        
G   1
  1      2.7390000              1.0000000


name: cc-pwCVQZ
description: QZ3P Quadruple Zeta + Polarization + Tight Core
elt: Cl
data:
CHLORINE
S   13
  1 834900.0000000              0.231688D-04     
  2 125000.0000000              0.180154D-03     
  3  28430.0000000              0.947782D-03     
  4   8033.0000000              0.400139D-02     
  5   2608.0000000              0.144629D-01     
  6    933.9000000              0.456586D-01     
  7    360.0000000              0.123248D+00     
  8    147.0000000              0.264369D+00     
  9     62.8800000              0.382989D+00     
 10     27.6000000              0.270934D+00     
 11     11.0800000              0.471404D-01     
 12      5.0750000             -0.371766D-02     
 13      2.2780000              0.219158D-02     
S   13
  1 834900.0000000             -0.649649D-05     
  2 125000.0000000             -0.504895D-04     
  3  28430.0000000             -0.266113D-03     
  4   8033.0000000             -0.112499D-02     
  5   2608.0000000             -0.410497D-02     
  6    933.9000000             -0.131987D-01     
  7    360.0000000             -0.375342D-01     
  8    147.0000000             -0.897233D-01     
  9     62.8800000             -0.167671D+00     
 10     27.6000000             -0.174763D+00     
 11     11.0800000              0.114909D+00     
 12      5.0750000              0.563618D+00     
 13      2.2780000              0.441606D+00     
S   13
  1 834900.0000000              0.196645D-05     
  2 125000.0000000              0.152620D-04     
  3  28430.0000000              0.806086D-04     
  4   8033.0000000              0.339960D-03     
  5   2608.0000000              0.124551D-02     
  6    933.9000000              0.399612D-02     
  7    360.0000000              0.114751D-01     
  8    147.0000000              0.275504D-01     
  9     62.8800000              0.532917D-01     
 10     27.6000000              0.571246D-01     
 11     11.0800000             -0.395201D-01     
 12      5.0750000             -0.264343D+00     
 13      2.2780000             -0.349291D+00     
S   1
  1      0.7775000              1.0000000        
S   1
  1      0.3527000              1.0000000        
S   1
  1      0.1431000              1.0000000        
S   1
  1      4.5700000              1.0000000        
S   1
  1      9.2770000              1.0000000        
S   1
  1     18.8310000              1.0000000        
P   8
  1   1703.0000000              0.474039D-03     
  2    403.6000000              0.406412D-02     
  3    130.3000000              0.213355D-01     
  4     49.0500000              0.794611D-01     
  5     20.2600000              0.208927D+00     
  6      8.7870000              0.364945D+00     
  7      3.9190000              0.371725D+00     
  8      1.7650000              0.146292D+00     
P   8
  1   1703.0000000             -0.128266D-03     
  2    403.6000000             -0.109356D-02     
  3    130.3000000             -0.583429D-02     
  4     49.0500000             -0.219258D-01     
  5     20.2600000             -0.601385D-01     
  6      8.7870000             -0.106929D+00     
  7      3.9190000             -0.122454D+00     
  8      1.7650000              0.383619D-01     
P   1
  1      0.7207000              1.0000000        
P   1
  1      0.2839000              1.0000000        
P   1
  1      0.1060000              1.0000000        
P   1
  1      3.9320000              1.0000000        
P   1
  1      8.4920000              1.0000000        
P   1
  1     18.3380000              1.0000000        
D   1
  1      0.2540000              1.0000000        
D   1
  1      0.6280000              1.0000000        
D   1
  1      1.5510000              1.0000000        
D   1
  1      3.7990000              1.0000000        
D   1
  1     10.3120000              1.0000000        
D   1
  1     27.9910000              1.0000000        
F   1
  1      0.4230000              1.0000000        
F   1
  1      1.0890000              1.0000000        
F   1
  1      3.3890000              1.0000000        
F   1
  1     15.1880000              1.0000000        
G   1
  1      0.8270000              1.0000000        
G   1
  1      3.2390000              1.0000000


name: cc-pwCVQZ
description: QZ3P Quadruple Zeta + Polarization + Tight Core
elt: Ar
data:
ARGON
S   13
  1 950600.0000000              0.227545D-04     
  2 142300.0000000              0.176945D-03     
  3  32360.0000000              0.931282D-03     
  4   9145.0000000              0.392860D-02     
  5   2970.0000000              0.142064D-01     
  6   1064.0000000              0.448114D-01     
  7    410.8000000              0.121001D+00     
  8    168.0000000              0.260579D+00     
  9     71.9900000              0.381364D+00     
 10     31.6700000              0.276058D+00     
 11     12.8900000              0.505179D-01     
 12      5.9290000             -0.359866D-02     
 13      2.6780000              0.218798D-02     
S   13
  1 950600.0000000             -0.646201D-05     
  2 142300.0000000             -0.502346D-04     
  3  32360.0000000             -0.264804D-03     
  4   9145.0000000             -0.111895D-02     
  5   2970.0000000             -0.408276D-02     
  6   1064.0000000             -0.131216D-01     
  7    410.8000000             -0.372855D-01     
  8    168.0000000             -0.894709D-01     
  9     71.9900000             -0.168054D+00     
 10     31.6700000             -0.179594D+00     
 11     12.8900000              0.102953D+00     
 12      5.9290000              0.562630D+00     
 13      2.6780000              0.450355D+00     
S   13
  1 950600.0000000              0.202056D-05     
  2 142300.0000000              0.156851D-04     
  3  32360.0000000              0.828617D-04     
  4   9145.0000000              0.349264D-03     
  5   2970.0000000              0.127976D-02     
  6   1064.0000000              0.410365D-02     
  7    410.8000000              0.117789D-01     
  8    168.0000000              0.283868D-01     
  9     71.9900000              0.552406D-01     
 10     31.6700000              0.607492D-01     
 11     12.8900000             -0.362012D-01     
 12      5.9290000             -0.275398D+00     
 13      2.6780000             -0.362845D+00     
S   1
  1      0.9416000              1.0000000        
S   1
  1      0.4239000              1.0000000        
S   1
  1      0.1714000              1.0000000        
S   1
  1      5.3860000              1.0000000        
S   1
  1     10.8670000              1.0000000        
S   1
  1     21.9260000              1.0000000        
P   8
  1   1890.0000000              0.495752D-03     
  2    447.8000000              0.425172D-02     
  3    144.6000000              0.223277D-01     
  4     54.4600000              0.830878D-01     
  5     22.5100000              0.217110D+00     
  6      9.7740000              0.374507D+00     
  7      4.3680000              0.366445D+00     
  8      1.9590000              0.129245D+00     
P   8
  1   1890.0000000             -0.138863D-03     
  2    447.8000000             -0.118870D-02     
  3    144.6000000             -0.632553D-02     
  4     54.4600000             -0.238813D-01     
  5     22.5100000             -0.649238D-01     
  6      9.7740000             -0.115444D+00     
  7      4.3680000             -0.123651D+00     
  8      1.9590000              0.649055D-01     
P   1
  1      0.8260000              1.0000000        
P   1
  1      0.3297000              1.0000000        
P   1
  1      0.1242000              1.0000000        
P   1
  1      4.4110000              1.0000000        
P   1
  1      9.5560000              1.0000000        
P   1
  1     20.7020000              1.0000000        
D   1
  1      0.3110000              1.0000000        
D   1
  1      0.7630000              1.0000000        
D   1
  1      1.8730000              1.0000000        
D   1
  1      4.5300000              1.0000000        
D   1
  1     12.2150000              1.0000000        
D   1
  1     32.9330000              1.0000000        
F   1
  1      0.5430000              1.0000000        
F   1
  1      1.3250000              1.0000000        
F   1
  1      4.0300000              1.0000000        
F   1
  1     17.8740000              1.0000000        
G   1
  1      1.0070000              1.0000000        
G   1
  1      3.8160000              1.0000000


name: cc-pwCVQZ
description: QZ3P Quadruple Zeta + Polarization + Tight Core
elt: Br
data:
BROMINE
S   18
  1 16475000.0000000            0.0000034        
  2 2466600.0000000             0.0000267        
  3 561310.0000000              0.0001404        
  4 158990.0000000              0.0005927        
  5  51869.0000000              0.0021561        
  6  18726.0000000              0.0069959        
  7   7303.6000000              0.0205645        
  8   3029.1000000              0.0545893        
  9   1320.8000000              0.1275226        
 10    600.0300000              0.2459780        
 11    281.9000000              0.3436508        
 12    135.5400000              0.2702530        
 13     64.8700000              0.0744795        
 14     32.1290000              0.0008787        
 15     16.0370000              0.0015755        
 16      7.7849000             -0.0007602        
 17      3.7247000              0.0003211        
 18      1.7583000             -0.0001586        
S   18
  1 16475000.0000000           -0.0000011        
  2 2466600.0000000            -0.0000084        
  3 561310.0000000             -0.0000441        
  4 158990.0000000             -0.0001862        
  5  51869.0000000             -0.0006783        
  6  18726.0000000             -0.0022122        
  7   7303.6000000             -0.0065752        
  8   3029.1000000             -0.0179328        
  9   1320.8000000             -0.0443321        
 10    600.0300000             -0.0963478        
 11    281.9000000             -0.1696814        
 12    135.5400000             -0.1920769        
 13     64.8700000              0.0208731        
 14     32.1290000              0.4744996        
 15     16.0370000              0.5214907        
 16      7.7849000              0.1348001        
 17      3.7247000              0.0036614        
 18      1.7583000              0.0018840        
S   18
  1 16475000.0000000            0.0000004        
  2 2466600.0000000             0.0000033        
  3 561310.0000000              0.0000175        
  4 158990.0000000              0.0000740        
  5  51869.0000000              0.0002697        
  6  18726.0000000              0.0008799        
  7   7303.6000000              0.0026198        
  8   3029.1000000              0.0071671        
  9   1320.8000000              0.0178561        
 10    600.0300000              0.0393960        
 11    281.9000000              0.0717102        
 12    135.5400000              0.0858877        
 13     64.8700000             -0.0103861        
 14     32.1290000             -0.3040135        
 15     16.0370000             -0.4933178        
 16      7.7849000              0.0160890        
 17      3.7247000              0.7146686        
 18      1.7583000              0.4904795        
S   18
  1 16475000.0000000           -0.0000001        
  2 2466600.0000000            -0.0000010        
  3 561310.0000000             -0.0000054        
  4 158990.0000000             -0.0000227        
  5  51869.0000000             -0.0000827        
  6  18726.0000000             -0.0002694        
  7   7303.6000000             -0.0008042        
  8   3029.1000000             -0.0021949        
  9   1320.8000000             -0.0054939        
 10    600.0300000             -0.0120960        
 11    281.9000000             -0.0222623        
 12    135.5400000             -0.0266063        
 13     64.8700000              0.0027580        
 14     32.1290000              0.1016803        
 15     16.0370000              0.1704132        
 16      7.7849000             -0.0062220        
 17      3.7247000             -0.3452570        
 18      1.7583000             -0.4234840        
S   1
  1      0.5833100              1.0000000        
S   1
  1      0.2785600              1.0000000        
S   1
  1      0.1182900              1.0000000        
S   1
  1      6.6640000              1.0000000        
S   1
  1     13.5630000              1.0000000        
S   1
  1     27.6050000              1.0000000        
P   13
  1  26607.0000000              0.0000619        
  2   6298.2000000              0.0005499        
  3   2045.2000000              0.0031620        
  4    782.1600000              0.0137979        
  5    331.6300000              0.0479812        
  6    151.1100000              0.1315710        
  7     72.3920000              0.2685861        
  8     35.8620000              0.3683473        
  9     18.1340000              0.2711363        
 10      9.0430000              0.0762222        
 11      4.4500000              0.0046749        
 12      2.1661000              0.0012565        
 13      0.9962800             -0.0002357        
P   13
  1  26607.0000000             -0.0000248        
  2   6298.2000000             -0.0002212        
  3   2045.2000000             -0.0012736        
  4    782.1600000             -0.0056179        
  5    331.6300000             -0.0198600        
  6    151.1100000             -0.0565531        
  7     72.3920000             -0.1209479        
  8     35.8620000             -0.1773098        
  9     18.1340000             -0.0921472        
 10      9.0430000              0.2187683        
 11      4.4500000              0.4854670        
 12      2.1661000              0.3721970        
 13      0.9962800              0.0776907        
P   13
  1  26607.0000000              0.0000064        
  2   6298.2000000              0.0000572        
  3   2045.2000000              0.0003297        
  4    782.1600000              0.0014562        
  5    331.6300000              0.0051591        
  6    151.1100000              0.0147617        
  7     72.3920000              0.0317694        
  8     35.8620000              0.0470680        
  9     18.1340000              0.0223871        
 10      9.0430000             -0.0720254        
 11      4.4500000             -0.1626429        
 12      2.1661000             -0.1496503        
 13      0.9962800              0.1064517        
P   1
  1      0.4544300              1.0000000        
P   1
  1      0.1940400              1.0000000        
P   1
  1      0.0789970              1.0000000        
P   1
  1      5.1200000              1.0000000        
P   1
  1     11.0680000              1.0000000        
P   1
  1     23.9280000              1.0000000        
D   9
  1   1289.6000000              0.0001190        
  2    389.7500000              0.0011551        
  3    151.7600000              0.0067648        
  4     67.2230000              0.0273017        
  5     31.9130000              0.0809298        
  6     15.8570000              0.1794011        
  7      8.0545000              0.2840086        
  8      4.0887000              0.3266797        
  9      2.0556000              0.2584900        
D   1
  1      0.9950900              1.0000000        
D   1
  1      0.4231300              1.0000000        
D   1
  1      0.1779000              1.0000000        
D   1
  1      2.2930000              1.0000000        
D   1
  1      4.8040000              1.0000000        
D   1
  1     10.0650000              1.0000000        
F   1
  1      0.3407000              1.0000000        
F   1
  1      0.8257000              1.0000000        
F   1
  1      2.1130000              1.0000000        
F   1
  1      5.2890000              1.0000000        
F   1
  1     13.2410000              1.0000000        
G   1
  1      0.6491000              1.0000000        
G   1
  1      2.3320000              1.0000000        
G   1
  1      9.2410000              1.0000000        
H   1
  1      2.5630000              1.0000000        
$


name: cc-pwCVDZ-PP
description: N/A
elt: Y
data:
YTTRIUM
S   7
  1     29.2935000              0.0066660        
  2     16.6827000             -0.0497340        
  3     10.4235000              0.1315590        
  4      3.0952600             -0.5243820        
  5      0.7079710              0.7863790        
  6      0.3225670              0.4639580        
  7      0.0690850              0.0204860        
S   7
  1     29.2935000             -0.0013580        
  2     16.6827000              0.0123920        
  3     10.4235000             -0.0375720        
  4      3.0952600              0.1741090        
  5      0.7079710             -0.3385090        
  6      0.3225670             -0.3354170        
  7      0.0690850              0.6581470        
S   7
  1     29.2935000              0.0112420        
  2     16.6827000             -0.0574010        
  3     10.4235000              0.1106480        
  4      3.0952600             -0.3769430        
  5      0.7079710              1.2026360        
  6      0.3225670             -0.4875820        
  7      0.0690850             -1.8636390        
S   1
  1      0.0274150              1.0000000        
S   1
  1      0.2984000              1.0000000        
P   6
  1      9.0271500              0.0203960        
  2      4.0242700             -0.1536620        
  3      0.9906740              0.4320820        
  4      0.4727970              0.4983480        
  5      0.2197340              0.1957420        
  6      0.0800880              0.0140830        
P   6
  1      9.0271500             -0.0056190        
  2      4.0242700              0.0465110        
  3      0.9906740             -0.1495270        
  4      0.4727970             -0.2243370        
  5      0.2197340             -0.0114700        
  6      0.0800880              0.6364970        
P   6
  1      9.0271500              0.0111310        
  2      4.0242700             -0.0963010        
  3      0.9906740              0.2986850        
  4      0.4727970              0.8892190        
  5      0.2197340             -1.4854780        
  6      0.0800880             -0.1131120        
P   1
  1      0.0306400              1.0000000        
P   1
  1      0.3327000              1.0000000        
D   5
  1      4.3045000             -0.0043910        
  2      1.3201900              0.1196820        
  3      0.5614050              0.2962740        
  4      0.2267020              0.3908730        
  5      0.0879490              0.3539610        
D   5
  1      4.3045000              0.0044330        
  2      1.3201900             -0.1499100        
  3      0.5614050             -0.3732930        
  4      0.2267020             -0.3129870        
  5      0.0879490              0.4218970        
D   1
  1      0.0323050              1.0000000        
D   1
  1      0.9830000              1.0000000        
F   1
  1      0.8499000              1.0000000        
F   1
  1      0.2028000              1.0000000


