# all_value

name: aug-cc-pVTZ-PP
description: VTZPD Valence Triple Zeta + Polarization on All Atoms
elt: Hf
data:
HAFNIUM
S   9
  1     26.5042000              0.0320170        
  2     16.5840000             -0.2583380        
  3     10.3831000              0.7419580        
  4      6.4955000             -0.5972460        
  5      3.4643100             -0.4674330        
  6      0.9862000              0.7814380        
  7      0.4578280              0.5337560        
  8      0.1321180              0.0363800        
  9      0.0669670             -0.0136480        
S   9
  1     26.5042000             -0.0092200        
  2     16.5840000              0.0766750        
  3     10.3831000             -0.2256410        
  4      6.4955000              0.1855680        
  5      3.4643100              0.1565490        
  6      0.9862000             -0.3114170        
  7      0.4578280             -0.3945230        
  8      0.1321180              0.2034830        
  9      0.0669670              0.6862960        
S   9
  1     26.5042000             -0.0051870        
  2     16.5840000              0.0780690        
  3     10.3831000             -0.2633410        
  4      6.4955000              0.1631730        
  5      3.4643100              0.4121450        
  6      0.9862000             -0.9279190        
  7      0.4578280             -0.3552850        
  8      0.1321180              2.5901110        
  9      0.0669670             -1.2877130        
S   9
  1     26.5042000              0.0266200        
  2     16.5840000             -0.0510920        
  3     10.3831000             -0.0133860        
  4      6.4955000             -0.2493960        
  5      3.4643100              1.1377230        
  6      0.9862000             -3.2919740        
  7      0.4578280              3.0952960        
  8      0.1321180              0.5233810        
  9      0.0669670             -2.9817690        
S   1
  1      0.0290100              1.0000000        
S   1
  1      0.0126000              1.0000000        
P   8
  1     15.2724000             -0.0249160        
  2      9.5703500              0.1349670        
  3      5.0361800             -0.3145280        
  4      1.1521500              0.4766040        
  5      0.5624010              0.4841910        
  6      0.2742040              0.1844940        
  7      0.1205050              0.0186390        
  8      0.0528120              0.0015040        
P   8
  1     15.2724000              0.0066140        
  2      9.5703500             -0.0369260        
  3      5.0361800              0.0887770        
  4      1.1521500             -0.1514170        
  5      0.5624010             -0.2041520        
  6      0.2742040             -0.0401350        
  7      0.1205050              0.3663260        
  8      0.0528120              0.5626960        
P   8
  1     15.2724000              0.0094170        
  2      9.5703500             -0.0530870        
  3      5.0361800              0.1282870        
  4      1.1521500             -0.2170080        
  5      0.5624010             -0.3251220        
  6      0.2742040             -0.0046510        
  7      0.1205050              0.7343430        
  8      0.0528120              0.3849980        
P   8
  1     15.2724000              0.0190460        
  2      9.5703500             -0.1039530        
  3      5.0361800              0.2510270        
  4      1.1521500             -0.5289630        
  5      0.5624010             -0.8006570        
  6      0.2742040              1.6510980        
  7      0.1205050              0.1195080        
  8      0.0528120             -0.9590230        
P   1
  1      0.0228910              1.0000000        
P   1
  1      0.0099000              1.0000000        
D   7
  1     11.9756000             -0.0014780        
  2      7.4799800              0.0187080        
  3      4.6738300             -0.0580870        
  4      1.1750300              0.1823340        
  5      0.5283500              0.3486640        
  6      0.2277570              0.3933500        
  7      0.0941690              0.2772230        
D   7
  1     11.9756000              0.0012390        
  2      7.4799800             -0.0202160        
  3      4.6738300              0.0669450        
  4      1.1750300             -0.2392560        
  5      0.5283500             -0.4736770        
  6      0.2277570             -0.0843030        
  7      0.0941690              0.6333300        
D   7
  1     11.9756000             -0.0031330        
  2      7.4799800              0.0334770        
  3      4.6738300             -0.1038090        
  4      1.1750300              0.4716820        
  5      0.5283500              0.5191890        
  6      0.2277570             -1.0917460        
  7      0.0941690              0.0084120        
D   1
  1      0.0366310              1.0000000        
D   1
  1      0.0142000              1.0000000        
F   1
  1      0.5521000              1.0000000        
F   1
  1      0.1605000              1.0000000        
F   1
  1      0.0505000              1.0000000        
G   1
  1      0.3579000              1.0000000        
G   1
  1      0.1074000              1.0000000        


name: aug-cc-pVTZ-PP
description: VTZPD Valence Triple Zeta + Polarization on All Atoms
elt: Ta
data:
TANTALUM
S   9
  1     27.1236000              0.0310530        
  2     16.9695000             -0.2562460        
  3     10.6228000              0.7537040        
  4      6.6449300             -0.6221810        
  5      3.5948000             -0.4709360        
  6      1.0504400              0.7957440        
  7      0.4928350              0.5320760        
  8      0.1487360              0.0359520        
  9      0.0722280             -0.0130440        
S   9
  1     27.1236000             -0.0090380        
  2     16.9695000              0.0776200        
  3     10.6228000             -0.2351160        
  4      6.6449300              0.1985680        
  5      3.5948000              0.1643530        
  6      1.0504400             -0.3367730        
  7      0.4928350             -0.3948460        
  8      0.1487360              0.2230040        
  9      0.0722280              0.6886390        
S   9
  1     27.1236000             -0.0036940        
  2     16.9695000              0.0741990        
  3     10.6228000             -0.2667320        
  4      6.6449300              0.1638740        
  5      3.5948000              0.4542910        
  6      1.0504400             -1.0387690        
  7      0.4928350             -0.2840230        
  8      0.1487360              2.4631730        
  9      0.0722280             -1.1724650        
S   9
  1     27.1236000              0.0199390        
  2     16.9695000             -0.0119830        
  3     10.6228000             -0.1263190        
  4      6.6449300             -0.1072520        
  5      3.5948000              1.0858150        
  6      1.0504400             -3.3698120        
  7      0.4928350              3.2164070        
  8      0.1487360              0.3284360        
  9      0.0722280             -2.7861580        
S   1
  1      0.0309970              1.0000000        
S   1
  1      0.0133000              1.0000000        
P   8
  1     15.5273000             -0.0247840        
  2      9.7259300              0.1412710        
  3      5.2380300             -0.3273280        
  4      1.2270200              0.4834390        
  5      0.6053810              0.4839520        
  6      0.2963140              0.1812620        
  7      0.1305110              0.0183560        
  8      0.0571160              0.0014010        
P   8
  1     15.5273000              0.0068180        
  2      9.7259300             -0.0402940        
  3      5.2380300              0.0966590        
  4      1.2270200             -0.1633710        
  5      0.6053810             -0.2142180        
  6      0.2963140             -0.0232540        
  7      0.1305110              0.3814550        
  8      0.0571160              0.5524390        
P   8
  1     15.5273000              0.0100470        
  2      9.7259300             -0.0601510        
  3      5.2380300              0.1452770        
  4      1.2270200             -0.2448290        
  5      0.6053810             -0.3637170        
  6      0.2963140              0.0650640        
  7      0.1305110              0.7639420        
  8      0.0571160              0.3237320        
P   8
  1     15.5273000              0.0206680        
  2      9.7259300             -0.1177830        
  3      5.2380300              0.2832870        
  4      1.2270200             -0.6451770        
  5      0.6053810             -0.6698480        
  6      0.2963140              1.6952860        
  7      0.1305110             -0.0513130        
  8      0.0571160             -0.8985720        
P   1
  1      0.0246790              1.0000000        
P   1
  1      0.0107000              1.0000000        
D   7
  1     12.1917000             -0.0017560        
  2      7.6161300              0.0229090        
  3      4.7595400             -0.0715900        
  4      1.2759000              0.1997750        
  5      0.5929460              0.3628730        
  6      0.2642870              0.3846300        
  7      0.1124950              0.2504110        
D   7
  1     12.1917000              0.0014680        
  2      7.6161300             -0.0248100        
  3      4.7595400              0.0829610        
  4      1.2759000             -0.2725710        
  5      0.5929460             -0.4890720        
  6      0.2642870             -0.0016350        
  7      0.1124950              0.6453820        
D   7
  1     12.1917000             -0.0034800        
  2      7.6161300              0.0408190        
  3      4.7595400             -0.1314870        
  4      1.2759000              0.5878110        
  5      0.5929460              0.4024980        
  6      0.2642870             -1.1685840        
  7      0.1124950              0.1607410        
D   1
  1      0.0447800              1.0000000        
D   1
  1      0.0178000              1.0000000        
F   1
  1      0.6951000              1.0000000        
F   1
  1      0.2086000              1.0000000        
F   1
  1      0.0708000              1.0000000        
G   1
  1      0.4780000              1.0000000        
G   1
  1      0.1604000              1.0000000        


name: aug-cc-pVTZ-PP
description: VTZPD Valence Triple Zeta + Polarization on All Atoms
elt: W
data:
TUNGSTEN
S   9
  1     28.3881000              0.0286980        
  2     17.7568000             -0.2410370        
  3     11.1120000              0.7152180        
  4      6.9493400             -0.5713300        
  5      3.8150600             -0.5072560        
  6      1.1124900              0.8128760        
  7      0.5254010              0.5252410        
  8      0.1615290              0.0346380        
  9      0.0764090             -0.0129350        
S   9
  1     28.3881000             -0.0084840        
  2     17.7568000              0.0745440        
  3     11.1120000             -0.2285180        
  4      6.9493400              0.1874400        
  5      3.8150600              0.1806120        
  6      1.1124900             -0.3615620        
  7      0.5254010             -0.3873630        
  8      0.1615290              0.2480770        
  9      0.0764090              0.6828620        
S   9
  1     28.3881000             -0.0018080        
  2     17.7568000              0.0639220        
  3     11.1120000             -0.2421830        
  4      6.9493400              0.1239880        
  5      3.8150600              0.5003090        
  6      1.1124900             -1.1225650        
  7      0.5254010             -0.1993080        
  8      0.1615290              2.3607790        
  9      0.0764090             -1.1023500        
S   9
  1     28.3881000              0.0138380        
  2     17.7568000              0.0202260        
  3     11.1120000             -0.2093720        
  4      6.9493400             -0.0130360        
  5      3.8150600              1.0461320        
  6      1.1124900             -3.4415170        
  7      0.5254010              3.3512290        