name: cc-pwCVDZ-PP
description: N/A
elt: Zr
data:
ZIRCONIUM
S   7
  1     53.4460000              0.0014860        
  2     17.0981000             -0.0365920        
  3     10.6875000              0.1321550        
  4      3.3913400             -0.5464540        
  5      0.7884750              0.8022910        
  6      0.3599820              0.4583040        
  7      0.0777920              0.0203880        
S   7
  1     53.4460000             -0.0003080        
  2     17.0981000              0.0096310        
  3     10.6875000             -0.0390430        
  4      3.3913400              0.1847170        
  5      0.7884750             -0.3584690        
  6      0.3599820             -0.3208280        
  7      0.0777920              0.6560480        
S   7
  1     53.4460000              0.0028110        
  2     17.0981000             -0.0412920        
  3     10.6875000              0.1148910        
  4      3.3913400             -0.4348090        
  5      0.7884750              1.4174320        
  6      0.3599820             -0.7286190        
  7      0.0777920             -1.6769590        
S   1
  1      0.0302340              1.0000000        
S   1
  1      0.2998000              1.0000000        
P   6
  1      9.9011600              0.0214360        
  2      4.4181900             -0.1604130        
  3      1.0931000              0.4543260        
  4      0.5187860              0.4991190        
  5      0.2363630              0.1777830        
  6      0.0847070              0.0104040        
P   6
  1      9.9011600             -0.0058310        
  2      4.4181900              0.0481520        
  3      1.0931000             -0.1600800        
  4      0.5187860             -0.2201350        
  5      0.2363630              0.0355150        
  6      0.0847070              0.6181780        
P   6
  1      9.9011600             -0.0078290        
  2      4.4181900              0.0660080        
  3      1.0931000             -0.2113740        
  4      0.5187860             -0.3575490        
  5      0.2363630              0.1703870        
  6      0.0847070              0.8518400        
P   1
  1      0.0311380              1.0000000        
P   1
  1      0.2476000              1.0000000        
D   5
  1      4.3948700             -0.0082920        
  2      1.5708900              0.1278490        
  3      0.6923540              0.3219090        
  4      0.2904140              0.3998190        
  5      0.1158780              0.3194760        
D   5
  1      4.3948700              0.0084760        
  2      1.5708900             -0.1579890        
  3      0.6923540             -0.3979000        
  4      0.2904140             -0.2555990        
  5      0.1158780              0.4914180        
D   1
  1      0.0429250              1.0000000        
D   1
  1      1.1606000              1.0000000        
F   1
  1      1.2022000              1.0000000        
F   1
  1      0.3272000              1.0000000


name: cc-pwCVDZ-PP
description: N/A
elt: Nb
data:
NIOBIUM
S   7
  1     80.8096000              0.0008890        
  2     17.9220000             -0.0347930        
  3     11.2050000              0.1389100        
  4      3.6990100             -0.5655680        
  5      0.8712090              0.8147210        
  6      0.3974440              0.4547970        
  7      0.0854690              0.0200510        
S   7
  1     80.8096000             -0.0002000        
  2     17.9220000              0.0093020        
  3     11.2050000             -0.0414910        
  4      3.6990100              0.1923710        
  5      0.8712090             -0.3713520        
  6      0.3974440             -0.3068350        
  7      0.0854690              0.6546160        
S   7
  1     80.8096000              0.0015640        
  2     17.9220000             -0.0382840        
  3     11.2050000              0.1209450        
  4      3.6990100             -0.4647790        
  5      0.8712090              1.5031600        
  6      0.3974440             -0.8262330        
  7      0.0854690             -1.5845850        
S   1
  1      0.0326640              1.0000000        
S   1
  1      0.3119000              1.0000000        
P   6
  1     10.6457000              0.0234360        
  2      4.8235100             -0.1683110        
  3      1.2030900              0.4693810        
  4      0.5695080              0.4980520        
  5      0.2569700              0.1675400        
  6      0.0929460              0.0087660        
P   6
  1     10.6457000             -0.0064960        
  2      4.8235100              0.0513810        
  3      1.2030900             -0.1706080        
  4      0.5695080             -0.2198720        
  5      0.2569700              0.0561670        
  6      0.0929460              0.6165950        
P   6
  1     10.6457000             -0.0091300        
  2      4.8235100              0.0732300        
  3      1.2030900             -0.2370360        
  4      0.5695080             -0.3685640        
  5      0.2569700              0.2364390        
  6      0.0929460              0.8267330        
P   1
  1      0.0338800              1.0000000        
P   1
  1      0.3413000              1.0000000        
D   5
  1      4.5456300             -0.0104650        
  2      1.8272300              0.1305530        
  3      0.8257640              0.3347580        
  4      0.3551560              0.4020270        
  5      0.1447240              0.3008350        
D   5
  1      4.5456300              0.0105280        
  2      1.8272300             -0.1615000        
  3      0.8257640             -0.4113720        
  4      0.3551560             -0.2117820        
  5      0.1447240              0.4861590        
D   1
  1      0.0543230              1.0000000        
D   1
  1      1.3397000              1.0000000        
F   1
  1      1.5856000              1.0000000        
F   1
  1      0.4690000              1.0000000


name: cc-pwCVDZ-PP
description: N/A
elt: Mo
data:
MOLYBDENUM
S   7
  1    106.9780000              0.0007350        
  2     18.8824000             -0.0350900        
  3     11.8077000              0.1473480        
  4      4.0211800             -0.5833630        
  5      0.9568160              0.8256350        
  6      0.4356920              0.4523110        
  7      0.0925180              0.0190550        
S   7
  1    106.9780000             -0.0001760        
  2     18.8824000              0.0093320        
  3     11.8077000             -0.0438110        
  4      4.0211800              0.1972320        
  5      0.9568160             -0.3773110        
  6      0.4356920             -0.2939670        
  7      0.0925180              0.6498330        
S   7
  1    106.9780000              0.0011660        
  2     18.8824000             -0.0376070        
  3     11.8077000              0.1259800        
  4      4.0211800             -0.4752370        
  5      0.9568160              1.4989830        
  6      0.4356920             -0.8223450        
  7      0.0925180             -1.5606240        
S   1
  1      0.0348540              1.0000000        
S   1
  1      0.3328000              1.0000000        
P   6
  1     11.4118000              0.0253450        
  2      5.2453500             -0.1752130        
  3      1.3188400              0.4812720        
  4      0.6229830              0.4972610        
  5      0.2791080              0.1595550        
  6      0.1005260              0.0075430        
P   6
  1     11.4118000             -0.0070220        
  2      5.2453500              0.0533390        
  3      1.3188400             -0.1756430        
  4      0.6229830             -0.2162130        
  5      0.2791080              0.0679580        
  6      0.1005260              0.6128160        
P   6
  1     11.4118000             -0.0104200        
  2      5.2453500              0.0798670        
  3      1.3188400             -0.2629000        
  4      0.6229830             -0.3651840        
  5      0.2791080              0.2866730        
  6      0.1005260              0.8002580        
P   1
  1      0.0362770              1.0000000        
P   1
  1      0.4371000              1.0000000        
D   5
  1      5.2576100             -0.0147610        
  2      2.1046200              0.1319820        
  3      0.9582010              0.3470860        
  4      0.4140470              0.4054710        
  5      0.1684500              0.2880580        
D   5
  1      5.2576100              0.0154390        
  2      2.1046200             -0.1606210        
  3      0.9582010             -0.4232290        
  4      0.4140470             -0.1923390        
  5      0.1684500              0.5314590        
D   1
  1      0.0623420              1.0000000        
D   1
  1      1.5039000              1.0000000        
F   1
  1      1.9502000              1.0000000        
F   1
  1      0.6007000              1.0000000


name: cc-pwCVDZ-PP
description: N/A
elt: Tc
data:
TECHNETIUM
S   7
  1    132.6560000              0.0006860        
  2     19.8986000             -0.0360010        
  3     12.4450000              0.1564650        
  4      4.3605000             -0.5995730        
  5      1.0443600              0.8357100        
  6      0.4741590              0.4490550        
  7      0.0987360              0.0183780        
S   7
  1    132.6560000             -0.0001680        
  2     19.8986000              0.0093110        
  3     12.4450000             -0.0455350        
  4      4.3605000              0.1986020        
  5      1.0443600             -0.3749740        
  6      0.4741590             -0.2817600        
  7      0.0987360              0.6329980        
S   7
  1    132.6560000              0.0009800        
  2     19.8986000             -0.0378410        
  3     12.4450000              0.1317670        
  4      4.3605000             -0.4834180        
  5      1.0443600              1.4848540        
  6      0.4741590             -0.8047310        
  7      0.0987360             -1.5511910        
S   1
  1      0.0367360              1.0000000        
S   1
  1      1.8559000              1.0000000        
P   6
  1     12.1789000              0.0273140        
  2      5.6848400             -0.1814030        
  3      1.4398300              0.4908910        
  4      0.6789090              0.4965410        
  5      0.3025150              0.1532990        
  6      0.1073070              0.0067000        
P   6
  1     12.1789000             -0.0074300        
  2      5.6848400              0.0541370        
  3      1.4398300             -0.1762270        
  4      0.6789090             -0.2096540        
  5      0.3025150              0.0734980        
  6      0.1073070              0.6070490        
P   6
  1     12.1789000             -0.0116300        
  2      5.6848400              0.0854050        
  3      1.4398300             -0.2844050        
  4      0.6789090             -0.3578760        
  5      0.3025150              0.3260330        
  6      0.1073070              0.7801240        
P   1
  1      0.0381770              1.0000000        
P   1
  1      1.8254000              1.0000000        
D   5
  1      5.7601300             -0.0164110        
  2      2.3642400              0.1344070        
  3      1.0887100              0.3547260        
  4      0.4740600              0.4044790        
  5      0.1936070              0.2788770        
D   5
  1      5.7601300              0.0169910        
  2      2.3642400             -0.1548960        
  3      1.0887100             -0.4281920        
  4      0.4740600             -0.1789920        
  5      0.1936070              0.5346560        
D   1
  1      0.0714600              1.0000000        
D   1
  1      1.7067000              1.0000000        
F   1
  1      2.2992000              1.0000000        
F   1
  1      0.7228000              1.0000000


name: cc-pwCVDZ-PP
description: N/A
elt: Ru
data:
RUTHENIUM
S   7
  1    159.3720000              0.0006730        
  2     20.9016000             -0.0371610        
  3     13.0741000              0.1665170        
  4      4.7147400             -0.6159540        
  5      1.1361200              0.8428300        
  6      0.5154640              0.4477630        
  7      0.1067670              0.0184450        
S   7
  1    159.3720000             -0.0001690        
  2     20.9016000              0.0093920        
  3     13.0741000             -0.0477130        
  4      4.7147400              0.2011130        
  5      1.1361200             -0.3734210        
  6      0.5154640             -0.2738590        
  7      0.1067670              0.6093840        
S   7
  1    159.3720000              0.0008950        
  2     20.9016000             -0.0396350        
  3     13.0741000              0.1442430        
  4      4.7147400             -0.5192870        
  5      1.1361200              1.5854040        
  6      0.5154640             -0.9082030        
  7      0.1067670             -1.4720020        
S   1
  1      0.0392180              1.0000000        
S   1
  1      2.0049000              1.0000000        
P   6
  1     12.8738000              0.0299680        
  2      6.1475000             -0.1879300        
  3      1.5652400              0.4999900        
  4      0.7361940              0.4957320        
  5      0.3263170              0.1475150        
  6      0.1124070              0.0060880        
P   6
  1     12.8738000             -0.0078010        
  2      6.1475000              0.0536560        
  3      1.5652400             -0.1719400        
  4      0.7361940             -0.1991700        
  5      0.3263170              0.0744110        
  6      0.1124070              0.5971370        
P   6
  1     12.8738000             -0.0135020        
  2      6.1475000              0.0937330        
  3      1.5652400             -0.3159100        
  4      0.7361940             -0.3618000        
  5      0.3263170              0.4008770        
  6      0.1124070              0.7537660        
P   1
  1      0.0391720              1.0000000        
P   1
  1      2.0058000              1.0000000        
D   5
  1      6.2126500             -0.0245970        
  2      2.7853900              0.1273340        
  3      1.2685100              0.3570810        
  4      0.5517900              0.4082070        
  5      0.2247310              0.2812400        
D   5
  1      6.2126500              0.0261160        
  2      2.7853900             -0.1459400        
  3      1.2685100             -0.4425210        
  4      0.5517900             -0.1690200        
  5      0.2247310              0.5052370        
D   1
  1      0.0824110              1.0000000        
D   1
  1      1.9189000              1.0000000        
F   1
  1      2.6573000              1.0000000        
F   1
  1      0.8500000              1.0000000


name: cc-pwCVDZ-PP
description: N/A
elt: Rh
data:
RHODIUM
S   7
  1    184.6660000              0.0006920        
  2     21.9974000             -0.0383930        
  3     13.7616000              0.1760190        
  4      5.0872000             -0.6299250        
  5      1.2294000              0.8495440        
  6      0.5568140              0.4457290        
  7      0.1140670              0.0182040        
S   7
  1    184.6660000             -0.0001780        
  2     21.9974000              0.0094560        
  3     13.7616000             -0.0494720        
  4      5.0872000              0.2018670        
  5      1.2294000             -0.3698090        
  6      0.5568140             -0.2653310        
  7      0.1140670              0.5891540        
S   7
  1    184.6660000              0.0008370        
  2     21.9974000             -0.0402860        
  3     13.7616000              0.1506490        
  4      5.0872000             -0.5268510        
  5      1.2294000              1.5723820        
  6      0.5568140             -0.8876430        
  7      0.1140670             -1.4709450        
S   1
  1      0.0414150              1.0000000        
S   1
  1      2.1539000              1.0000000        
P   6
  1     13.6985000              0.0318210        
  2      6.6247600             -0.1930280        
  3      1.6961300              0.5062420        
  4      0.7973510              0.4949020        
  5      0.3520340              0.1440300        
  6      0.1233420              0.0056080        
P   6
  1     13.6985000             -0.0085830        
  2      6.6247600              0.0568110        
  3      1.6961300             -0.1801720        
  4      0.7973510             -0.2034110        
  5      0.3520340              0.0848180        
  6      0.1233420              0.6010570        
P   6
  1     13.6985000             -0.0151640        
  2      6.6247600              0.1011250        
  3      1.6961300             -0.3456410        
  4      0.7973510             -0.3454850        
  5      0.3520340              0.4221020        
  6      0.1233420              0.7304790        
P   1
  1      0.0431300              1.0000000        
P   1
  1      2.2173000              1.0000000        
D   5
  1     18.7370000              0.0064810        
  2     11.7046000             -0.0139420        
  3      2.2555800              0.2506820        
  4      0.9494110              0.4511110        
  5      0.3661640              0.3839990        
D   5
  1     18.7370000             -0.0075900        
  2     11.7046000              0.0162940        
  3      2.2555800             -0.3347730        
  4      0.9494110             -0.4463960        
  5      0.3661640              0.3299670        
D   1
  1      0.1239770              1.0000000        
D   1
  1      2.2449000              1.0000000        
F   1
  1      3.0640000              1.0000000        
F   1
  1      0.9936000              1.0000000


name: cc-pwCVDZ-PP
description: N/A
elt: Pd
data:
PALLADIUM
S   7
  1    208.1230000              0.0007270        
  2     22.8525000             -0.0409280        
  3     14.2986000              0.1922850        
  4      5.4880100             -0.6501040        
  5      1.3253200              0.8565530        
  6      0.5989570              0.4438760        
  7      0.1209830              0.0178500        
S   7
  1    208.1230000             -0.0001890        
  2     22.8525000              0.0098180        
  3     14.2986000             -0.0528760        
  4      5.4880100              0.2035110        
  5      1.3253200             -0.3639350        
  6      0.5989570             -0.2582190        
  7      0.1209830              0.5704320        
S   7
  1    208.1230000              0.0008000        
  2     22.8525000             -0.0417810        
  3     14.2986000              0.1593620        
  4      5.4880100             -0.5231230        
  5      1.3253200              1.4917730        
  6      0.5989570             -0.7916960        
  7      0.1209830             -1.5172540        
S   1
  1      0.0434590              1.0000000        
S   1
  1      2.2956000              1.0000000        
P   6
  1     14.0509000              0.0379970        
  2      7.1390600             -0.2040770        
  3      1.8300700              0.5137680        
  4      0.8583350              0.4942400        
  5      0.3772750              0.1402910        
  6      0.1256960              0.0051570        
P   6
  1     14.0509000             -0.0093130        
  2      7.1390600              0.0546710        
  3      1.8300700             -0.1661610        
  4      0.8583350             -0.1858420        
  5      0.3772750              0.0731610        
  6      0.1256960              0.5861720        
P   6
  1     14.0509000             -0.0186030        
  2      7.1390600              0.1098650        
  3      1.8300700             -0.3664000        
  4      0.8583350             -0.3473160        
  5      0.3772750              0.4820340        
  6      0.1256960              0.7096400        
P   1
  1      0.0426590              1.0000000        
P   1
  1      2.3900000              1.0000000        
D   5
  1     19.2539000              0.0066240        
  2     10.5848000             -0.0184110        
  3      2.4561900              0.2633960        
  4      1.0352900              0.4524480        
  5      0.4020080              0.3758330        
D   5
  1     19.2539000             -0.0078390        
  2     10.5848000              0.0218380        
  3      2.4561900             -0.3691550        
  4      1.0352900             -0.4309590        
  5      0.4020080              0.3749650        
D   1
  1      0.1370570              1.0000000        
D   1
  1      2.4699000              1.0000000        
F   1
  1      3.4821000              1.0000000        
F   1
  1      1.1484000              1.0000000