  8      0.1615290              0.1364630        
  9      0.0764090             -2.6080750        
S   1
  1      0.0326700              1.0000000        
S   1
  1      0.0140000              1.0000000        
P   8
  1     16.5554000             -0.0252630        
  2     10.3744000              0.1409610        
  3      5.5219000             -0.3299160        
  4      1.2890200              0.5017200        
  5      0.6355960              0.4805660        
  6      0.3096450              0.1689050        
  7      0.1370120              0.0157270        
  8      0.0599380              0.0014690        
P   8
  1     16.5554000              0.0071290        
  2     10.3744000             -0.0411130        
  3      5.5219000              0.0996190        
  4      1.2890200             -0.1760570        
  5      0.6355960             -0.2167410        
  6      0.3096450             -0.0011430        
  7      0.1370120              0.3928970        
  8      0.0599380              0.5406250        
P   8
  1     16.5554000              0.0109680        
  2     10.3744000             -0.0640750        
  3      5.5219000              0.1564780        
  4      1.2890200             -0.2790200        
  5      0.6355960             -0.3897030        
  6      0.3096450              0.1566280        
  7      0.1370120              0.7687580        
  8      0.0599380              0.2655370        
P   8
  1     16.5554000              0.0221780        
  2     10.3744000             -0.1230550        
  3      5.5219000              0.2995730        
  4      1.2890200             -0.7580510        
  5      0.6355960             -0.4980530        
  6      0.3096450              1.7176990        
  7      0.1370120             -0.2467290        
  8      0.0599380             -0.8204790        
P   1
  1      0.0258750              1.0000000        
P   1
  1      0.0112000              1.0000000        
D   7
  1     13.6383000             -0.0026060        
  2      8.5173400              0.0290880        
  3      5.3232800             -0.0831780        
  4      1.3931900              0.2105050        
  5      0.6543070              0.3794490        
  6      0.2943900              0.3825380        
  7      0.1257220              0.2279060        
D   7
  1     13.6383000              0.0025740        
  2      8.5173400             -0.0333260        
  3      5.3232800              0.1006620        
  4      1.3931900             -0.3117890        
  5      0.6543070             -0.5101020        
  6      0.2943900              0.1043210        
  7      0.1257220              0.6647930        
D   7
  1     13.6383000              0.0068120        
  2      8.5173400             -0.0594810        
  3      5.3232800              0.1659640        
  4      1.3931900             -0.7073810        
  5      0.6543070             -0.2548900        
  6      0.2943900              1.2651180        
  7      0.1257220             -0.4506990        
D   1
  1      0.0497170              1.0000000        
D   1
  1      0.0197000              1.0000000        
F   1
  1      0.8266000              1.0000000        
F   1
  1      0.2560000              1.0000000        
F   1
  1      0.0913000              1.0000000        
G   1
  1      0.6205000              1.0000000        
G   1
  1      0.2286000              1.0000000        


name: aug-cc-pVTZ-PP
description: VTZPD Valence Triple Zeta + Polarization on All Atoms
elt: Re
data:
RHENIUM
S   9
  1     30.4120000              0.0229870        
  2     19.0142000             -0.1976360        
  3     11.8921000              0.5813760        
  4      7.4336100             -0.3840040        
  5      4.1811300             -0.6002800        
  6      1.1685700              0.8264270        
  7      0.5539770              0.5102290        
  8      0.1707810              0.0365510        
  9      0.0792870             -0.0087660        
S   9
  1     30.4120000             -0.0072090        
  2     19.0142000              0.0645740        
  3     11.8921000             -0.1963520        
  4      7.4336100              0.1354270        
  5      4.1811300              0.2175540        
  6      1.1685700             -0.3902690        
  7      0.5539770             -0.3723360        
  8      0.1707810              0.2672200        
  9      0.0792870              0.6716710        
S   9
  1     30.4120000              0.0008190        
  2     19.0142000              0.0437380        
  3     11.8921000             -0.1772190        
  4      7.4336100              0.0197240        
  5      4.1811300              0.5658650        
  6      1.1685700             -1.1960450        
  7      0.5539770             -0.0926010        
  8      0.1707810              2.2639340        
  9      0.0792870             -1.0605870        
S   9
  1     30.4120000             -0.0059360        
  2     19.0142000             -0.0062770        
  3     11.8921000              0.0754730        
  4      7.4336100              0.0512310        
  5      4.1811300             -0.5040200        
  6      1.1685700              1.6252170        
  7      0.5539770             -1.6511890        
  8      0.1707810              0.1479060        
  9      0.0792870              0.9643860        
S   1
  1      0.0339090              1.0000000        
S   1
  1      0.0145000              1.0000000        
P   8
  1     18.3488000             -0.0168770        
  2     11.4877000              0.0929150        
  3      5.4325600             -0.2914010        
  4      1.3785900              0.4982270        
  5      0.6887660              0.4796070        
  6      0.3380830              0.1752920        
  7      0.1491600              0.0173410        
  8      0.0643210              0.0013480        
P   8
  1     18.3488000              0.0046080        
  2     11.4877000             -0.0268720        
  3      5.4325600              0.0889710        
  4      1.3785900             -0.1794810        
  5      0.6887660             -0.2111050        
  6      0.3380830             -0.0043780        
  7      0.1491600              0.3822050        
  8      0.0643210              0.5438540        
P   8
  1     18.3488000              0.0073690        
  2     11.4877000             -0.0437140        
  3      5.4325600              0.1463200        
  4      1.3785900             -0.3009630        
  5      0.6887660             -0.4000020        
  6      0.3380830              0.1900900        
  7      0.1491600              0.7604950        
  8      0.0643210              0.2562560        
P   8
  1     18.3488000              0.0150340        
  2     11.4877000             -0.0837840        
  3      5.4325600              0.2804860        
  4      1.3785900             -0.8342650        
  5      0.6887660             -0.4202230        
  6      0.3380830              1.7104440        
  7      0.1491600             -0.3011560        
  8      0.0643210             -0.7920800        
P   1
  1      0.0273440              1.0000000        
P   1
  1      0.0116000              1.0000000        
D   7
  1     13.8248000             -0.0010140        
  2      8.6358600              0.0200690        
  3      5.3969500             -0.0709260        
  4      1.4943200              0.2136340        
  5      0.7134790              0.3740960        
  6      0.3249100              0.3691180        
  7      0.1398360              0.2324990        
D   7
  1     13.8248000              0.0014410        
  2      8.6358600             -0.0233020        
  3      5.3969500              0.0813920        
  4      1.4943200             -0.2826220        
  5      0.7134790             -0.4844350        
  6      0.3249100              0.0772300        
  7      0.1398360              0.6339580        
D   7
  1     13.8248000             -0.0008920        
  2      8.6358600              0.0318260        
  3      5.3969500             -0.1289560        
  4      1.4943200              0.6891180        
  5      0.7134790              0.2530110        
  6      0.3249100             -1.1068680        
  7      0.1398360              0.1625610        
D   1
  1      0.0555530              1.0000000        
D   1
  1      0.0221000              1.0000000        
F   1
  1      0.9339000              1.0000000        
F   1
  1      0.2939000              1.0000000        
F   1
  1      0.1068000              1.0000000        
G   1
  1      0.7368000              1.0000000        
G   1
  1      0.2876000              1.0000000        


name: aug-cc-pVTZ-PP
description: VTZPD Valence Triple Zeta + Polarization on All Atoms
elt: Os
data:
OSMIUM
S   9
  1     32.3055000              0.0197370        
  2     20.1934000             -0.1722810        
  3     12.6258000              0.5020590        
  4      7.8902100             -0.2729310        
  5      4.4618300             -0.6628560        
  6      1.2361300              0.8403110        
  7      0.5888300              0.5041200        
  8      0.1832610              0.0360460        
  9      0.0839720             -0.0077430        
S   9
  1     32.3055000             -0.0065050        
  2     20.1934000              0.0585150        
  3     12.6258000             -0.1762530        
  4      7.8902100              0.1041850        
  5      4.4618300              0.2405050        
  6      1.2361300             -0.4093240        
  7      0.5888300             -0.3607630        
  8      0.1832610              0.2734870        
  9      0.0839720              0.6639500        
S   9
  1     32.3055000              0.0032420        
  2     20.1934000              0.0321220        
  3     12.6258000             -0.1472230        
  4      7.8902100             -0.0521880        
  5      4.4618300              0.6858550        
  6      1.2361300             -1.4787110        
  7      0.5888300              0.1833530        
  8      0.1832610              2.2357940        
  9      0.0839720             -1.2321000        
S   9
  1     32.3055000              0.0069550        
  2     20.1934000              0.0417920        
  3     12.6258000             -0.2181670        
  4      7.8902100             -0.1049580        
  5      4.4618300              1.2105800        
  6      1.2361300             -4.1259100        
  7      0.5888300              4.5902800        
  8      0.1832610             -1.6062050        
  9      0.0839720             -0.9747310        
S   1
  1      0.0358740              1.0000000        
S   1
  1      0.0153000              1.0000000        
P   8
  1     19.5631000             -0.0147080        
  2     12.2451000              0.0813650        
  3      5.5534200             -0.2865920        
  4      1.4628400              0.5046710        
  5      0.7345370              0.4803480        
  6      0.3605750              0.1720070        
  7      0.1566910              0.0167790        
  8      0.0663330              0.0010290        
P   8
  1     19.5631000              0.0038110        
  2     12.2451000             -0.0227510        
  3      5.5534200              0.0856230        
  4      1.4628400             -0.1797460        
  5      0.7345370             -0.2015160        
  6      0.3605750             -0.0014850        
  7      0.1566910              0.3717870        
  8      0.0663330              0.5436820        
P   8
  1     19.5631000              0.0068020        
  2     12.2451000             -0.0412110        
  3      5.5534200              0.1569900        
  4      1.4628400             -0.3433910        
  5      0.7345370             -0.4303710        
  6      0.3605750              0.2960230        
  7      0.1566910              0.7536120        
  8      0.0663330              0.1966590        
P   8
  1     19.5631000              0.0137510        
  2     12.2451000             -0.0773820        
  3      5.5534200              0.2953390        
  4      1.4628400             -0.9653980        
  5      0.7345370             -0.2465530        
  6      0.3605750              1.7281840        
  7      0.1566910             -0.5259660        
  8      0.0663330             -0.6793560        
P   1
  1      0.0277460              1.0000000        