name: cc-pwCVQZ-DK
description: QZ3P All-electron Douglas-Kroll Core-Valence Quadruple Zeta + Polarization
elt: Sc
data:
SCANDIUM
S   21
  1 8417909.0000000             0.0000450        
  2 1260312.0000000             0.0001300        
  3 286798.4000000              0.0003520        
  4  81234.6900000              0.0008820        
  5  26503.1100000              0.0021990        
  6   9568.7010000              0.0055320        
  7   3732.4970000              0.0140830        
  8   1548.4220000              0.0350930        
  9    675.5420000              0.0814300        
 10    307.2522000              0.1645690        
 11    144.6672000              0.2626320        
 12     70.0438700              0.2731620        
 13     34.3225000              0.1412160        
 14     15.6122400              0.0704600        
 15      7.7437220              0.1249190        
 16      3.8442600              0.0881650        
 17      1.7197660              0.0113260        
 18      0.8325230             -0.0004190        
 19      0.3855640              0.0001250        
 20      0.0967000             -0.0000430        
 21      0.0477780              0.0000400        
S   21
  1 8417909.0000000            -0.0000260        
  2 1260312.0000000            -0.0000750        
  3 286798.4000000             -0.0002020        
  4  81234.6900000             -0.0005070        
  5  26503.1100000             -0.0012640        
  6   9568.7010000             -0.0031910        
  7   3732.4970000             -0.0081610        
  8   1548.4220000             -0.0206010        
  9    675.5420000             -0.0489160        
 10    307.2522000             -0.1043990        
 11    144.6672000             -0.1854760        
 12     70.0438700             -0.2443340        
 13     34.3225000             -0.1538870        
 14     15.6122400              0.1868870        
 15      7.7437220              0.5333670        
 16      3.8442600              0.3687560        
 17      1.7197660              0.0495060        
 18      0.8325230             -0.0039720        
 19      0.3855640              0.0001950        
 20      0.0967000             -0.0003590        
 21      0.0477780              0.0002880        
S   21
  1 8417909.0000000             0.0000050        
  2 1260312.0000000             0.0000150        
  3 286798.4000000              0.0000400        
  4  81234.6900000              0.0001000        
  5  26503.1100000              0.0002490        
  6   9568.7010000              0.0006330        
  7   3732.4970000              0.0016220        
  8   1548.4220000              0.0041490        
  9    675.5420000              0.0100150        
 10    307.2522000              0.0224020        
 11    144.6672000              0.0427710        
 12     70.0438700              0.0651430        
 13     34.3225000              0.0450750        
 14     15.6122400             -0.0858650        
 15      7.7437220             -0.3310660        
 16      3.8442600             -0.3584680        
 17      1.7197660              0.2210450        
 18      0.8325230              0.6853970        
 19      0.3855640              0.3601480        
 20      0.0967000              0.0191690        
 21      0.0477780             -0.0058640        
S   21
  1 8417909.0000000            -0.0000010        
  2 1260312.0000000            -0.0000040        
  3 286798.4000000             -0.0000100        
  4  81234.6900000             -0.0000240        
  5  26503.1100000             -0.0000600        
  6   9568.7010000             -0.0001530        
  7   3732.4970000             -0.0003920        
  8   1548.4220000             -0.0010030        
  9    675.5420000             -0.0024210        
 10    307.2522000             -0.0054190        
 11    144.6672000             -0.0103610        
 12     70.0438700             -0.0158320        
 13     34.3225000             -0.0110030        
 14     15.6122400              0.0211590        
 15      7.7437220              0.0853750        
 16      3.8442600              0.0964150        
 17      1.7197660             -0.0709410        
 18      0.8325230             -0.2398400        
 19      0.3855640             -0.2720170        
 20      0.0967000              0.3127010        
 21      0.0477780              0.6137670        
S   21
  1 8417909.0000000            -0.0000020        
  2 1260312.0000000            -0.0000060        
  3 286798.4000000             -0.0000170        
  4  81234.6900000             -0.0000420        
  5  26503.1100000             -0.0001030        
  6   9568.7010000             -0.0002720        
  7   3732.4970000             -0.0006550        
  8   1548.4220000             -0.0018210        
  9    675.5420000             -0.0039590        
 10    307.2522000             -0.0101080        
 11    144.6672000             -0.0162010        
 12     70.0438700             -0.0318930        
 13     34.3225000             -0.0102390        
 14     15.6122400              0.0155450        
 15      7.7437220              0.2031530        
 16      3.8442600              0.0891500        
 17      1.7197660              0.0262840        
 18      0.8325230             -0.9642330        
 19      0.3855640              0.2264090        
 20      0.0967000              2.0955710        
 21      0.0477780             -1.1942840        
S   21
  1 8417909.0000000            -0.0000030        
  2 1260312.0000000            -0.0000100        
  3 286798.4000000             -0.0000260        
  4  81234.6900000             -0.0000670        
  5  26503.1100000             -0.0001600        
  6   9568.7010000             -0.0004350        
  7   3732.4970000             -0.0010050        
  8   1548.4220000             -0.0029490        
  9    675.5420000             -0.0059720        
 10    307.2522000             -0.0166370        
 11    144.6672000             -0.0236840        
 12     70.0438700             -0.0549230        
 13     34.3225000             -0.0072170        
 14     15.6122400              0.0034090        
 15      7.7437220              0.3895120        
 16      3.8442600              0.0925470        
 17      1.7197660             -0.0164440        
 18      0.8325230             -2.3078390        
 19      0.3855640              2.7174500        
 20      0.0967000              0.0384980        
 21      0.0477780             -2.5297130        
S   21
  1 8417909.0000000            -0.0000040        
  2 1260312.0000000            -0.0000100        
  3 286798.4000000             -0.0000280        
  4  81234.6900000             -0.0000700        
  5  26503.1100000             -0.0001810        
  6   9568.7010000             -0.0004320        
  7   3732.4970000             -0.0012120        
  8   1548.4220000             -0.0027520        
  9    675.5420000             -0.0077240        
 10    307.2522000             -0.0142930        
 11    144.6672000             -0.0351350        
 12     70.0438700             -0.0368140        
 13     34.3225000             -0.0559630        
 14     15.6122400              0.1117600        
 15      7.7437220              0.2141660        
 16      3.8442600              0.6131590        
 17      1.7197660             -1.4758760        
 18      0.8325230             -0.6976530        
 19      0.3855640              2.9768830        
 20      0.0967000             -5.7468710        
 21      0.0477780              6.9531630        
S   1
  1      0.0223630              1.0000000        
S   1
  1      3.1672000              1.0000000        
S   1
  1      1.6879000              1.0000000        
P   17
  1  22640.9700000              0.0000390        
  2   5357.5450000              0.0001730        
  3   1740.3730000              0.0007840        
  4    666.6163000              0.0031410        
  5    283.6384000              0.0111150        
  6    129.7976000              0.0338110        
  7     62.6795600              0.0871300        
  8     31.5044100              0.1810660        
  9     16.2352500              0.2894700        
 10      8.5183240              0.3269550        
 11      4.5190050              0.2089190        
 12      2.3665910              0.0541810        
 13      1.2152350              0.0016720        
 14      0.6143480             -0.0015710        
 15      0.3007450             -0.0010160        
 16      0.1258340             -0.0000590        
 17      0.0547190             -0.0000200        
P   17
  1  22640.9700000             -0.0000130        
  2   5357.5450000             -0.0000570        
  3   1740.3730000             -0.0002570        
  4    666.6163000             -0.0010350        
  5    283.6384000             -0.0036790        
  6    129.7976000             -0.0113360        
  7     62.6795600             -0.0298480        
  8     31.5044100             -0.0640540        
  9     16.2352500             -0.1060770        
 10      8.5183240             -0.1280140        
 11      4.5190050             -0.0515380        
 12      2.3665910              0.1753060        
 13      1.2152350              0.3929150        
 14      0.6143480              0.3955600        
 15      0.3007450              0.1755030        
 16      0.1258340              0.0190220        
 17      0.0547190              0.0000740        
P   17
  1  22640.9700000             -0.0000030        
  2   5357.5450000             -0.0000140        
  3   1740.3730000             -0.0000630        
  4    666.6163000             -0.0002520        
  5    283.6384000             -0.0009000        
  6    129.7976000             -0.0027610        
  7     62.6795600             -0.0073230        
  8     31.5044100             -0.0156550        
  9     16.2352500             -0.0262660        
 10      8.5183240             -0.0315690        
 11      4.5190050             -0.0120800        
 12      2.3665910              0.0527840        
 13      1.2152350              0.1138130        
 14      0.6143480              0.1457620        
 15      0.3007450              0.0132030        
 16      0.1258340             -0.3522610        
 17      0.0547190             -0.5500870        
P   17
  1  22640.9700000              0.0000040        
  2   5357.5450000              0.0000170        
  3   1740.3730000              0.0000760        
  4    666.6163000              0.0003070        
  5    283.6384000              0.0010930        
  6    129.7976000              0.0033720        
  7     62.6795600              0.0088800        
  8     31.5044100              0.0191230        
  9     16.2352500              0.0317460        
 10      8.5183240              0.0387620        
 11      4.5190050              0.0146420        
 12      2.3665910             -0.0606900        
 13      1.2152350             -0.1356270        
 14      0.6143480             -0.1751720        
 15      0.3007450             -0.0771000        
 16      0.1258340              0.5646910        
 17      0.0547190              0.5410650        
P   17
  1  22640.9700000              0.0000080        
  2   5357.5450000              0.0000330        
  3   1740.3730000              0.0001590        
  4    666.6163000              0.0005920        
  5    283.6384000              0.0022770        
  6    129.7976000              0.0064620        
  7     62.6795600              0.0186080        
  8     31.5044100              0.0360080        
  9     16.2352500              0.0694180        
 10      8.5183240              0.0707610        
 11      4.5190050              0.0575890        
 12      2.3665910             -0.1767470        
 13      1.2152350             -0.3333020        
 14      0.6143480             -0.5698890        
 15      0.3007450              1.1782580        
 16      0.1258340              0.5507190        
 17      0.0547190             -0.9782210        
P   17
  1  22640.9700000             -0.0000090        
  2   5357.5450000             -0.0000440        
  3   1740.3730000             -0.0001670        
  4    666.6163000             -0.0008330        
  5    283.6384000             -0.0023500        
  6    129.7976000             -0.0091880        
  7     62.6795600             -0.0185450        
  8     31.5044100             -0.0537550        
  9     16.2352500             -0.0596530        
 10      8.5183240             -0.1569490        
 11      4.5190050              0.0129350        
 12      2.3665910              0.0894440        
 13      1.2152350              1.2768110        
 14      0.6143480             -1.0591470        
 15      0.3007450             -1.3241720        
 16      0.1258340              2.3680990        
 17      0.0547190             -1.1750710        
P   1
  1      0.0234880              1.0000000        
P   1
  1      4.0719000              1.0000000        
P   1
  1      0.9994000              1.0000000        
D   10
  1    148.0280000              0.0004900        
  2     43.8528000              0.0041290        
  3     16.6646000              0.0186860        
  4      6.9789300              0.0578540        
  5      3.1236900              0.1370780        
  6      1.4468700              0.2310160        
  7      0.6674070              0.2956830        
  8      0.3016330              0.3047830        
  9      0.1326740              0.2399250        
 10      0.0567390              0.1100890        
D   10
  1    148.0280000             -0.0005030        
  2     43.8528000             -0.0042440        
  3     16.6646000             -0.0192830        
  4      6.9789300             -0.0603550        
  5      3.1236900             -0.1437060        
  6      1.4468700             -0.2301500        
  7      0.6674070             -0.2631470        
  8      0.3016330             -0.0555990        
  9      0.1326740              0.4054920        
 10      0.0567390              0.4846050        
D   10
  1    148.0280000             -0.0006520        
  2     43.8528000             -0.0054270        
  3     16.6646000             -0.0252250        
  4      6.9789300             -0.0772000        
  5      3.1236900             -0.1898980        
  6      1.4468700             -0.2877690        
  7      0.6674070             -0.1763680        
  8      0.3016330              0.5992450        
  9      0.1326740              0.5002360        
 10      0.0567390             -0.6733890        
D   10
  1    148.0280000              0.0008350        
  2     43.8528000              0.0083830        
  3     16.6646000              0.0331020        
  4      6.9789300              0.1257230        
  5      3.1236900              0.2477730        
  6      1.4468700              0.4535390        
  7      0.6674070             -0.5351160        
  8      0.3016330             -0.8932680        
  9      0.1326740              1.4396580        
 10      0.0567390             -0.4547520        
D   1
  1      0.0231750              1.0000000        
D   1
  1      2.1282000              1.0000000        
D   1
  1      0.9691000              1.0000000        
F   1
  1      2.7590000              1.0000000        
F   1
  1      1.0490000              1.0000000        
F   1
  1      0.3989000              1.0000000        
F   1
  1      0.1106000              1.0000000        
G   1
  1      2.4852000              1.0000000        
G   1
  1      0.9067000              1.0000000        
G   1
  1      0.2530000              1.0000000        
H   1
  1      2.0405000              1.0000000        
H   1
  1      0.4934000              1.0000000