P   1
  1      0.0116000              1.0000000        
D   7
  1     14.6857000             -0.0002690        
  2      9.1712400              0.0164940        
  3      5.7299200             -0.0666740        
  4      1.5875600              0.2245470        
  5      0.7672690              0.3796600        
  6      0.3528390              0.3618810        
  7      0.1530360              0.2216830        
D   7
  1     14.6857000              0.0012700        
  2      9.1712400             -0.0225880        
  3      5.7299200              0.0838610        
  4      1.5875600             -0.3263310        
  5      0.7672690             -0.5066390        
  6      0.3528390              0.1706070        
  7      0.1530360              0.6360850        
D   7
  1     14.6857000              0.0026700        
  2      9.1712400             -0.0374650        
  3      5.7299200              0.1404650        
  4      1.5875600             -0.8231180        
  5      0.7672690             -0.0536040        
  6      0.3528390              1.1529670        
  7      0.1530360             -0.4177890        
D   1
  1      0.0612280              1.0000000        
D   1
  1      0.0245000              1.0000000        
F   1
  1      1.0510000              1.0000000        
F   1
  1      0.3372000              1.0000000        
F   1
  1      0.1251000              1.0000000        
G   1
  1      0.8435000              1.0000000        
G   1
  1      0.3405000              1.0000000        


name: aug-cc-pVTZ-PP
description: VTZPD Valence Triple Zeta + Polarization on All Atoms
elt: Ir
data:
IRIDIUM
S   9
  1     34.2048000              0.0173300        
  2     21.3768000             -0.1532030        
  3     13.3624000              0.4419330        
  4      8.3483500             -0.1886920        
  5      4.7316300             -0.7122250        
  6      1.3078500              0.8529050        
  7      0.6243340              0.4997460        
  8      0.1938710              0.0352490        
  9      0.0879490             -0.0070780        
S   9
  1     34.2048000             -0.0060010        
  2     21.3768000              0.0538850        
  3     13.3624000             -0.1606020        
  4      8.3483500              0.0803950        
  5      4.7316300              0.2575940        
  6      1.3078500             -0.4237510        
  7      0.6243340             -0.3483540        
  8      0.1938710              0.2800310        
  9      0.0879490              0.6545570        
S   9
  1     34.2048000              0.0057000        
  2     21.3768000              0.0186860        
  3     13.3624000             -0.1098820        
  4      8.3483500             -0.1262300        
  5      4.7316300              0.7876390        
  6      1.3078500             -1.7027670        
  7      0.6243340              0.4383340        
  8      0.1938710              2.1004080        
  9      0.0879490             -1.2318660        
S   9
  1     34.2048000             -0.0001450        
  2     21.3768000              0.0001550        
  3     13.3624000              0.0004580        
  4      8.3483500              0.0027310        
  5      4.7316300             -0.0111600        
  6      1.3078500              0.0322630        
  7      0.6243340             -0.0309800        
  8      0.1938710             -0.0019260        
  9      0.0879490              0.0244470        
S   1
  1      0.0375390              1.0000000        
S   1
  1      0.0160000              1.0000000        
P   8
  1     20.7204000             -0.0132020        
  2     12.9677000              0.0739520        
  3      5.7222400             -0.2843120        
  4      1.5503800              0.5102230        
  5      0.7826600              0.4795020        
  6      0.3855150              0.1697720        
  7      0.1706090              0.0166680        
  8      0.0728290              0.0012420        
P   8
  1     20.7204000              0.0035200        
  2     12.9677000             -0.0215200        
  3      5.7222400              0.0890920        
  4      1.5503800             -0.1924180        
  5      0.7826600             -0.2089670        
  6      0.3855150              0.0046730        
  7      0.1706090              0.3828460        
  8      0.0728290              0.5399630        
P   8
  1     20.7204000              0.0068620        
  2     12.9677000             -0.0422290        
  3      5.7222400              0.1771470        
  4      1.5503800             -0.4201130        
  5      0.7826600             -0.4381970        
  6      0.3855150              0.4034530        
  7      0.1706090              0.7048150        
  8      0.0728290              0.1692730        
P   8
  1     20.7204000              0.0121460        
  2     12.9677000             -0.0723020        
  3      5.7222400              0.3121050        
  4      1.5503800             -1.1249840        
  5      0.7826600              0.0092840        
  6      0.3855150              1.6533010        
  7      0.1706090             -0.6527860        
  8      0.0728290             -0.6166420        
P   1
  1      0.0305710              1.0000000        
P   1
  1      0.0128000              1.0000000        
D   7
  1     91.4125000              0.0000240        
  2      9.7301300              0.0152170        
  3      6.0771200             -0.0657240        
  4      1.6882000              0.2340050        
  5      0.8237860              0.3845350        
  6      0.3820680              0.3558490        
  7      0.1669650              0.2119760        
D   7
  1     91.4125000             -0.0000130        
  2      9.7301300             -0.0183130        
  3      6.0771200              0.0780220        
  4      1.6882000             -0.3254460        
  5      0.8237860             -0.4793950        
  6      0.3820680              0.1391480        
  7      0.1669650              0.5831340        
D   7
  1     91.4125000             -0.0000080        
  2      9.7301300              0.0306140        
  3      6.0771200             -0.1301790        