name: cc-pwCVQZ-DK
description: QZ3P All-electron Douglas-Kroll Core-Valence Quadruple Zeta + Polarization
elt: Ti
data:
TITANIUM
S   21
  1 9317034.0000000             0.0000480        
  2 1394971.0000000             0.0001370        
  3 317453.1000000              0.0003690        
  4  89921.0000000              0.0009180        
  5  29338.1600000              0.0022650        
  6  10592.6600000              0.0056370        
  7   4132.0560000              0.0142060        
  8   1714.2350000              0.0351600        
  9    747.9151000              0.0813360        
 10    340.1991000              0.1643130        
 11    160.2060000              0.2627320        
 12     77.5885100              0.2747630        
 13     38.0448900              0.1433810        
 14     17.3536200              0.0699260        
 15      8.6420620              0.1217330        
 16      4.3044040              0.0854080        
 17      1.9377180              0.0109570        
 18      0.9365940             -0.0003620        
 19      0.4326240              0.0000950        
 20      0.1073520             -0.0000310        
 21      0.0520340              0.0000390        
S   21
  1 9317034.0000000            -0.0000270        
  2 1394971.0000000            -0.0000780        
  3 317453.1000000             -0.0002090        
  4  89921.0000000             -0.0005220        
  5  29338.1600000             -0.0012900        
  6  10592.6600000             -0.0032220        
  7   4132.0560000             -0.0081580        
  8   1714.2350000             -0.0204590        
  9    747.9151000             -0.0484440        
 10    340.1991000             -0.1033990        
 11    160.2060000             -0.1841860        
 12     77.5885100             -0.2439660        
 13     38.0448900             -0.1550920        
 14     17.3536200              0.1879170        
 15      8.6420620              0.5361260        
 16      4.3044040              0.3679910        
 17      1.9377180              0.0494090        
 18      0.9365940             -0.0038250        
 19      0.4326240              0.0000870        
 20      0.1073520             -0.0003080        
 21      0.0520340              0.0002850        
S   21
  1 9317034.0000000             0.0000060        
  2 1394971.0000000             0.0000160        
  3 317453.1000000              0.0000430        
  4  89921.0000000              0.0001060        
  5  29338.1600000              0.0002630        
  6  10592.6600000              0.0006590        
  7   4132.0560000              0.0016720        
  8   1714.2350000              0.0042500        
  9    747.9151000              0.0102280        
 10    340.1991000              0.0228630        
 11    160.2060000              0.0437150        
 12     77.5885100              0.0667600        
 13     38.0448900              0.0466230        
 14     17.3536200             -0.0882470        
 15      8.6420620             -0.3414970        
 16      4.3044040             -0.3594440        
 17      1.9377180              0.2370220        
 18      0.9365940              0.6874350        
 19      0.4326240              0.3500250        
 20      0.1073520              0.0179040        
 21      0.0520340             -0.0054380        
S   21
  1 9317034.0000000            -0.0000010        
  2 1394971.0000000            -0.0000040        
  3 317453.1000000             -0.0000100        
  4  89921.0000000             -0.0000250        
  5  29338.1600000             -0.0000620        
  6  10592.6600000             -0.0001560        
  7   4132.0560000             -0.0003970        
  8   1714.2350000             -0.0010080        
  9    747.9151000             -0.0024260        
 10    340.1991000             -0.0054310        
 11    160.2060000             -0.0103860        
 12     77.5885100             -0.0159460        
 13     38.0448900             -0.0111360        
 14     17.3536200              0.0212810        
 15      8.6420620              0.0868200        
 16      4.3044040              0.0946190        
 17      1.9377180             -0.0736970        
 18      0.9365940             -0.2412180        
 19      0.4326240             -0.2563650        
 20      0.1073520              0.3168670        
 21      0.0520340              0.6062010        
S   21
  1 9317034.0000000            -0.0000020        
  2 1394971.0000000            -0.0000070        
  3 317453.1000000             -0.0000190        
  4  89921.0000000             -0.0000470        
  5  29338.1600000             -0.0001140        
  6  10592.6600000             -0.0002980        
  7   4132.0560000             -0.0007100        
  8   1714.2350000             -0.0019660        
  9    747.9151000             -0.0042390        
 10    340.1991000             -0.0108910        
 11    160.2060000             -0.0173170        
 12     77.5885100             -0.0346520        
 13     38.0448900             -0.0106910        
 14     17.3536200              0.0155810        
 15      8.6420620              0.2245120        
 16      4.3044040              0.0886640        
 17      1.9377180              0.0159690        
 18      0.9365940             -1.0519990        
 19      0.4326240              0.3677290        
 20      0.1073520              2.0024320        
 21      0.0520340             -1.2263140        
S   21
  1 9317034.0000000            -0.0000040        
  2 1394971.0000000            -0.0000110        
  3 317453.1000000             -0.0000290        
  4  89921.0000000             -0.0000740        
  5  29338.1600000             -0.0001770        
  6  10592.6600000             -0.0004720        
  7   4132.0560000             -0.0010940        
  8   1714.2350000             -0.0031320        
  9    747.9151000             -0.0064710        
 10    340.1991000             -0.0175340        
 11    160.2060000             -0.0259950        
 12     77.5885100             -0.0574830        
 13     38.0448900             -0.0112000        
 14     17.3536200              0.0114700        
 15      8.6420620              0.4086420        
 16      4.3044040              0.1257640        
 17      1.9377180             -0.1612930        
 18      0.9365940             -2.2350150        
 19      0.4326240              2.8573850        
 20      0.1073520             -0.4826880        
 21      0.0520340             -1.8788870        
S   21
  1 9317034.0000000            -0.0000040        
  2 1394971.0000000            -0.0000120        
  3 317453.1000000             -0.0000330        
  4  89921.0000000             -0.0000800        
  5  29338.1600000             -0.0002080        
  6  10592.6600000             -0.0004770        
  7   4132.0560000             -0.0013800        
  8   1714.2350000             -0.0029340        
  9    747.9151000             -0.0088360        
 10    340.1991000             -0.0148350        
 11    160.2060000             -0.0412370        
 12     77.5885100             -0.0353130        
 13     38.0448900             -0.0745600        
 14     17.3536200              0.1566220        
 15      8.6420620              0.1970970        
 16      4.3044040              0.7633560        
 17      1.9377180             -2.1344110        
 18      0.9365940              0.4049510        
 19      0.4326240              2.1153220        
 20      0.1073520             -5.0821820        
 21      0.0520340              6.4423500        
S   1
  1      0.0240380              1.0000000        
S   1
  1      4.0519000              1.0000000        
S   1
  1      1.0592000              1.0000000        
P   17
  1  25537.3300000              0.0000410        
  2   6042.2430000              0.0001750        
  3   1962.6530000              0.0007800        
  4    751.7338000              0.0030920        
  5    319.8833000              0.0109090        
  6    146.4300000              0.0332110        
  7     70.7486100              0.0858830        
  8     35.5908800              0.1795240        
  9     18.3689300              0.2888880        
 10      9.6586550              0.3276960        
 11      5.1367300              0.2100700        
 12      2.6988720              0.0549250        
 13      1.3897030              0.0018240        
 14      0.7031630             -0.0015830        
 15      0.3441230             -0.0010010        
 16      0.1413750             -0.0000600        
 17      0.0607910             -0.0000160        
P   17
  1  25537.3300000             -0.0000140        
  2   6042.2430000             -0.0000590        
  3   1962.6530000             -0.0002620        
  4    751.7338000             -0.0010410        
  5    319.8833000             -0.0036910        
  6    146.4300000             -0.0113840        
  7     70.7486100             -0.0300860        
  8     35.5908800             -0.0650050        
  9     18.3689300             -0.1085090        
 10      9.6586550             -0.1312330        
 11      5.1367300             -0.0513800        
 12      2.6988720              0.1797250        
 13      1.3897030              0.3962200        
 14      0.7031630              0.3915750        
 15      0.3441230              0.1730820        
 16      0.1413750              0.0188130        
 17      0.0607910             -0.0002960        
P   17
  1  25537.3300000              0.0000030        
  2   6042.2430000              0.0000140        
  3   1962.6530000              0.0000630        
  4    751.7338000              0.0002490        
  5    319.8833000              0.0008880        
  6    146.4300000              0.0027250        
  7     70.7486100              0.0072650        
  8     35.5908800              0.0156150        
  9     18.3689300              0.0264500        
 10      9.6586550              0.0317660        
 11      5.1367300              0.0120800        
 12      2.6988720             -0.0532040        
 13      1.3897030             -0.1129400        
 14      0.7031630             -0.1429220        
 15      0.3441230             -0.0096270        
 16      0.1413750              0.3540680        
 17      0.0607910              0.5482170        
P   17
  1  25537.3300000              0.0000040        
  2   6042.2430000              0.0000180        
  3   1962.6530000              0.0000790        
  4    751.7338000              0.0003140        
  5    319.8833000              0.0011130        
  6    146.4300000              0.0034320        
  7     70.7486100              0.0090940        
  8     35.5908800              0.0196660        
  9     18.3689300              0.0330480        
 10      9.6586550              0.0402020        
 11      5.1367300              0.0150120        
 12      2.6988720             -0.0640970        
 13      1.3897030             -0.1398750        
 14      0.7031630             -0.1795270        
 15      0.3441230             -0.0499880        
 16      0.1413750              0.5710180        
 17      0.0607910              0.5224460        
P   17
  1  25537.3300000              0.0000080        
  2   6042.2430000              0.0000340        
  3   1962.6530000              0.0001610        
  4    751.7338000              0.0005930        
  5    319.8833000              0.0022830        
  6    146.4300000              0.0064630        
  7     70.7486100              0.0187630        
  8     35.5908800              0.0364410        
  9     18.3689300              0.0710110        
 10      9.6586550              0.0710910        
 11      5.1367300              0.0583500        
 12      2.6988720             -0.1859340        
 13      1.3897030             -0.3293680        
 14      0.7031630             -0.5446980        
 15      0.3441230              1.1603920        
 16      0.1413750              0.5310260        
 17      0.0607910             -0.9673130        
P   17
  1  25537.3300000             -0.0000100        
  2   6042.2430000             -0.0000450        
  3   1962.6530000             -0.0001770        
  4    751.7338000             -0.0008240        
  5    319.8833000             -0.0024550        
  6    146.4300000             -0.0090560        
  7     70.7486100             -0.0196030        
  8     35.5908800             -0.0531680        
  9     18.3689300             -0.0659310        
 10      9.6586550             -0.1487020        
 11      5.1367300             -0.0224680        
 12      2.6988720              0.1803870        
 13      1.3897030              1.1704710        
 14      0.7031630             -1.0091870        
 15      0.3441230             -1.2804130        
 16      0.1413750              2.2836230        
 17      0.0607910             -1.1335330        
P   1
  1      0.0258310              1.0000000        
P   1
  1      4.8241000              1.0000000        
P   1
  1      1.2211000              1.0000000        
D   10
  1    199.9720000              0.0003870        
  2     59.1869000              0.0033620        
  3     22.6013000              0.0161370        
  4      9.5739100              0.0519050        
  5      4.3177100              0.1286240        
  6      2.0237300              0.2291190        
  7      0.9471690              0.3019170        
  8      0.4338770              0.3096490        
  9      0.1921260              0.2346190        
 10      0.0814040              0.1048760        
D   10
  1    199.9720000             -0.0003950        
  2     59.1869000             -0.0034330        
  3     22.6013000             -0.0165460        
  4      9.5739100             -0.0538430        
  5      4.3177100             -0.1356220        
  6      2.0237300             -0.2281990        
  7      0.9471690             -0.2563190        
  8      0.4338770             -0.0539210        
  9      0.1921260              0.3874070        
 10      0.0814040              0.4995520        
D   10
  1    199.9720000             -0.0006270        
  2     59.1869000             -0.0054590        
  3     22.6013000             -0.0266700        
  4      9.5739100             -0.0882250        
  5      4.3177100             -0.2246980        
  6      2.0237300             -0.3285440        
  7      0.9471690             -0.1158350        
  8      0.4338770              0.6164880        
  9      0.1921260              0.4178460        
 10      0.0814040             -0.6084680        
D   10
  1    199.9720000             -0.0007040        
  2     59.1869000             -0.0070290        
  3     22.6013000             -0.0306810        
  4      9.5739100             -0.1179840        
  5      4.3177100             -0.2736880        
  6      2.0237300             -0.3822080        
  7      0.9471690              0.5416700        
  8      0.4338770              0.7650710        
  9      0.1921260             -1.2834360        
 10      0.0814040              0.2757400        
D   1
  1      0.0322330              1.0000000        
D   1
  1      2.7829000              1.0000000        
D   1
  1      1.3657000              1.0000000        
F   1
  1      3.7192000              1.0000000        
F   1
  1      1.4838000              1.0000000        
F   1
  1      0.5920000              1.0000000        
F   1
  1      0.1796000              1.0000000        
G   1
  1      3.2099000              1.0000000        
G   1
  1      1.2652000              1.0000000        
G   1
  1      0.3947000              1.0000000        
H   1
  1      2.7676000              1.0000000        
H   1
  1      0.8524000              1.0000000


name: cc-pwCVQZ-DK
description: QZ3P All-electron Douglas-Kroll Core-Valence Quadruple Zeta + Polarization
elt: V
data:
VANADIUM
S   21
  1 10251780.0000000            0.0000510        
  2 1534920.0000000             0.0001450        
  3 349300.9000000              0.0003880        
  4  98942.0500000              0.0009590        
  5  32281.3600000              0.0023460        
  6  11655.2700000              0.0057780        
  7   4546.5480000              0.0144180        
  8   1886.1850000              0.0354410        
  9    822.9417000              0.0817150        
 10    374.3439000              0.1649650        
 11    176.3069000              0.2641750        
 12     85.4066100              0.2776330        
 13     41.9043500              0.1460600        
 14     19.1552500              0.0683250        
 15      9.5716170              0.1153650        
 16      4.7800860              0.0802700        
 17      2.1618600              0.0102060        
 18      1.0427110             -0.0003070        
 19      0.4802820              0.0000610        
 20      0.1176380             -0.0000200        
 21      0.0561740              0.0000370        
S   21
  1 10251780.0000000           -0.0000280        
  2 1534920.0000000            -0.0000800        
  3 349300.9000000             -0.0002150        
  4  98942.0500000             -0.0005330        
  5  32281.3600000             -0.0013050        
  6  11655.2700000             -0.0032250        
  7   4546.5480000             -0.0080890        
  8   1886.1850000             -0.0201520        
  9    822.9417000             -0.0475820        
 10    374.3439000             -0.1015860        
 11    176.3069000             -0.1814790        
 12     85.4066100             -0.2418400        
 13     41.9043500             -0.1546910        
 14     19.1552500              0.1906220        
 15      9.5716170              0.5397270        
 16      4.7800860              0.3667050        
 17      2.1618600              0.0489360        
 18      1.0427110             -0.0037570        
 19      0.4802820             -0.0000410        
 20      0.1176380             -0.0002620        
 21      0.0561740              0.0002880        
S   21
  1 10251780.0000000            0.0000060        
  2 1534920.0000000             0.0000170        
  3 349300.9000000              0.0000450        
  4  98942.0500000              0.0001130        
  5  32281.3600000              0.0002760        
  6  11655.2700000              0.0006850        
  7   4546.5480000              0.0017220        
  8   1886.1850000              0.0043460        
  9    822.9417000              0.0104260        
 10    374.3439000              0.0232820        
 11    176.3069000              0.0445480        
 12     85.4066100              0.0681470        
 13     41.9043500              0.0477830        
 14     19.1552500             -0.0909640        
 15      9.5716170             -0.3509110        
 16      4.7800860             -0.3582080        
 17      2.1618600              0.2523820        
 18      1.0427110              0.6881350        
 19      0.4802820              0.3404340        
 20      0.1176380              0.0167320        
 21      0.0561740             -0.0049670        
S   21
  1 10251780.0000000           -0.0000010        
  2 1534920.0000000            -0.0000040        
  3 349300.9000000             -0.0000110        
  4  98942.0500000             -0.0000260        
  5  32281.3600000             -0.0000640        
  6  11655.2700000             -0.0001590        
  7   4546.5480000             -0.0004010        
  8   1886.1850000             -0.0010120        
  9    822.9417000             -0.0024260        
 10    374.3439000             -0.0054310        
 11    176.3069000             -0.0103840        
 12     85.4066100             -0.0159960        
 13     41.9043500             -0.0111760        
 14     19.1552500              0.0214850        
 15      9.5716170              0.0878790        
 16      4.7800860              0.0922920        
 17      2.1618600             -0.0762840        
 18      1.0427110             -0.2409190        
 19      0.4802820             -0.2425420        
 20      0.1176380              0.3201900        
 21      0.0561740              0.5991660        
S   21
  1 10251780.0000000           -0.0000030        
  2 1534920.0000000            -0.0000080        
  3 349300.9000000             -0.0000200        
  4  98942.0500000             -0.0000510        
  5  32281.3600000             -0.0001220        
  6  11655.2700000             -0.0003180        
  7   4546.5480000             -0.0007480        
  8   1886.1850000             -0.0020610        
  9    822.9417000             -0.0044150        
 10    374.3439000             -0.0113810        
 11    176.3069000             -0.0180080        
 12     85.4066100             -0.0363880        
 13     41.9043500             -0.0109160        
 14     19.1552500              0.0158660        
 15      9.5716170              0.2385610        
 16      4.7800860              0.0861270        
 17      2.1618600              0.0045110        
 18      1.0427110             -1.0936470        
 19      0.4802820              0.4530570        
 20      0.1176380              1.9309090        
 21      0.0561740             -1.2327630        
S   21
  1 10251780.0000000           -0.0000040        
  2 1534920.0000000            -0.0000120        
  3 349300.9000000             -0.0000320        
  4  98942.0500000             -0.0000810        
  5  32281.3600000             -0.0001910        
  6  11655.2700000             -0.0005020        
  7   4546.5480000             -0.0011630        
  8   1886.1850000             -0.0032710        
  9    822.9417000             -0.0068350        
 10    374.3439000             -0.0181850        
 11    176.3069000             -0.0276530        
 12     85.4066100             -0.0593360        
 13     41.9043500             -0.0139910        
 14     19.1552500              0.0177810        
 15      9.5716170              0.4239440        
 16      4.7800860              0.1443250        
 17      2.1618600             -0.2717610        
 18      1.0427110             -2.1448410        
 19      0.4802820              2.9061280        
 20      0.1176380             -0.7881850        
 21      0.0561740             -1.4659060        
S   21
  1 10251780.0000000           -0.0000050        
  2 1534920.0000000            -0.0000140        
  3 349300.9000000             -0.0000370        
  4  98942.0500000             -0.0000890        
  5  32281.3600000             -0.0002320        
  6  11655.2700000             -0.0005200        
  7   4546.5480000             -0.0015180        
  8   1886.1850000             -0.0031210        
  9    822.9417000             -0.0096880        
 10    374.3439000             -0.0155290        
 11    176.3069000             -0.0457170        
 12     85.4066100             -0.0354600        
 13     41.9043500             -0.0871400        
 14     19.1552500              0.1876050        
 15      9.5716170              0.2022650        
 16      4.7800860              0.8408220        
 17      2.1618600             -2.5807070        
 18      1.0427110              1.1903460        
 19      0.4802820              1.4732050        
 20      0.1176380             -4.5441610        
 21      0.0561740              5.9967610        
S   1
  1      0.0256610              1.0000000        
S   1
  1      4.4632000              1.0000000        
S   1
  1      1.3107000              1.0000000        
P   17
  1  28563.3200000              0.0000430        
  2   6757.1910000              0.0001780        
  3   2194.6520000              0.0007810        
  4    840.5257000              0.0030620        
  5    357.6666000              0.0107680        
  6    163.7534000              0.0327920        
  7     79.1446600              0.0850360        
  8     39.8385800              0.1785820        
  9     20.5853600              0.2887830        
 10     10.8430700              0.3282520        
 11      5.7779690              0.2104570        
 12      3.0431700              0.0551900        
 13      1.5702390              0.0018830        
 14      0.7949750             -0.0016270        
 15      0.3889800             -0.0010070        
 16      0.1573350             -0.0000620        
 17      0.0665830             -0.0000130        
P   17
  1  28563.3200000             -0.0000150        
  2   6757.1910000             -0.0000610        
  3   2194.6520000             -0.0002670        
  4    840.5257000             -0.0010490        
  5    357.6666000             -0.0037070        
  6    163.7534000             -0.0114380        
  7     79.1446600             -0.0303200        
  8     39.8385800             -0.0658710        
  9     20.5853600             -0.1106360        
 10     10.8430700             -0.1337960        
 11      5.7779690             -0.0504700        
 12      3.0431700              0.1841380        
 13      1.5702390              0.3986760        
 14      0.7949750              0.3877830        
 15      0.3889800              0.1710070        
 16      0.1573350              0.0185650        
 17      0.0665830             -0.0005590        
P   17
  1  28563.3200000              0.0000040        
  2   6757.1910000              0.0000150        
  3   2194.6520000              0.0000650        
  4    840.5257000              0.0002520        
  5    357.6666000              0.0008980        
  6    163.7534000              0.0027560        
  7     79.1446600              0.0073760        
  8     39.8385800              0.0159330        
  9     20.5853600              0.0271950        
 10     10.8430700              0.0325940        
 11      5.7779690              0.0118210        
 12      3.0431700             -0.0558370        
 13      1.5702390             -0.1156350        
 14      0.7949750             -0.1386370        
 15      0.3889800              0.0022130        
 16      0.1573350              0.3520420        
 17      0.0665830              0.5411560        
P   17
  1  28563.3200000              0.0000040        
  2   6757.1910000              0.0000180        
  3   2194.6520000              0.0000810        
  4    840.5257000              0.0003180        
  5    357.6666000              0.0011240        
  6    163.7534000              0.0034680        
  7     79.1446600              0.0092140        
  8     39.8385800              0.0200460        
  9     20.5853600              0.0338840        
 10     10.8430700              0.0412880        
 11      5.7779690              0.0147000        
 12      3.0431700             -0.0662180        
 13      1.5702390             -0.1436870        
 14      0.7949750             -0.1780180        
 15      0.3889800             -0.0335830        
 16      0.1573350              0.5764400        
 17      0.0665830              0.5110710        
P   17
  1  28563.3200000              0.0000090        
  2   6757.1910000              0.0000360        
  3   2194.6520000              0.0001680        
  4    840.5257000              0.0006150        
  5    357.6666000              0.0023560        
  6    163.7534000              0.0066770        
  7     79.1446600              0.0194410        
  8     39.8385800              0.0380200        
  9     20.5853600              0.0743940        
 10     10.8430700              0.0746660        
 11      5.7779690              0.0596980        
 12      3.0431700             -0.2028460        
 13      1.5702390             -0.3467910        
 14      0.7949750             -0.4971730        
 15      0.3889800              1.1593020        
 16      0.1573350              0.4791120        
 17      0.0665830             -0.9455920        
P   17
  1  28563.3200000             -0.0000110        
  2   6757.1910000             -0.0000500        
  3   2194.6520000             -0.0001900        
  4    840.5257000             -0.0008750        
  5    357.6666000             -0.0026070        
  6    163.7534000             -0.0096130        
  7     79.1446600             -0.0209460        
  8     39.8385800             -0.0570950        
  9     20.5853600             -0.0712500        
 10     10.8430700             -0.1585200        
 11      5.7779690             -0.0187930        
 12      3.0431700              0.2409470        
 13      1.5702390              1.1423850        
 14      0.7949750             -1.1366200        
 15      0.3889800             -1.0774880        
 16      0.1573350              2.1602070        
 17      0.0665830             -1.1313370        
P   1
  1      0.0278440              1.0000000        
P   1
  1      5.6501000              1.0000000        
P   1
  1      1.4350000              1.0000000        
D   10
  1    244.3470000              0.0003510        
  2     72.2926000              0.0030850        
  3     27.6493000              0.0152580        
  4     11.7778000              0.0502450        
  5      5.3373100              0.1265230        
  6      2.5176000              0.2292800        
  7      1.1888100              0.3034060        
  8      0.5499670              0.3088670        
  9      0.2457380              0.2310890        
 10      0.1045040              0.1037090        
D   10
  1    244.3470000             -0.0003720        
  2     72.2926000             -0.0032770        
  3     27.6493000             -0.0162790        
  4     11.7778000             -0.0543160        
  5      5.3373100             -0.1399110        
  6      2.5176000             -0.2390000        
  7      1.1888100             -0.2538070        
  8      0.5499670             -0.0303220        
  9      0.2457380              0.3839470        
 10      0.1045040              0.4879820        
D   10
  1    244.3470000             -0.0005750        
  2     72.2926000             -0.0050770        
  3     27.6493000             -0.0255170        
  4     11.7778000             -0.0868340        
  5      5.3373100             -0.2285650        
  6      2.5176000             -0.3376560        
  7      1.1888100             -0.0917660        
  8      0.5499670              0.6199220        
  9      0.2457380              0.3937470        
 10      0.1045040             -0.6029800        
D   10
  1    244.3470000             -0.0007310        
  2     72.2926000             -0.0070950        
  3     27.6493000             -0.0331860        
  4     11.7778000             -0.1269420        
  5      5.3373100             -0.3250860        
  6      2.5176000             -0.3625000        
  7      1.1888100              0.6689130        
  8      0.5499670              0.6037430        
  9      0.2457380             -1.2164810        
 10      0.1045040              0.2817010        
D   1
  1      0.0411450              1.0000000        
D   1
  1      3.4437000              1.0000000        
D   1
  1      1.7638000              1.0000000        
F   1
  1      4.6999000              1.0000000        
F   1
  1      1.9221000              1.0000000        
F   1
  1      0.7861000              1.0000000        
F   1
  1      0.2516000              1.0000000        
G   1
  1      3.9718000              1.0000000        
G   1
  1      1.6355000              1.0000000        
G   1
  1      0.5564000              1.0000000        
H   1
  1      3.6433000              1.0000000        
H   1
  1      1.2875000              1.0000000