  4      1.6882000              0.7766970        
  5      0.8237860              0.1046450        
  6      0.3820680             -1.0602650        
  7      0.1669650              0.1697160        
D   1
  1      0.0672310              1.0000000        
D   1
  1      0.0271000              1.0000000        
F   1
  1      1.1759000              1.0000000        
F   1
  1      0.3847000              1.0000000        
F   1
  1      0.1452000              1.0000000        
G   1
  1      0.9577000              1.0000000        
G   1
  1      0.4000000              1.0000000        


name: aug-cc-pVTZ-PP
description: VTZPD Valence Triple Zeta + Polarization on All Atoms
elt: Pt
data:
PLATINUM
S   9
  1     36.0064000              0.0156030        
  2     22.4991000             -0.1396000        
  3     14.0609000              0.3994690        
  4      8.7816100             -0.1277440        
  5      4.9923800             -0.7514510        
  6      1.3838500              0.8633270        
  7      0.6616170              0.4975940        
  8      0.2048820              0.0347580        
  9      0.0922300             -0.0065890        
S   9
  1     36.0064000             -0.0056780        
  2     22.4991000              0.0507550        
  3     14.0609000             -0.1500300        
  4      8.7816100              0.0639820        
  5      4.9923800              0.2704110        
  6      1.3838500             -0.4346570        
  7      0.6616170             -0.3372900        
  8      0.2048820              0.2814460        
  9      0.0922300              0.6455790        
S   9
  1     36.0064000              0.0070370        
  2     22.4991000              0.0105250        
  3     14.0609000             -0.0854980        
  4      8.7816100             -0.1765590        
  5      4.9923800              0.8567070        
  6      1.3838500             -1.8442100        
  7      0.6616170              0.6011560        
  8      0.2048820              1.9822930        
  9      0.0922300             -1.1764800        
S   9
  1     36.0064000             -0.0114450        
  2     22.4991000              0.1220440        
  3     14.0609000             -0.3759060        
  4      8.7816100              0.0553880        
  5      4.9923800              1.1335870        
  6      1.3838500             -4.2149190        
  7      0.6616170              4.8759410        
  8      0.2048820             -2.1659360        
  9      0.0922300             -0.4268040        
S   1
  1      0.0392640              1.0000000        
S   1
  1      0.0167000              1.0000000        
P   8
  1     21.5986000             -0.0125150        
  2     13.5160000              0.0715700        
  3      5.9203700             -0.2872760        
  4      1.6412600              0.5154190        
  5      0.8311310              0.4804610        
  6      0.4084300              0.1679960        
  7      0.1754270              0.0158600        
  8      0.0726850              0.0007950        
P   8
  1     21.5986000              0.0029600        
  2     13.5160000             -0.0191100        
  3      5.9203700              0.0838980        
  4      1.6412600             -0.1830090        
  5      0.8311310             -0.1878840        
  6      0.4084300             -0.0017870        
  7      0.1754270              0.3606710        
  8      0.0726850              0.5449210        
P   8
  1     21.5986000              0.0067690        
  2     13.5160000             -0.0429400        
  3      5.9203700              0.1894550        
  4      1.6412600             -0.4606470        
  5      0.8311310             -0.4463350        
  6      0.4084300              0.4896840        
  7      0.1754270              0.6825880        
  8      0.0726850              0.1279470        
P   8
  1     21.5986000              0.0116510        
  2     13.5160000             -0.0715220        
  3      5.9203700              0.3259640        
  4      1.6412600             -1.2148310        
  5      0.8311310              0.1587270        
  6      0.4084300              1.5953330        
  7      0.1754270             -0.7779330        
  8      0.0726850             -0.5304420        
P   1
  1      0.0297610              1.0000000        
P   1
  1      0.0122000              1.0000000        
D   7
  1     72.7562000              0.0000520        
  2     10.4742000              0.0126260        
  3      6.2509000             -0.0632410        
  4      1.8018500              0.2396470        
  5      0.8884540              0.3876720        
  6      0.4156650              0.3517440        
  7      0.1830800              0.2052900        
D   7
  1     72.7562000             -0.0000370        
  2     10.4742000             -0.0157890        
  3      6.2509000              0.0782970        
  4      1.8018500             -0.3582960        
  5      0.8884540             -0.4793250        
  6      0.4156650              0.1884070        
  7      0.1830800              0.5781450        
D   7
  1     72.7562000             -0.0000260        
  2     10.4742000              0.0271890        
  3      6.2509000             -0.1307380        
  4      1.8018500              0.8378570        
  5      0.8884540              0.0073940        
  6      0.4156650             -1.0612590        
  7      0.1830800              0.2490050        
D   1
  1      0.0742330              1.0000000        
D   1
  1      0.0301000              1.0000000        
F   1
  1      1.3040000              1.0000000        
F   1
  1      0.4337000              1.0000000        
F   1
  1      0.1662000              1.0000000        
G   1
  1      1.0772000              1.0000000        
G   1
  1      0.4643000              1.0000000        


name: aug-cc-pVTZ-PP
description: VTZPD Valence Triple Zeta + Polarization on All Atoms
elt: Au
data:
GOLD
S   9
  1     36.0126000              0.0190290        
  2     22.5645000             -0.1678000        
  3     14.1620000              0.4966770        
  4      8.8548700             -0.2662560        