name: cc-pwCVQZ-DK
description: QZ3P All-electron Douglas-Kroll Core-Valence Quadruple Zeta + Polarization
elt: Cr
data:
CHROMIUM
S   21
  1 11016640.0000000            0.0000540        
  2 1649423.0000000             0.0001540        
  3 375358.9000000              0.0004120        
  4 106323.6000000              0.0010120        
  5  34689.7600000              0.0024600        
  6  12524.8300000              0.0060080        
  7   4885.7520000              0.0148700        
  8   2026.9180000              0.0363090        
  9    884.3645000              0.0833080        
 10    402.3170000              0.1673620        
 11    189.5271000              0.2661030        
 12     91.8609500              0.2761380        
 13     45.1247600              0.1429680        
 14     20.6251200              0.0695690        
 15     10.3197300              0.1153580        
 16      5.1577230              0.0760500        
 17      2.3126280              0.0089700        
 18      1.1030790             -0.0002630        
 19      0.4980420              0.0000710        
 20      0.1182470             -0.0000110        
 21      0.0573560              0.0000400        
S   21
  1 11016640.0000000           -0.0000300        
  2 1649423.0000000            -0.0000860        
  3 375358.9000000             -0.0002280        
  4 106323.6000000             -0.0005620        
  5  34689.7600000             -0.0013670        
  6  12524.8300000             -0.0033520        
  7   4885.7520000             -0.0083390        
  8   2026.9180000             -0.0206480        
  9    884.3645000             -0.0485430        
 10    402.3170000             -0.1032880        
 11    189.5271000             -0.1836520        
 12     91.8609500             -0.2426780        
 13     45.1247600             -0.1497000        
 14     20.6251200              0.2061910        
 15     10.3197300              0.5462950        
 16      5.1577230              0.3519330        
 17      2.3126280              0.0434510        
 18      1.1030790             -0.0034870        
 19      0.4980420              0.0000520        
 20      0.1182470             -0.0001960        
 21      0.0573560              0.0002860        
S   21
  1 11016640.0000000            0.0000060        
  2 1649423.0000000             0.0000180        
  3 375358.9000000              0.0000490        
  4 106323.6000000              0.0001210        
  5  34689.7600000              0.0002940        
  6  12524.8300000              0.0007250        
  7   4885.7520000              0.0018090        
  8   2026.9180000              0.0045400        
  9    884.3645000              0.0108370        
 10    402.3170000              0.0241590        
 11    189.5271000              0.0459620        
 12     91.8609500              0.0698970        
 13     45.1247600              0.0466910        
 14     20.6251200             -0.0999290        
 15     10.3197300             -0.3685700        
 16      5.1577230             -0.3424530        
 17      2.3126280              0.2985130        
 18      1.1030790              0.6976530        
 19      0.4980420              0.2956920        
 20      0.1182470              0.0095900        
 21      0.0573560             -0.0010750        
S   21
  1 11016640.0000000           -0.0000010        
  2 1649423.0000000            -0.0000040        
  3 375358.9000000             -0.0000110        
  4 106323.6000000             -0.0000280        
  5  34689.7600000             -0.0000670        
  6  12524.8300000             -0.0001660        
  7   4885.7520000             -0.0004120        
  8   2026.9180000             -0.0010390        
  9    884.3645000             -0.0024630        
 10    402.3170000             -0.0055480        
 11    189.5271000             -0.0104380        
 12     91.8609500             -0.0162390        
 13     45.1247600             -0.0103850        
 14     20.6251200              0.0224250        
 15     10.3197300              0.0924750        
 16      5.1577230              0.0833650        
 17      2.3126280             -0.0821470        
 18      1.1030790             -0.2590250        
 19      0.4980420             -0.2041760        
 20      0.1182470              0.3777770        
 21      0.0573560              0.5588970        
S   21
  1 11016640.0000000           -0.0000030        
  2 1649423.0000000            -0.0000080        
  3 375358.9000000             -0.0000220        
  4 106323.6000000             -0.0000550        
  5  34689.7600000             -0.0001310        
  6  12524.8300000             -0.0003380        
  7   4885.7520000             -0.0007860        
  8   2026.9180000             -0.0021660        
  9    884.3645000             -0.0045870        
 10    402.3170000             -0.0119040        
 11    189.5271000             -0.0184920        
 12     91.8609500             -0.0378720        
 13     45.1247600             -0.0093630        
 14     20.6251200              0.0177020        
 15     10.3197300              0.2547990        
 16      5.1577230              0.0707240        
 17      2.3126280             -0.0257070        
 18      1.1030790             -1.1363580        
 19      0.4980420              0.6281400        
 20      0.1182470              1.8833370        
 21      0.0573560             -1.3929490        
S   21
  1 11016640.0000000           -0.0000050        
  2 1649423.0000000            -0.0000130        
  3 375358.9000000             -0.0000350        
  4 106323.6000000             -0.0000870        
  5  34689.7600000             -0.0002080        
  6  12524.8300000             -0.0005320        
  7   4885.7520000             -0.0012540        
  8   2026.9180000             -0.0033990        
  9    884.3645000             -0.0073610        
 10    402.3170000             -0.0186100        
 11    189.5271000             -0.0301280        
 12     91.8609500             -0.0587280        
 13     45.1247600             -0.0190270        
 14     20.6251200              0.0388480        
 15     10.3197300              0.4187920        
 16      5.1577230              0.1853590        
 17      2.3126280             -0.5215690        
 18      1.1030790             -1.8075870        
 19      0.4980420              2.8725050        
 20      0.1182470             -1.3448820        
 21      0.0573560             -0.7200920        
S   21
  1 11016640.0000000           -0.0000050        
  2 1649423.0000000            -0.0000150        
  3 375358.9000000             -0.0000420        
  4 106323.6000000             -0.0000990        
  5  34689.7600000             -0.0002590        
  6  12524.8300000             -0.0005660        
  7   4885.7520000             -0.0016830        
  8   2026.9180000             -0.0033080        
  9    884.3645000             -0.0107390        
 10    402.3170000             -0.0160340        
 11    189.5271000             -0.0511580        
 12     91.8609500             -0.0331430        
 13     45.1247600             -0.1014980        
 14     20.6251200              0.2332710        
 15     10.3197300              0.2014630        
 16      5.1577230              0.8803140        
 17      2.3126280             -3.1030870        
 18      1.1030790              2.3290390        
 19      0.4980420              0.4451650        
 20      0.1182470             -3.8882070        
 21      0.0573560              5.5615460        
S   1
  1      0.0257600              1.0000000        
S   1
  1      4.7991000              1.0000000        
S   1
  1      1.4287000              1.0000000        
P   17
  1  31539.8900000              0.0000460        
  2   7460.2340000              0.0001840        
  3   2422.6220000              0.0007930        
  4    927.7547000              0.0030740        
  5    394.8041000              0.0107650        
  6    180.8027000              0.0327480        
  7     87.4239300              0.0849950        
  8     44.0342700              0.1788510        
  9     22.7770400              0.2896740        
 10     12.0154700              0.3283500        
 11      6.4117510              0.2090050        
 12      3.3811360              0.0543940        
 13      1.7470540              0.0020050        
 14      0.8850040             -0.0014380        
 15      0.4330280             -0.0009110        
 16      0.1739620             -0.0000520        
 17      0.0728230             -0.0000120        
P   17
  1  31539.8900000             -0.0000160        
  2   7460.2340000             -0.0000640        
  3   2422.6220000             -0.0002750        
  4    927.7547000             -0.0010700        
  5    394.8041000             -0.0037650        
  6    180.8027000             -0.0116070        
  7     87.4239300             -0.0308030        
  8     44.0342700             -0.0671020        
  9     22.7770400             -0.1130240        
 10     12.0154700             -0.1359580        
 11      6.4117510             -0.0478150        
 12      3.3811360              0.1907310        
 13      1.7470540              0.4011900        
 14      0.8850040              0.3827710        
 15      0.4330280              0.1674310        
 16      0.1739620              0.0180400        
 17      0.0728230             -0.0006540        
P   17
  1  31539.8900000              0.0000040        
  2   7460.2340000              0.0000150        
  3   2422.6220000              0.0000650        
  4    927.7547000              0.0002520        
  5    394.8041000              0.0008930        
  6    180.8027000              0.0027370        
  7     87.4239300              0.0073310        
  8     44.0342700              0.0158860        
  9     22.7770400              0.0271800        
 10     12.0154700              0.0324270        
 11      6.4117510              0.0108710        
 12      3.3811360             -0.0565060        
 13      1.7470540             -0.1144660        
 14      0.8850040             -0.1329640        
 15      0.4330280              0.0047140        
 16      0.1739620              0.3440550        
 17      0.0728230              0.5412790        
P   17
  1  31539.8900000              0.0000050        
  2   7460.2340000              0.0000190        
  3   2422.6220000              0.0000830        
  4    927.7547000              0.0003250        
  5    394.8041000              0.0011440        
  6    180.8027000              0.0035350        
  7     87.4239300              0.0093750        
  8     44.0342700              0.0205310        
  9     22.7770400              0.0346480        
 10     12.0154700              0.0423890        
 11      6.4117510              0.0133730        
 12      3.3811360             -0.0684010        
 13      1.7470540             -0.1487620        
 14      0.8850040             -0.1732490        
 15      0.4330280             -0.0207630        
 16      0.1739620              0.5782720        
 17      0.0728230              0.5031920        
P   17
  1  31539.8900000              0.0000100        
  2   7460.2340000              0.0000390        
  3   2422.6220000              0.0001790        
  4    927.7547000              0.0006500        
  5    394.8041000              0.0024720        
  6    180.8027000              0.0070230        
  7     87.4239300              0.0204050        
  8     44.0342700              0.0402100        
  9     22.7770400              0.0784580        
 10     12.0154700              0.0794720        
 11      6.4117510              0.0588510        
 12      3.3811360             -0.2240270        
 13      1.7470540             -0.3702630        
 14      0.8850040             -0.4376700        
 15      0.4330280              1.1645370        
 16      0.1739620              0.4154860        
 17      0.0728230             -0.9143280        
P   17
  1  31539.8900000             -0.0000130        
  2   7460.2340000             -0.0000540        
  3   2422.6220000             -0.0002070        
  4    927.7547000             -0.0009320        
  5    394.8041000             -0.0027990        
  6    180.8027000             -0.0101970        
  7     87.4239300             -0.0225810        
  8     44.0342700             -0.0608530        
  9     22.7770400             -0.0779640        
 10     12.0154700             -0.1676820        
 11      6.4117510             -0.0107790        
 12      3.3811360              0.3109570        
 13      1.7470540              1.0976240        
 14      0.8850040             -1.2795560        
 15      0.4330280             -0.8569200        
 16      0.1739620              2.0411650        
 17      0.0728230             -1.1202710        
P   1
  1      0.0299520              1.0000000        
P   1
  1      6.4552000              1.0000000        
P   1
  1      1.6531000              1.0000000        
D   10
  1    281.3120000              0.0003470        
  2     83.1885000              0.0030700        
  3     31.8396000              0.0153950        
  4     13.6026000              0.0513190        
  5      6.1829800              0.1296680        
  6      2.9227000              0.2347810        
  7      1.3821600              0.3080430        
  8      0.6394600              0.3080560        
  9      0.2848980              0.2239250        
 10      0.1200450              0.0946790        
D   10
  1    281.3120000             -0.0003940        
  2     83.1885000             -0.0034940        
  3     31.8396000             -0.0175900        
  4     13.6026000             -0.0596210        
  5      6.1829800             -0.1545140        
  6      2.9227000             -0.2603230        
  7      1.3821600             -0.2500610        
  8      0.6394600              0.0227810        
  9      0.2848980              0.4192340        
 10      0.1200450              0.4520610        
D   10
  1    281.3120000             -0.0005630        
  2     83.1885000             -0.0050080        
  3     31.8396000             -0.0254920        
  4     13.6026000             -0.0881820        
  5      6.1829800             -0.2353990        
  6      2.9227000             -0.3396410        
  7      1.3821600             -0.0376150        
  8      0.6394600              0.6602460        
  9      0.2848980              0.2965440        
 10      0.1200450             -0.6557610        
D   10
  1    281.3120000              0.0007970        
  2     83.1885000              0.0076390        
  3     31.8396000              0.0369700        
  4     13.6026000              0.1424390        
  5      6.1829800              0.3758710        
  6      2.9227000              0.3231850        
  7      1.3821600             -0.8334330        
  8      0.6394600             -0.3730540        
  9      0.2848980              1.2135530        
 10      0.1200450             -0.4829450        
D   1
  1      0.0462290              1.0000000        
D   1
  1      4.0848000              1.0000000        
D   1
  1      2.1405000              1.0000000        
F   1
  1      5.6633000              1.0000000        
F   1
  1      2.3365000              1.0000000        
F   1
  1      0.9639000              1.0000000        
F   1
  1      0.3142000              1.0000000        
G   1
  1      4.6690000              1.0000000        
G   1
  1      1.9538000              1.0000000        
G   1
  1      0.6848000              1.0000000        
H   1
  1      4.4133000              1.0000000        
H   1
  1      1.6472000              1.0000000


name: cc-pwCVQZ-DK
description: QZ3P All-electron Douglas-Kroll Core-Valence Quadruple Zeta + Polarization
elt: Mn
data:
MANGANESE
S   21
  1 12210500.0000000            0.0000580        
  2 1828157.0000000             0.0001650        
  3 416030.3000000              0.0004380        
  4 117843.6000000              0.0010700        
  5  38448.1400000              0.0025760        
  6  13881.7100000              0.0062270        
  7   5415.0020000              0.0152550        
  8   2246.4600000              0.0369930        
  9    980.1463000              0.0847020        
 10    445.8952000              0.1707500        
 11    210.0558000              0.2743970        
 12    101.8046000              0.2920430        
 13     50.0112600              0.1562220        
 14     22.9393900              0.0570620        
 15     11.5226400              0.0808350        
 16      5.7763380              0.0554240        
 17      2.6259590              0.0066290        
 18      1.2603220             -0.0002790        
 19      0.5771300             -0.0000720        
 20      0.1365820             -0.0000030        
 21      0.0635350              0.0000180        
S   21
  1 12210500.0000000           -0.0000280        
  2 1828157.0000000            -0.0000790        
  3 416030.3000000             -0.0002090        
  4 117843.6000000             -0.0005120        
  5  38448.1400000             -0.0012360        
  6  13881.7100000             -0.0030000        
  7   5415.0020000             -0.0073920        
  8   2246.4600000             -0.0181990        
  9    980.1463000             -0.0427750        
 10    445.8952000             -0.0916740        
 11    210.0558000             -0.1657000        
 12    101.8046000             -0.2259060        
 13     50.0112600             -0.1460020        
 14     22.9393900              0.2013410        
 15     11.5226400              0.5511090        
 16      5.7763380              0.3649400        
 17      2.6259590              0.0468620        
 18      1.2603220             -0.0049100        
 19      0.5771300             -0.0008110        
 20      0.1365820             -0.0002310        
 21      0.0635350              0.0002610        
S   21
  1 12210500.0000000            0.0000070        
  2 1828157.0000000             0.0000190        
  3 416030.3000000              0.0000510        
  4 117843.6000000              0.0001250        
  5  38448.1400000              0.0003020        
  6  13881.7100000              0.0007350        
  7   5415.0020000              0.0018160        
  8   2246.4600000              0.0045200        
  9    980.1463000              0.0107630        
 10    445.8952000              0.0239650        
 11    210.0558000              0.0458380        
 12    101.8046000              0.0701710        
 13     50.0112600              0.0489920        
 14     22.9393900             -0.0969430        
 15     11.5226400             -0.3667830        
 16      5.7763380             -0.3506890        
 17      2.6259590              0.2826890        
 18      1.2603220              0.6877440        
 19      0.5771300              0.3208270        
 20      0.1365820              0.0142970        
 21      0.0635350             -0.0039610        
S   21
  1 12210500.0000000           -0.0000020        
  2 1828157.0000000            -0.0000040        
  3 416030.3000000             -0.0000110        
  4 117843.6000000             -0.0000280        
  5  38448.1400000             -0.0000670        
  6  13881.7100000             -0.0001640        
  7   5415.0020000             -0.0004050        
  8   2246.4600000             -0.0010090        
  9    980.1463000             -0.0023990        
 10    445.8952000             -0.0053570        
 11    210.0558000             -0.0102290        
 12    101.8046000             -0.0157930        
 13     50.0112600             -0.0109470        
 14     22.9393900              0.0218960        
 15     11.5226400              0.0881540        
 16      5.7763380              0.0858360        
 17      2.6259590             -0.0805790        
 18      1.2603220             -0.2334220        
 19      0.5771300             -0.2180350        
 20      0.1365820              0.3213000        
 21      0.0635350              0.5871860        
S   21
  1 12210500.0000000           -0.0000030        
  2 1828157.0000000            -0.0000090        
  3 416030.3000000             -0.0000230        
  4 117843.6000000             -0.0000570        
  5  38448.1400000             -0.0001340        
  6  13881.7100000             -0.0003410        
  7   5415.0020000             -0.0007900        
  8   2246.4600000             -0.0021450        
  9    980.1463000             -0.0045600        
 10    445.8952000             -0.0117340        
 11    210.0558000             -0.0185180        
 12    101.8046000             -0.0375870        
 13     50.0112600             -0.0109190        
 14     22.9393900              0.0172930        
 15     11.5226400              0.2491810        
 16      5.7763380              0.0803670        
 17      2.6259590             -0.0187700        
 18      1.2603220             -1.0968980        
 19      0.5771300              0.5280050        
 20      0.1365820              1.8057720        
 21      0.0635350             -1.1683710        
S   21
  1 12210500.0000000           -0.0000050        
  2 1828157.0000000            -0.0000140        
  3 416030.3000000             -0.0000370        
  4 117843.6000000             -0.0000910        
  5  38448.1400000             -0.0002130        
  6  13881.7100000             -0.0005440        
  7   5415.0020000             -0.0012540        
  8   2246.4600000             -0.0034240        
  9    980.1463000             -0.0072400        
 10    445.8952000             -0.0187740        
 11    210.0558000             -0.0294560        
 12    101.8046000             -0.0606780        
 13     50.0112600             -0.0172460        
 14     22.9393900              0.0278370        
 15     11.5226400              0.4339450        
 16      5.7763380              0.1645920        
 17      2.6259590             -0.4097160        
 18      1.2603220             -1.9645600        
 19      0.5771300              2.8395490        
 20      0.1365820             -0.9662380        
 21      0.0635350             -1.1393420        
S   21
  1 12210500.0000000           -0.0000060        
  2 1828157.0000000            -0.0000160        
  3 416030.3000000             -0.0000440        
  4 117843.6000000             -0.0001040        
  5  38448.1400000             -0.0002660        
  6  13881.7100000             -0.0005870        
  7   5415.0020000             -0.0016770        
  8   2246.4600000             -0.0034070        
  9    980.1463000             -0.0105060        
 10    445.8952000             -0.0167510        
 11    210.0558000             -0.0495550        
 12    101.8046000             -0.0381420        
 13     50.0112600             -0.0951520        
 14     22.9393900              0.2112910        
 15     11.5226400              0.2315620        
 16      5.7763380              0.8752810        
 17      2.6259590             -2.9729550        
 18      1.2603220              1.9405330        
 19      0.5771300              0.8065440        
 20      0.1365820             -3.8652740        
 21      0.0635350              5.3654950        
S   1
  1      0.0285210              1.0000000        
S   1
  1      5.3389000              1.0000000        
S   1
  1      1.6013000              1.0000000        
P   17
  1  35005.1200000              0.0000480        
  2   8279.4620000              0.0001870        
  3   2688.4650000              0.0007950        
  4   1029.4900000              0.0030450        
  5    438.0708000              0.0106220        
  6    200.6153000              0.0323120        
  7     97.0076900              0.0841060        
  8     48.8705200              0.1778670        
  9     25.2928100              0.2896740        
 10     13.3538200              0.3295160        
 11      7.1317860              0.2101060        
 12      3.7643650              0.0543090        
 13      1.9462650              0.0009210        
 14      0.9854550             -0.0025450        
 15      0.4818650             -0.0013860        
 16      0.18822219            -0.0001010        
 17      0.07753957            -0.0000060        
P   17
  1  35005.1200000             -0.0000170        
  2   8279.4620000             -0.0000650        
  3   2688.4650000             -0.0002760        
  4   1029.4900000             -0.0010630        
  5    438.0708000             -0.0037280        
  6    200.6153000             -0.0114960        
  7     97.0076900             -0.0306030        
  8     48.8705200             -0.0670670        
  9     25.2928100             -0.1137030        
 10     13.3538200             -0.1370730        
 11      7.1317860             -0.0467790        
 12      3.7643650              0.1938100        
 13      1.9462650              0.4032800        
 14      0.9854550              0.3802000        
 15      0.4818650              0.1659910        
 16      0.18822219             0.0176060        
 17      0.07753957            -0.0009790        
P   17
  1  35005.1200000             -0.0000040        
  2   8279.4620000             -0.0000150        
  3   2688.4650000             -0.0000640        
  4   1029.4900000             -0.0002440        
  5    438.0708000             -0.0008620        
  6    200.6153000             -0.0026400        
  7     97.0076900             -0.0071040        
  8     48.8705200             -0.0154490        
  9     25.2928100             -0.0266700        
 10     13.3538200             -0.0317120        
 11      7.1317860             -0.0106380        
 12      3.7643650              0.0556750        
 13      1.9462650              0.1103720        
 14      0.9854550              0.1279880        
 15      0.4818650             -0.0059250        
 16      0.18822219            -0.3403060        
 17      0.07753957            -0.5399780        
P   17
  1  35005.1200000              0.0000050        
  2   8279.4620000              0.0000200        
  3   2688.4650000              0.0000870        
  4   1029.4900000              0.0003310        
  5    438.0708000              0.0011680        
  6    200.6153000              0.0035830        
  7     97.0076900              0.0096140        
  8     48.8705200              0.0209630        
  9     25.2928100              0.0360950        
 10     13.3538200              0.0432600        
 11      7.1317860              0.0145930        
 12      3.7643650             -0.0739170        
 13      1.9462650             -0.1508130        
 14      0.9854550             -0.1784340        
 15      0.4818650              0.0078630        
 16      0.18822219             0.5895700        
 17      0.07753957             0.4812390        
P   17
  1  35005.1200000              0.0000110        
  2   8279.4620000              0.0000420        
  3   2688.4650000              0.0001890        
  4   1029.4900000              0.0006700        
  5    438.0708000              0.0025720        
  6    200.6153000              0.0072120        
  7     97.0076900              0.0213320        
  8     48.8705200              0.0415820        
  9     25.2928100              0.0832960        
 10     13.3538200              0.0812140        
 11      7.1317860              0.0663900        
 12      3.7643650             -0.2544520        
 13      1.9462650             -0.3788380        
 14      0.9854550             -0.3911210        
 15      0.4818650              1.1724280        
 16      0.18822219             0.3433290        
 17      0.07753957            -0.8913400        
P   17
  1  35005.1200000             -0.0000150        
  2   8279.4620000             -0.0000600        
  3   2688.4650000             -0.0002330        
  4   1029.4900000             -0.0009920        
  5    438.0708000             -0.0031070        
  6    200.6153000             -0.0108160        
  7     97.0076900             -0.0253500        
  8     48.8705200             -0.0647510        
  9     25.2928100             -0.0906570        
 10     13.3538200             -0.1700890        
 11      7.1317860             -0.0386240        
 12      3.7643650              0.4446210        
 13      1.9462650              1.0592000        
 14      0.9854550             -1.5463780        
 15      0.4818650             -0.4568530        
 16      0.18822219             1.7988000        
 17      0.07753957            -1.0962300        
P   1
  1      0.03154945             1.0000000        
P   1
  1      7.3423000              1.0000000        
P   1
  1      1.9340000              1.0000000        
D   10
  1    313.1090000              0.0003590        
  2     92.5276000              0.0031830        
  3     35.4191000              0.0160470        
  4     15.1577000              0.0537480        
  5      6.9096400              0.1349810        
  6      3.2725600              0.2407980        
  7      1.5493600              0.3099540        
  8      0.7170940              0.3033480        
  9      0.3193100              0.2162990        
 10      0.1341570              0.0917180        
D   10
  1    313.1090000             -0.0003660        
  2     92.5276000             -0.0032550        
  3     35.4191000             -0.0164410        
  4     15.1577000             -0.0558650        
  5      6.9096400             -0.1438070        
  6      3.2725600             -0.2453650        
  7      1.5493600             -0.2370140        
  8      0.7170940              0.0168210        
  9      0.3193100              0.3826800        
 10      0.1341570              0.4703680        
D   10
  1    313.1090000             -0.0005780        
  2     92.5276000             -0.0051700        
  3     35.4191000             -0.0263440        
  4     15.1577000             -0.0919750        
  5      6.9096400             -0.2428130        
  6      3.2725600             -0.3418720        
  7      1.5493600             -0.0269540        
  8      0.7170940              0.6038520        
  9      0.3193100              0.3360190        
 10      0.1341570             -0.5511860        
D   10
  1    313.1090000             -0.0007350        
  2     92.5276000             -0.0066420        
  3     35.4191000             -0.0338840        
  4     15.1577000             -0.1226080        
  5      6.9096400             -0.3500800        
  6      3.2725600             -0.3191570        
  7      1.5493600              0.7228530        
  8      0.7170940              0.4559420        
  9      0.3193100             -1.0589930        
 10      0.1341570              0.1545530        
D   1
  1      0.0514000              1.0000000        
D   1
  1      4.6851000              1.0000000        
D   1
  1      2.4217000              1.0000000        
F   1
  1      6.6540000              1.0000000        
F   1
  1      2.7676000              1.0000000        
F   1
  1      1.1511000              1.0000000        
F   1
  1      0.3812000              1.0000000        
G   1
  1      5.4683000              1.0000000        
G   1
  1      2.3327000              1.0000000        
G   1
  1      0.8520000              1.0000000        
H   1
  1      5.1185000              1.0000000        
H   1
  1      1.9660000              1.0000000