  5      5.0607200             -0.6998980        
  6      1.4740500              0.8731080        
  7      0.7049130              0.5025820        
  8      0.2177870              0.0321960        
  9      0.0974080             -0.0055030        
S   9
  1     36.0126000             -0.0067770        
  2     22.5645000              0.0600080        
  3     14.1620000             -0.1833280        
  4      8.8548700              0.1147190        
  5      5.0607200              0.2488220        
  6      1.4740500             -0.4376710        
  7      0.7049130             -0.3311080        
  8      0.2177870              0.2741810        
  9      0.0974080              0.6377380        
S   9
  1     36.0126000              0.0039090        
  2     22.5645000              0.0337600        
  3     14.1620000             -0.1660600        
  4      8.8548700             -0.0517890        
  5      5.0607200              0.7950230        
  6      1.4740500             -1.8059270        
  7      0.7049130              0.5612390        
  8      0.2177870              1.8784270        
  9      0.0974080             -0.9692290        
S   9
  1     36.0126000             -0.0119140        
  2     22.5645000              0.1330690        
  3     14.1620000             -0.4342870        
  4      8.8548700              0.1701570        
  5      5.0607200              1.0647560        
  6      1.4740500             -4.0055360        
  7      0.7049130              4.4028320        
  8      0.2177870             -1.4321630        
  9      0.0974080             -1.1432550        
S   1
  1      0.0412140              1.0000000        
S   1
  1      0.0174000              1.0000000        
P   8
  1     21.5954000             -0.0132180        
  2     13.5145000              0.0801960        
  3      6.2551400             -0.2966860        
  4      1.7181400              0.5289590        
  5      0.8694390              0.4788890        
  6      0.4267590              0.1576200        
  7      0.1842970              0.0138970        
  8      0.0763790              0.0008350        
P   8
  1     21.5954000              0.0030800        
  2     13.5145000             -0.0214060        
  3      6.2551400              0.0867760        
  4      1.7181400             -0.1897740        
  5      0.8694390             -0.1858350        
  6      0.4267590              0.0047800        
  7      0.1842970              0.3638360        
  8      0.0763790              0.5417640        
P   8
  1     21.5954000              0.0070860        
  2     13.5145000             -0.0474930        
  3      6.2551400              0.1918930        
  4      1.7181400             -0.4636370        
  5      0.8694390             -0.4351380        
  6      0.4267590              0.4944030        
  7      0.1842970              0.6751140        
  8      0.0763790              0.1315360        
P   8
  1     21.5954000              0.0129200        
  2     13.5145000             -0.0820290        
  3      6.2551400              0.3386190        
  4      1.7181400             -1.2549920        
  5      0.8694390              0.2258130        
  6      0.4267590              1.5758790        
  7      0.1842970             -0.8043540        
  8      0.0763790             -0.5073130        
P   1
  1      0.0312200              1.0000000        
P   1
  1      0.0128000              1.0000000        
D   7
  1     87.0208000              0.0000440        
  2     11.0668000              0.0142880        
  3      6.6604700             -0.0688760        
  4      1.9469600              0.2395590        
  5      0.9847060              0.3873230        
  6      0.4746550              0.3487560        
  7      0.2165580              0.1984920        
D   7
  1     87.0208000             -0.0000310        
  2     11.0668000             -0.0199590        
  3      6.6604700              0.0953200        
  4      1.9469600             -0.4213430        
  5      0.9847060             -0.5069330        
  6      0.4746550              0.2854660        
  7      0.2165580              0.5825650        
D   7
  1     87.0208000             -0.0000440        
  2     11.0668000              0.0350830        
  3      6.6604700             -0.1619420        
  4      1.9469600              1.0421550        
  5      0.9847060             -0.2648650        
  6      0.4746550             -1.1163050        
  7      0.2165580              0.5457620        
D   1
  1      0.0914720              1.0000000        
D   1
  1      0.0386000              1.0000000        
F   1
  1      1.4385000              1.0000000        
F   1
  1      0.4878000              1.0000000        
F   1
  1      0.1926000              1.0000000        
G   1
  1      1.2257000              1.0000000        
G   1
  1      0.5507000              1.0000000        


name: aug-cc-pVTZ-PP
description: VTZPD Valence Triple Zeta + Polarization on All Atoms
elt: Hg
data:
MERCURY
S   9
  1     98.3058000              0.0010330        
  2     19.6406000             -0.1063820        
  3     12.3397000              0.5320730        
  4      7.7478200             -0.5223240        
  5      4.8629100             -0.5373210        
  6      1.5771900              0.8847880        
  7      0.7529260              0.5138340        
  8      0.2351120              0.0294070        
  9      0.1039680             -0.0061590        
S   9
  1     98.3058000             -0.0003560        
  2     19.6406000              0.0379090        
  3     12.3397000             -0.2000130        
  4      7.7478200              0.2240930        
  5      4.8629100              0.1793740        
  6      1.5771900             -0.4508330        
  7      0.7529260             -0.3390550        
  8      0.2351120              0.2934140        
  9      0.1039680              0.6446280        
S   9
  1     98.3058000             -0.0002170        
  2     19.6406000             -0.0440670        
  3     12.3397000              0.2876950        
  4      7.7478200             -0.1894760        