name: cc-pwCVQZ-DK
description: QZ3P All-electron Douglas-Kroll Core-Valence Quadruple Zeta + Polarization
elt: Fe
data:
IRON
S   21
  1      0.1327714E+08          0.0000600        
  2 1987888.0000000             0.0001700        
  3 452387.1000000              0.0004500        
  4 128143.7000000              0.0010930        
  5  41809.1700000              0.0026130        
  6  15095.3300000              0.0062600        
  7   5888.4380000              0.0151950        
  8   2442.8760000              0.0365770        
  9   1065.8570000              0.0833750        
 10    484.9096000              0.1676340        
 11    228.4585000              0.2688600        
 12    110.7453000              0.2852350        
 13     54.4311600              0.1525320        
 14     25.0109600              0.0633810        
 15     12.5926200              0.0967240        
 16      6.3232020              0.0654700        
 17      2.8833840              0.0079630        
 18      1.3828680             -0.0002530        
 19      0.6322010             -0.0000320        
 20      0.1492380             -0.0000070        
 21      0.0684940              0.0000190        
S   21
  1      0.1327714E+08         -0.0000310        
  2 1987888.0000000            -0.0000880        
  3 452387.1000000             -0.0002320        
  4 128143.7000000             -0.0005650        
  5  41809.1700000             -0.0013530        
  6  15095.3300000             -0.0032560        
  7   5888.4380000             -0.0079480        
  8   2442.8760000             -0.0194130        
  9   1065.8570000             -0.0453820        
 10    484.9096000             -0.0967990        
 11    228.4585000             -0.1739720        
 12    110.7453000             -0.2350940        
 13     54.4311600             -0.1511880        
 14     25.0109600              0.2012780        
 15     12.5926200              0.5494000        
 16      6.3232020              0.3609330        
 17      2.8833840              0.0465600        
 18      1.3828680             -0.0040160        
 19      0.6322010             -0.0004730        
 20      0.1492380             -0.0002090        
 21      0.0684940              0.0002150        
S   21
  1      0.1327714E+08          0.0000070        
  2 1987888.0000000             0.0000210        
  3 452387.1000000              0.0000540        
  4 128143.7000000              0.0001320        
  5  41809.1700000              0.0003160        
  6  15095.3300000              0.0007640        
  7   5888.4380000              0.0018690        
  8   2442.8760000              0.0046210        
  9   1065.8570000              0.0109610        
 10    484.9096000              0.0243640        
 11    228.4585000              0.0465960        
 12    110.7453000              0.0713740        
 13     54.4311600              0.0498900        
 14     25.0109600             -0.0995880        
 15     12.5926200             -0.3739230        
 16      6.3232020             -0.3489040        
 17      2.8833840              0.2920800        
 18      1.3828680              0.6871120        
 19      0.6322010              0.3152790        
 20      0.1492380              0.0138550        
 21      0.0684940             -0.0034390        
S   21
  1      0.1327714E+08         -0.0000020        
  2 1987888.0000000            -0.0000040        
  3 452387.1000000             -0.0000120        
  4 128143.7000000             -0.0000290        
  5  41809.1700000             -0.0000690        
  6  15095.3300000             -0.0001670        
  7   5888.4380000             -0.0004080        
  8   2442.8760000             -0.0010090        
  9   1065.8570000             -0.0023900        
 10    484.9096000             -0.0053290        
 11    228.4585000             -0.0101780        
 12    110.7453000             -0.0157200        
 13     54.4311600             -0.0109200        
 14     25.0109600              0.0220630        
 15     12.5926200              0.0880750        
 16      6.3232020              0.0836500        
 17      2.8833840             -0.0817500        
 18      1.3828680             -0.2293920        
 19      0.6322010             -0.2098240        
 20      0.1492380              0.3095030        
 21      0.0684940              0.5849850        
S   21
  1      0.1327714E+08         -0.0000030        
  2 1987888.0000000            -0.0000090        
  3 452387.1000000             -0.0000240        
  4 128143.7000000             -0.0000590        
  5  41809.1700000             -0.0001370        
  6  15095.3300000             -0.0003440        
  7   5888.4380000             -0.0007940        
  8   2442.8760000             -0.0021300        
  9   1065.8570000             -0.0045440        
 10    484.9096000             -0.0115700        
 11    228.4585000             -0.0184810        
 12    110.7453000             -0.0369330        
 13     54.4311600             -0.0115290        
 14     25.0109600              0.0192290        
 15     12.5926200              0.2443040        
 16      6.3232020              0.0827020        
 17      2.8833840             -0.0399450        
 18      1.3828680             -1.0397040        
 19      0.6322010              0.4953030        
 20      0.1492380              1.6957440        
 21      0.0684940             -0.9636980        
S   21
  1      0.1327714E+08         -0.0000050        
  2 1987888.0000000            -0.0000150        
  3 452387.1000000             -0.0000390        
  4 128143.7000000             -0.0000960        
  5  41809.1700000             -0.0002240        
  6  15095.3300000             -0.0005620        
  7   5888.4380000             -0.0013010        
  8   2442.8760000             -0.0034750        
  9   1065.8570000             -0.0074620        
 10    484.9096000             -0.0188700        
 11    228.4585000             -0.0305680        
 12    110.7453000             -0.0602890        
 13     54.4311600             -0.0205920        
 14     25.0109600              0.0357860        
 15     12.5926200              0.4216870        
 16      6.3232020              0.2092330        
 17      2.8833840             -0.4975030        
 18      1.3828680             -1.8683190        
 19      0.6322010              2.7545840        
 20      0.1492380             -0.8331090        
 21      0.0684940             -1.2311520        
S   21
  1      0.1327714E+08         -0.0000060        
  2 1987888.0000000            -0.0000170        
  3 452387.1000000             -0.0000450        
  4 128143.7000000             -0.0001070        
  5  41809.1700000             -0.0002720        
  6  15095.3300000             -0.0005940        
  7   5888.4380000             -0.0016900        
  8   2442.8760000             -0.0033830        
  9   1065.8570000             -0.0105020        
 10    484.9096000             -0.0164400        
 11    228.4585000             -0.0496220        
 12    110.7453000             -0.0365410        
 13     54.4311600             -0.0969090        
 14     25.0109600              0.2140750        
 15     12.5926200              0.2010450        
 16      6.3232020              0.9699410        
 17      2.8833840             -3.1426280        
 18      1.3828680              2.1267050        
 19      0.6322010              0.6989570        
 20      0.1492380             -3.7298890        
 21      0.0684940              5.1457330        
S   1
  1      0.0303810              1.0000000        
S   1
  1      5.7900000              1.0000000        
S   1
  1      1.7335000              1.0000000        
P   17
  1  38282.0500000              0.0000510        
  2   9061.5560000              0.0001930        
  3   2944.4500000              0.0008070        
  4   1128.1580000              0.0030540        
  5    480.3380000              0.0105910        
  6    220.1368000              0.0321420        
  7    106.5482000              0.0836490        
  8     53.7426200              0.1771500        
  9     27.8631800              0.2890860        
 10     14.7438200              0.3291570        
 11      7.8933510              0.2104230        
 12      4.1794970              0.0551740        
 13      2.1656690              0.0015110        
 14      1.0972400             -0.0021830        
 15      0.5360850             -0.0012180        
 16      0.2024530             -0.0000850        
 17      0.0816950             -0.0000020        
P   17
  1  38282.0500000             -0.0000180        
  2   9061.5560000             -0.0000680        
  3   2944.4500000             -0.0002850        
  4   1128.1580000             -0.0010820        
  5    480.3380000             -0.0037730        
  6    220.1368000             -0.0116110        
  7    106.5482000             -0.0309030        
  8     53.7426200             -0.0678610        
  9     27.8631800             -0.1153490        
 10     14.7438200             -0.1389140        
 11      7.8933510             -0.0466250        
 12      4.1794970              0.1946700        
 13      2.1656690              0.4040100        
 14      1.0972400              0.3786780        
 15      0.5360850              0.1665960        
 16      0.2024530              0.0175340        
 17      0.0816950             -0.0013550        
P   17
  1  38282.0500000              0.0000040        
  2   9061.5560000              0.0000150        
  3   2944.4500000              0.0000620        
  4   1128.1580000              0.0002350        
  5    480.3380000              0.0008270        
  6    220.1368000              0.0025220        
  7    106.5482000              0.0067960        
  8     53.7426200              0.0147820        
  9     27.8631800              0.0256530        
 10     14.7438200              0.0303130        
 11      7.8933510              0.0102010        
 12      4.1794970             -0.0531930        
 13      2.1656690             -0.1036780        
 14      1.0972400             -0.1209980        
 15      0.5360850              0.0031080        
 16      0.2024530              0.3283150        
 17      0.0816950              0.5422430        
P   17
  1  38282.0500000              0.0000060        
  2   9061.5560000              0.0000230        
  3   2944.4500000              0.0000960        
  4   1128.1580000              0.0003580        
  5    480.3380000              0.0012700        
  6    220.1368000              0.0038420        
  7    106.5482000              0.0104410        
  8     53.7426200              0.0224790        
  9     27.8631800              0.0395990        
 10     14.7438200              0.0459830        
 11      7.8933510              0.0175790        
 12      4.1794970             -0.0850280        
 13      2.1656690             -0.1609090        
 14      1.0972400             -0.1945280        
 15      0.5360850              0.0582050        
 16      0.2024530              0.6259810        
 17      0.0816950              0.4271460        
P   17
  1  38282.0500000              0.0000130        
  2   9061.5560000              0.0000460        
  3   2944.4500000              0.0002060        
  4   1128.1580000              0.0007160        
  5    480.3380000              0.0027590        
  6    220.1368000              0.0076430        
  7    106.5482000              0.0228730        
  8     53.7426200              0.0440810        
  9     27.8631800              0.0899840        
 10     14.7438200              0.0853400        
 11      7.8933510              0.0772780        
 12      4.1794970             -0.2972450        
 13      2.1656690             -0.4067180        
 14      1.0972400             -0.3121550        
 15      0.5360850              1.2052550        
 16      0.2024530              0.1894990        
 17      0.0816950             -0.8424540        
P   17
  1  38282.0500000             -0.0000160        
  2   9061.5560000             -0.0000650        
  3   2944.4500000             -0.0002560        
  4   1128.1580000             -0.0010400        
  5    480.3380000             -0.0033700        
  6    220.1368000             -0.0112410        
  7    106.5482000             -0.0275820        
  8     53.7426200             -0.0670210        
  9     27.8631800             -0.1006940        
 10     14.7438200             -0.1703110        
 11      7.8933510             -0.0783230        
 12      4.1794970              0.6077450        
 13      2.1656690              0.9645760        
 14      1.0972400             -1.7927730        
 15      0.5360850             -0.0262890        
 16      0.2024530              1.5460990        
 17      0.0816950             -1.0949690        
P   1
  1      0.0326140              1.0000000        
P   1
  1      8.3687000              1.0000000        
P   1
  1      2.2601000              1.0000000        
D   10
  1    350.9950000              0.0003590        
  2    103.6670000              0.0031850        
  3     39.7043000              0.0161760        
  4     17.0310000              0.0545530        
  5      7.7890200              0.1367300        
  6      3.6995500              0.2420240        
  7      1.7553200              0.3084870        
  8      0.8128450              0.3004030        
  9      0.3614410              0.2164630        
 10      0.1513460              0.0943300        
D   10
  1    350.9950000             -0.0003950        
  2    103.6670000             -0.0035300        
  3     39.7043000             -0.0179410        
  4     17.0310000             -0.0614610        
  5      7.7890200             -0.1583160        
  6      3.6995500             -0.2693400        
  7      1.7553200             -0.2412260        
  8      0.8128450              0.0585700        
  9      0.3614410              0.4116150        
 10      0.1513460              0.4361600        
D   10
  1    350.9950000             -0.0005700        
  2    103.6670000             -0.0051170        
  3     39.7043000             -0.0262340        
  4     17.0310000             -0.0920690        
  5      7.7890200             -0.2464400        
  6      3.6995500             -0.3502150        
  7      1.7553200              0.0307360        
  8      0.8128450              0.6477360        
  9      0.3614410              0.2400240        
 10      0.1513460             -0.6048030        
D   10
  1    350.9950000             -0.0008190        
  2    103.6670000             -0.0070130        
  3     39.7043000             -0.0378470        
  4     17.0310000             -0.1314140        
  5      7.7890200             -0.4094000        
  6      3.6995500             -0.2893670        
  7      1.7553200              0.9175770        
  8      0.8128450              0.2020840        
  9      0.3614410             -1.0761670        
 10      0.1513460              0.4017690        
D   1
  1      0.0575130              1.0000000        
D   1
  1      5.4967000              1.0000000        
D   1
  1      2.8925000              1.0000000        
F   1
  1      7.7828000              1.0000000        
F   1
  1      3.2584000              1.0000000        
F   1
  1      1.3641000              1.0000000        
F   1
  1      0.4564000              1.0000000        
G   1
  1      6.3816000              1.0000000        
G   1
  1      2.7717000              1.0000000        
G   1
  1      1.0505000              1.0000000        
H   1
  1      5.8964000              1.0000000        
H   1
  1      2.3448000              1.0000000


name: cc-pwCVQZ-DK
description: QZ3P All-electron Douglas-Kroll Core-Valence Quadruple Zeta + Polarization
elt: Co
data:
COBALT
S   21
  1      0.1437022E+08          0.0000630        
  2 2151540.0000000             0.0001780        
  3 489625.7000000              0.0004680        
  4 138690.3000000              0.0011300        
  5  45249.8900000              0.0026830        
  6  16337.6200000              0.0063740        
  7   6373.0730000              0.0153380        
  8   2643.9580000              0.0366560        
  9   1153.6140000              0.0831830        
 10    524.8606000              0.1668550        
 11    247.3069000              0.2672920        
 12    119.9063000              0.2833740        
 13     58.9642900              0.1517480        
 14     27.1361600              0.0652490        
 15     13.6891200              0.1004050        
 16      6.8827710              0.0672310        
 17      3.1446470              0.0081260        
 18      1.5062660             -0.0002610        
 19      0.6872680             -0.0000390        
 20      0.1609720             -0.0000080        
 21      0.0730170              0.0000140        
S   21
  1      0.1437022E+08         -0.0000330        
  2 2151540.0000000            -0.0000940        
  3 489625.7000000             -0.0002460        
  4 138690.3000000             -0.0005960        
  5  45249.8900000             -0.0014180        
  6  16337.6200000             -0.0033820        
  7   6373.0730000             -0.0081850        
  8   2643.9580000             -0.0198490        
  9   1153.6140000             -0.0461910        
 10    524.8606000             -0.0982720        
 11    247.3069000             -0.1763040        
 12    119.9063000             -0.2377920        
 13     58.9642900             -0.1523860        
 14     27.1361600              0.2036220        
 15     13.6891200              0.5501680        
 16      6.8827710              0.3578070        
 17      3.1446470              0.0457660        
 18      1.5062660             -0.0038900        
 19      0.6872680             -0.0004840        
 20      0.1609720             -0.0002010        
 21      0.0730170              0.0001790        
S   21
  1      0.1437022E+08          0.0000080        
  2 2151540.0000000             0.0000220        
  3 489625.7000000              0.0000570        
  4 138690.3000000              0.0001390        
  5  45249.8900000              0.0003300        
  6  16337.6200000              0.0007910        
  7   6373.0730000              0.0019200        
  8   2643.9580000              0.0047140        
  9   1153.6140000              0.0111330        
 10    524.8606000              0.0246990        
 11    247.3069000              0.0472060        
 12    119.9063000              0.0722950        
 13     58.9642900              0.0503830        
 14     27.1361600             -0.1023930        
 15     13.6891200             -0.3802180        
 16      6.8827710             -0.3454400        
 17      3.1446470              0.3024920        
 18      1.5062660              0.6860590        
 19      0.6872680              0.3089540        
 20      0.1609720              0.0132060        
 21      0.0730170             -0.0031170        
S   21
  1      0.1437022E+08         -0.0000020        
  2 2151540.0000000            -0.0000050        
  3 489625.7000000             -0.0000120        
  4 138690.3000000             -0.0000300        
  5  45249.8900000             -0.0000700        
  6  16337.6200000             -0.0001690        
  7   6373.0730000             -0.0004100        
  8   2643.9580000             -0.0010070        
  9   1153.6140000             -0.0023760        
 10    524.8606000             -0.0052860        
 11    247.3069000             -0.0100900        
 12    119.9063000             -0.0155790        
 13     58.9642900             -0.0107950        
 14     27.1361600              0.0222270        
 15     13.6891200              0.0876570        
 16      6.8827710              0.0809210        
 17      3.1446470             -0.0827610        
 18      1.5062660             -0.2246610        
 19      0.6872680             -0.2015800        
 20      0.1609720              0.3017660        
 21      0.0730170              0.5810930        
S   21
  1      0.1437022E+08         -0.0000030        
  2 2151540.0000000            -0.0000090        
  3 489625.7000000             -0.0000240        
  4 138690.3000000             -0.0000590        
  5  45249.8900000             -0.0001380        
  6  16337.6200000             -0.0003430        
  7   6373.0730000             -0.0007880        
  8   2643.9580000             -0.0020850        
  9   1153.6140000             -0.0044670        
 10    524.8606000             -0.0112370        
 11    247.3069000             -0.0181850        
 12    119.9063000             -0.0356690        
 13     58.9642900             -0.0119320        
 14     27.1361600              0.0212370        
 15     13.6891200              0.2348300        
 16      6.8827710              0.0848480        
 17      3.1446470             -0.0615640        
 18      1.5062660             -0.9633490        
 19      0.6872680              0.4435460        
 20      0.1609720              1.5994950        
 21      0.0730170             -0.7695260        
S   21
  1      0.1437022E+08         -0.0000060        
  2 2151540.0000000            -0.0000160        
  3 489625.7000000             -0.0000420        
  4 138690.3000000             -0.0001020        
  5  45249.8900000             -0.0002390        
  6  16337.6200000             -0.0005910        
  7   6373.0730000             -0.0013670        
  8   2643.9580000             -0.0035830        
  9   1153.6140000             -0.0077820        
 10    524.8606000             -0.0192710        
 11    247.3069000             -0.0320140        
 12    119.9063000             -0.0609120        
 13     58.9642900             -0.0236150        
 14     27.1361600              0.0437420        
 15     13.6891200              0.4195750        
 16      6.8827710              0.2454930        
 17      3.1446470             -0.5913480        
 18      1.5062660             -1.7723080        
 19      0.6872680              2.6790200        
 20      0.1609720             -0.7274990        
 21      0.0730170             -1.2747080        
S   21
  1      0.1437022E+08         -0.0000060        
  2 2151540.0000000            -0.0000180        
  3 489625.7000000             -0.0000470        
  4 138690.3000000             -0.0001110        
  5  45249.8900000             -0.0002800        
  6  16337.6200000             -0.0006050        
  7   6373.0730000             -0.0017140        
  8   2643.9580000             -0.0033760        
  9   1153.6140000             -0.0105710        
 10    524.8606000             -0.0161940        
 11    247.3069000             -0.0500370        
 12    119.9063000             -0.0349470        
 13     58.9642900             -0.0993410        
 14     27.1361600              0.2194560        
 15     13.6891200              0.1784260        
 16      6.8827710              1.0401950        
 17      3.1446470             -3.3014820        
 18      1.5062660              2.3454950        
 19      0.6872680              0.5436570        
 20      0.1609720             -3.5761260        
 21      0.0730170              4.9421090        
S   1
  1      0.0320710              1.0000000        
S   1
  1      6.2451000              1.0000000        
S   1
  1      1.7752000              1.0000000        
P   17
  1  41961.4000000              0.0000530        
  2   9928.3060000              0.0001980        
  3   3224.9710000              0.0008160        
  4   1235.2930000              0.0030540        
  5    525.8469000              0.0105440        
  6    240.9762000              0.0319630        
  7    116.6418000              0.0832750        
  8     58.8483400              0.1768010        
  9     30.5291000              0.2892520        
 10     16.1694300              0.3294090        
 11      8.6642360              0.2103030        
 12      4.5919430              0.0551480        
 13      2.3810480              0.0015780        
 14      1.2062460             -0.0021450        
 15      0.5888220             -0.0011880        
 16      0.2248930             -0.0000800        
 17      0.0904480             -0.0000030        
P   17
  1  41961.4000000             -0.0000190        
  2   9928.3060000             -0.0000710        
  3   3224.9710000             -0.0002910        
  4   1235.2930000             -0.0010940        
  5    525.8469000             -0.0037960        
  6    240.9762000             -0.0116670        
  7    116.6418000             -0.0310950        
  8     58.8483400             -0.0684730        
  9     30.5291000             -0.1168130        
 10     16.1694300             -0.1403400        
 11      8.6642360             -0.0455310        
 12      4.5919430              0.1979890        
 13      2.3810480              0.4052460        
 14      1.2062460              0.3766180        
 15      0.5888220              0.1642500        
 16      0.2248930              0.0173260        
 17      0.0904480             -0.0011590        
P   17
  1  41961.4000000              0.0000040        
  2   9928.3060000              0.0000160        
  3   3224.9710000              0.0000640        
  4   1235.2930000              0.0002400        
  5    525.8469000              0.0008410        
  6    240.9762000              0.0025640        
  7    116.6418000              0.0069140        
  8     58.8483400              0.0150970        
  9     30.5291000              0.0262560        
 10     16.1694300              0.0310480        
 11      8.6642360              0.0100640        
 12      4.5919430             -0.0546020        
 13      2.3810480             -0.1063460        
 14      1.2062460             -0.1210550        
 15      0.5888220              0.0063130        
 16      0.2248930              0.3283220        
 17      0.0904480              0.5404380        
P   17
  1  41961.4000000              0.0000070        
  2   9928.3060000              0.0000250        
  3   3224.9710000              0.0001030        
  4   1235.2930000              0.0003800        
  5    525.8469000              0.0013410        
  6    240.9762000              0.0040530        
  7    116.6418000              0.0110330        
  8     58.8483400              0.0238220        
  9     30.5291000              0.0421320        
 10     16.1694300              0.0489260        
 11      8.6642360              0.0182370        
 12      4.5919430             -0.0927790        
 13      2.3810480             -0.1742910        
 14      1.2062460             -0.1949580        
 15      0.5888220              0.0866440        
 16      0.2248930              0.6196070        
 17      0.0904480              0.4155170        
P   17
  1  41961.4000000              0.0000140        
  2   9928.3060000              0.0000490        
  3   3224.9710000              0.0002170        
  4   1235.2930000              0.0007530        
  5    525.8469000              0.0028520        
  6    240.9762000              0.0080000        
  7    116.6418000              0.0236410        
  8     58.8483400              0.0464590        
  9     30.5291000              0.0930840        
 10     16.1694300              0.0921130        
 11      8.6642360              0.0774220        
 12      4.5919430             -0.3214270        
 13      2.3810480             -0.4386490        
 14      1.2062460             -0.2191060        
 15      0.5888220              1.1794450        
 16      0.2248930              0.1324390        
 17      0.0904480             -0.8109210        
P   17
  1  41961.4000000              0.0000180        
  2   9928.3060000              0.0000680        
  3   3224.9710000              0.0002720        
  4   1235.2930000              0.0010650        
  5    525.8469000              0.0035430        
  6    240.9762000              0.0114310        
  7    116.6418000              0.0291160        
  8     58.8483400              0.0681050        
  9     30.5291000              0.1082440        
 10     16.1694300              0.1709700        
 11      8.6642360              0.1038320        
 12      4.5919430             -0.7477390        
 13      2.3810480             -0.8092780        
 14      1.2062460              1.8373640        
 15      0.5888220             -0.1406610        
 16      0.2248930             -1.4398920        
 17      0.0904480              1.0498300        
P   1
  1      0.0358200              1.0000000        
P   1
  1      9.4150000              1.0000000        
P   1
  1      2.5758000              1.0000000        
D   10
  1    371.5660000              0.0003980        
  2    110.1150000              0.0034810        
  3     42.4255000              0.0173620        
  4     18.3369000              0.0576820        
  5      8.4573000              0.1418110        
  6      4.0417900              0.2456560        
  7      1.9260300              0.3075020        
  8      0.8942810              0.2955950        
  9      0.3979880              0.2121670        
 10      0.1665000              0.0928960        
D   10
  1    371.5660000             -0.0004600        
  2    110.1150000             -0.0040610        
  3     42.4255000             -0.0202580        
  4     18.3369000             -0.0685820        
  5      8.4573000             -0.1734630        
  6      4.0417900             -0.2858720        
  7      1.9260300             -0.2288420        
  8      0.8942810              0.1000240        
  9      0.3979880              0.4213280        
 10      0.1665000              0.4054680        
D   10
  1    371.5660000             -0.0006110        
  2    110.1150000             -0.0054160        
  3     42.4255000             -0.0272350        
  4     18.3369000             -0.0942080        
  5      8.4573000             -0.2495960        
  6      4.0417900             -0.3440740        
  7      1.9260300              0.0830320        
  8      0.8942810              0.6510980        
  9      0.3979880              0.1778030        
 10      0.1665000             -0.6155820        
D   10
  1    371.5660000             -0.0009190        
  2    110.1150000             -0.0075970        
  3     42.4255000             -0.0410110        
  4     18.3369000             -0.1379990        
  5      8.4573000             -0.4392740        
  6      4.0417900             -0.2345360        
  7      1.9260300              0.9736790        
  8      0.8942810              0.0750400        
  9      0.3979880             -1.0306680        
 10      0.1665000              0.4434900        
D   1
  1      0.0630250              1.0000000        
D   1
  1      6.2748000              1.0000000        
D   1
  1      3.3097000              1.0000000        
F   1
  1      8.9724000              1.0000000        
F   1
  1      3.7773000              1.0000000        
F   1
  1      1.5902000              1.0000000        
F   1
  1      0.5363000              1.0000000        
G   1
  1      7.3377000              1.0000000        
G   1
  1      3.2254000              1.0000000        
G   1
  1      1.2510000              1.0000000        
H   1
  1      6.7172000              1.0000000        
H   1
  1      2.7485000              1.0000000


name: cc-pwCVQZ-DK
description: QZ3P All-electron Douglas-Kroll Core-Valence Quadruple Zeta + Polarization
elt: Ni
data:
NICKEL
S   19
  1 15503020.0000000            0.0000680        
  2 2321071.0000000             0.0001920        
  3 528180.2000000              0.0005030        
  4 149604.0000000              0.0012080        
  5  48809.0700000              0.0028490        
  6  17622.3900000              0.0067150        
  7   6874.2010000              0.0160260        
  8   2851.8570000              0.0380450        
  9   1244.3340000              0.0860160        
 10    566.1547000              0.1724730        
 11    266.7873000              0.2771470        
 12    129.3752000              0.2968780        
 13     63.6516100              0.1607220        
 14     29.3330200              0.0532090        
 15     14.8221200              0.0670780        
 16      7.4605130              0.0451040        
 17      3.4135760              0.0051630        
 18      1.6328840             -0.0001680        
 19      0.7435790             -0.0000810        
S   21
  1 15503020.0000000           -0.0000310        
  2 2321071.0000000            -0.0000870        
  3 528180.2000000             -0.0002280        
  4 149604.0000000             -0.0005490        
  5  48809.0700000             -0.0012970        
  6  17622.3900000             -0.0030720        
  7   6874.2010000             -0.0073790        
  8   2851.8570000             -0.0178050        
  9   1244.3340000             -0.0413840        
 10    566.1547000             -0.0884770        
 11    266.7873000             -0.1605330        
 12    129.3752000             -0.2211450        
 13     63.6516100             -0.1429300        
 14     29.3330200              0.2105090        
 15     14.8221200              0.5571780        
 16      7.4605130              0.3587470        
 17      3.4135760              0.0448050        
 18      1.6328840             -0.0047710        
 19      0.7435790             -0.0009710        
 20      0.1725920             -0.0002250        
 21      0.0774200              0.0001450        
S   21
  1 15503020.0000000            0.0000080        
  2 2321071.0000000             0.0000230        
  3 528180.2000000              0.0000600        
  4 149604.0000000              0.0001450        
  5  48809.0700000              0.0003430        
  6  17622.3900000              0.0008140        
  7   6874.2010000              0.0019600        
  8   2851.8570000              0.0047790        
  9   1244.3340000              0.0112410        
 10    566.1547000              0.0248800        
 11    266.7873000              0.0475220        
 12    129.3752000              0.0727080        
 13     63.6516100              0.0504870        
 14     29.3330200             -0.1049100        
 15     14.8221200             -0.3841580        
 16      7.4605130             -0.3405100        
 17      3.4135760              0.3128690        
 18      1.6328840              0.6787890        
 19      0.7435790              0.3074190        
 20      0.1725920              0.0146650        
 21      0.0774200             -0.0039540        
S   21
  1 15503020.0000000           -0.0000020        
  2 2321071.0000000            -0.0000050        
  3 528180.2000000             -0.0000130        
  4 149604.0000000             -0.0000310        
  5  48809.0700000             -0.0000730        
  6  17622.3900000             -0.0001730        
  7   6874.2010000             -0.0004150        
  8   2851.8570000             -0.0010130        
  9   1244.3340000             -0.0023810        
 10    566.1547000             -0.0052860        
 11    266.7873000             -0.0100820        
 12    129.3752000             -0.0155550        
 13     63.6516100             -0.0107280        
 14     29.3330200              0.0225870        
 15     14.8221200              0.0878230        
 16      7.4605130              0.0787500        
 17      3.4135760             -0.0841310        
 18      1.6328840             -0.2212350        
 19      0.7435790             -0.1943700        
 20      0.1725920              0.2958150        
 21      0.0774200              0.5768850        
S   21
  1 15503020.0000000           -0.0000040        
  2 2321071.0000000            -0.0000100        
  3 528180.2000000             -0.0000260        
  4 149604.0000000             -0.0000630        
  5  48809.0700000             -0.0001460        
  6  17622.3900000             -0.0003590        
  7   6874.2010000             -0.0008240        
  8   2851.8570000             -0.0021470        
  9   1244.3340000             -0.0046300        
 10    566.1547000             -0.0114660        
 11    266.7873000             -0.0188850        
 12    129.3752000             -0.0360910        
 13     63.6516100             -0.0131930        
 14     29.3330200              0.0249350        
 15     14.8221200              0.2351510        
 16      7.4605130              0.0995590        
 17      3.4135760             -0.0991250        
 18      1.6328840             -0.9520230        
 19      0.7435790              0.4790000        
 20      0.1725920              1.4997280        
 21      0.0774200             -0.6533590        
S   21
  1 15503020.0000000           -0.0000060        
  2 2321071.0000000            -0.0000170        
  3 528180.2000000             -0.0000450        
  4 149604.0000000             -0.0001080        
  5  48809.0700000             -0.0002530        
  6  17622.3900000             -0.0006140        
  7   6874.2010000             -0.0014330        
  8   2851.8570000             -0.0036470        
  9   1244.3340000             -0.0081260        
 10    566.1547000             -0.0193360        
 11    266.7873000             -0.0337780        
 12    129.3752000             -0.0597330        
 13     63.6516100             -0.0291950        
 14     29.3330200              0.0576720        
 15     14.8221200              0.3962980        
 16      7.4605130              0.3262820        
 17      3.4135760             -0.7659990        
 18      1.6328840             -1.5951110        
 19      0.7435790              2.6051560        
 20      0.1725920             -0.7647690        
 21      0.0774200             -1.1749130        
S   21
  1 15503020.0000000           -0.0000070        
  2 2321071.0000000            -0.0000190        
  3 528180.2000000             -0.0000500        
  4 149604.0000000             -0.0001170        
  5  48809.0700000             -0.0002940        
  6  17622.3900000             -0.0006290        
  7   6874.2010000             -0.0017690        
  8   2851.8570000             -0.0034530        
  9   1244.3340000             -0.0108110        
 10    566.1547000             -0.0163970        
 11    266.7873000             -0.0511320        
 12    129.3752000             -0.0347730        
 13     63.6516100             -0.1020090        
 14     29.3330200              0.2248130        
 15     14.8221200              0.1666290        
 16      7.4605130              1.1504080        
 17      3.4135760             -3.6677600        
 18      1.6328840              2.9089060        
 19      0.7435790              0.1233070        
 20      0.1725920             -3.2568870        
 21      0.0774200              4.6303440        
S   1
  1      0.0337010              1.0000000        
S   1
  1      6.7511000              1.0000000        
S   1
  1      1.8578000              1.0000000        
P   17
  1  45066.6200000              0.0000570        
  2  10662.6400000              0.0002080        
  3   3463.4310000              0.0008460        
  4   1326.6240000              0.0031340        
  5    564.7414000              0.0107650        
  6    258.8288000              0.0325410        
  7    125.3115000              0.0846200        
  8     63.2423300              0.1792530        
  9     32.8240600              0.2920770        
 10     17.3969200              0.3290800        
 11      9.3243940              0.2060500        
 12      4.9388390              0.0521800        
 13      2.5620250              0.0007930        
 14      1.2992940             -0.0024970        
 15      0.6346780             -0.0013400        
 16      0.2325994             -0.0000960        
 17      0.0915230              0.0000050        
P   17
  1  45066.6200000             -0.0000200        
  2  10662.6400000             -0.0000740        
  3   3463.4310000             -0.0003020        
  4   1326.6240000             -0.0011260        
  5    564.7414000             -0.0038860        
  6    258.8288000             -0.0119180        
  7    125.3115000             -0.0317080        
  8     63.2423300             -0.0697490        
  9     32.8240600             -0.1185830        
 10     17.3969200             -0.1405920        
 11      9.3243940             -0.0391820        
 12      4.9388390              0.2070370        
 13      2.5620250              0.4068660        
 14      1.2992940              0.3672130        
 15      0.6346780              0.1625320        
 16      0.2325994              0.0179490        
 17      0.0915230             -0.0016100        
P   17
  1  45066.6200000              0.0000040        
  2  10662.6400000              0.0000150        
  3   3463.4310000              0.0000620        
  4   1326.6240000              0.0002270        
  5    564.7414000              0.0007940        
  6    258.8288000              0.0024100        
  7    125.3115000              0.0065010        
  8     63.2423300              0.0141420        
  9     32.8240600              0.0246010        
 10     17.3969200              0.0284870        
 11      9.3243940              0.0079730        
 12      4.9388390             -0.0524750        
 13      2.5620250             -0.0961500        
 14      1.2992940             -0.1098910        
 15      0.6346780              0.0052770        
 16      0.2325994              0.3160560        
 17      0.0915230              0.5414170        
P   17
  1  45066.6200000              0.0000090        
  2  10662.6400000              0.0000310        
  3   3463.4310000              0.0001290        
  4   1326.6240000              0.0004670        
  5    564.7414000              0.0016690        
  6    258.8288000              0.0049420        
  7    125.3115000              0.0137030        
  8     63.2423300              0.0288820        
  9     32.8240600              0.0525090        
 10     17.3969200              0.0575250        
 11      9.3243940              0.0233410        
 12      4.9388390             -0.1314790        
 13      2.5620250             -0.2125180        
 14      1.2992940             -0.2149510        
 15      0.6346780              0.2264290        
 16      0.2325994              0.6390330        
 17      0.0915230              0.3129740        
P   17
  1  45066.6200000              0.0000150        
  2  10662.6400000              0.0000540        
  3   3463.4310000              0.0002330        
  4   1326.6240000              0.0008060        
  5    564.7414000              0.0030230        
  6    258.8288000              0.0085050        
  7    125.3115000              0.0249740        
  8     63.2423300              0.0493100        
  9     32.8240600              0.0977120        
 10     17.3969200              0.0978230        
 11      9.3243940              0.0747930        
 12      4.9388390             -0.3728930        
 13      2.5620250             -0.4521070        
 14      1.2992940             -0.0831810        
 15      0.6346780              1.1810810        
 16      0.2325994             -0.0996300        
 17      0.0915230             -0.7437020        
P   17
  1  45066.6200000              0.0000210        
  2  10662.6400000              0.0000770        
  3   3463.4310000              0.0003040        
  4   1326.6240000              0.0011710        
  5    564.7414000              0.0039020        
  6    258.8288000              0.0124890        
  7    125.3115000              0.0320120        
  8     63.2423300              0.0742030        
  9     32.8240600              0.1186720        
 10     17.3969200              0.1888440        
 11      9.3243940              0.1042450        
 12      4.9388390             -0.9857230        
 13      2.5620250             -0.5224120        
 14      1.2992940              2.0084850        
 15      0.6346780             -0.6516730        
 16      0.2325994             -1.0910670        
 17      0.0915230              1.0098080        
P   1
  1      0.0355740              1.0000000        
P   1
  1     10.4540000              1.0000000        
P   1
  1      2.9156000              1.0000000        
D   10
  1    432.2741887              0.0003510        
  2    127.4570298              0.0031160        
  3     48.83096424             0.0160110        
  4     21.01674656             0.0546140        
  5      9.65710264             0.1364950        
  6      4.60305286             0.2389110        
  7      2.18924426             0.3000020        
  8      1.01439313             0.2906960        
  9      0.45035253             0.2209770        
 10      0.18765306             0.1203230        
D   10
  1    432.2741887             -0.0003600        
  2    127.4570298             -0.0032190        
  3     48.83096424            -0.0165480        
  4     21.01674656            -0.0572710        
  5      9.65710264            -0.1468730        
  6      4.60305286            -0.2479010        
  7      2.18924426            -0.2234890        
  8      1.01439313             0.0132390        
  9      0.45035253             0.3104770        
 10      0.18765306             0.4522510        
D   10
  1    432.2741887              0.0005070        
  2    127.4570298              0.0045770        
  3     48.83096424             0.0235490        
  4     21.01674656             0.0831870        
  5      9.65710264             0.2210890        
  6      4.60305286             0.3398130        
  7      2.18924426             0.0390780        
  8      1.01439313            -0.5221520        
  9      0.45035253            -0.3950570        
 10      0.18765306             0.3656590        
D   10
  1    432.2741887             -0.0007300        
  2    127.4570298             -0.0062770        
  3     48.83096424            -0.0340630        
  4     21.01674656            -0.1184390        
  5      9.65710264            -0.3663900        
  6      4.60305286            -0.3205530        
  7      2.18924426             0.6939770        
  8      1.01439313             0.4623840        
  9      0.45035253            -0.8214790        
 10      0.18765306            -0.1860170        
D   1
  1      0.07047793             1.0000000        
D   1
  1      6.8868000              1.0000000        
D   1
  1      3.5696000              1.0000000        
F   1
  1     10.2360000              1.0000000        
F   1
  1      4.3458000              1.0000000        
F   1
  1      1.8450000              1.0000000        
F   1
  1      0.6302000              1.0000000        
G   1
  1      8.4803000              1.0000000        
G   1
  1      3.7875000              1.0000000        
G   1
  1      1.5215000              1.0000000        
H   1
  1      7.5953000              1.0000000        
H   1
  1      3.1948000              1.0000000