  5      4.8629100             -0.7807040        
  6      1.5771900              2.1756040        
  7      0.7529260             -0.8865840        
  8      0.2351120             -1.8749170        
  9      0.1039680              1.2470530        
S   9
  1     98.3058000             -0.0020930        
  2     19.6406000              0.1557830        
  3     12.3397000             -0.7951410        
  4      7.7478200              0.9970540        
  5      4.8629100              0.5928610        
  6      1.5771900             -4.4071970        
  7      0.7529260              5.2898370        
  8      0.2351120             -2.8866330        
  9      0.1039680              0.3158740        
S   1
  1      0.0434000              1.0000000        
S   1
  1      0.0181000              1.0000000        
P   8
  1     21.4065000             -0.0128370        
  2     13.3929000              0.0865310        
  3      6.5102100             -0.3080410        
  4      1.8222200              0.5327940        
  5      0.9265070              0.4822070        
  6      0.4550820              0.1546950        
  7      0.1927600              0.0132010        
  8      0.0786890              0.0005850        
P   8
  1     21.4065000              0.0026690        
  2     13.3929000             -0.0218770        
  3      6.5102100              0.0865390        
  4      1.8222200             -0.1847680        
  5      0.9265070             -0.1773950        
  6      0.4550820              0.0009770        
  7      0.1927600              0.3536030        
  8      0.0786890              0.5435820        
P   8
  1     21.4065000              0.0061400        
  2     13.3929000             -0.0480560        
  3      6.5102100              0.1891060        
  4      1.8222200             -0.4381190        
  5      0.9265070             -0.4321930        
  6      0.4550820              0.4570570        
  7      0.1927600              0.6953570        
  8      0.0786890              0.1420160        
P   8
  1     21.4065000              0.0130140        
  2     13.3929000             -0.0890970        
  3      6.5102100              0.3480200        
  4      1.8222200             -1.2184470        
  5      0.9265070              0.1232280        
  6      0.4550820              1.6284380        
  7      0.1927600             -0.7824510        
  8      0.0786890             -0.5112540        
P   1
  1      0.0317290              1.0000000        
P   1
  1      0.0128000              1.0000000        
D   7
  1     86.9881000              0.0000580        
  2     11.9913000              0.0127790        
  3      6.9364800             -0.0689630        
  4      2.0864100              0.2415630        
  5      1.0766400              0.3878580        
  6      0.5311530              0.3454410        
  7      0.2488080              0.1915090        
D   7
  1     86.9881000              0.0000500        
  2     11.9913000              0.0192460        
  3      6.9364800             -0.1034870        
  4      2.0864100              0.4847690        
  5      1.0766400              0.5069510        
  6      0.5311530             -0.3625720        
  7      0.2488080             -0.5729800        
D   7
  1     86.9881000             -0.0000430        
  2     11.9913000              0.0337600        
  3      6.9364800             -0.1746100        
  4      2.0864100              1.2017020        
  5      1.0766400             -0.5030930        
  6      0.5311530             -1.1299990        
  7      0.2488080              0.7749310        
D   1
  1      0.1081700              1.0000000        
D   1
  1      0.0470000              1.0000000        
F   1
  1      1.5814000              1.0000000        
F   1
  1      0.5423000              1.0000000        
F   1
  1      0.2182000              1.0000000        
G   1
  1      1.3737000              1.0000000        
G   1
  1      0.6361000              1.0000000        


name: aug-cc-pVTZ-PP
description: VTZPD Valence Triple Zeta + Polarization on All Atoms
elt: Tl
data:
THALLIUM
S   9
  1    562.3040000              0.0001980        
  2     35.2498000              0.0221110        
  3     22.0333000             -0.1771730        
  4     13.7732000              0.5247630        
  5      6.6070300             -0.8455960        
  6      4.1305000             -0.1972920        
  7      1.6915600              0.9069980        
  8      0.8210210              0.5217240        
  9      0.0533000              0.0011640        
S   9
  1    562.3040000             -0.0000840        
  2     35.2498000             -0.0071210        
  3     22.0333000              0.0624260        
  4     13.7732000             -0.1989080        
  5      6.6070300              0.3623280        
  6      4.1305000              0.0590030        
  7      1.6915600             -0.4951260        
  8      0.8210210             -0.4018200        
  9      0.0533000              0.2582840        
S   1
  1      0.2773460              1.0000000        
S   1
  1      0.1267730              1.0000000        
S   1
  1      0.0572000              1.0000000        
S   1
  1      0.0183000              1.0000000        
P   9
  1     18.7574000             -0.0166780        
  2     11.7331000              0.1512460        
  3      6.9769600             -0.3814160        
  4      1.9274400              0.5503950        
  5      0.9808470              0.4895040        
  6      0.4788090              0.1406890        
  7      0.1908570              0.0089600        
  8      0.0751060              0.0001670        
  9      0.0295540              0.0000910        
P   9
  1     18.7574000              0.0026180        
  2     11.7331000             -0.0328790        
  3      6.9769600              0.0924060        
  4      1.9274400             -0.1666270        
  5      0.9808470             -0.1563700        
  6      0.4788090             -0.0023450        
  7      0.1908570              0.3309880        
  8      0.0751060              0.5452360        
  9      0.0295540              0.2687240        
P   1
  1      0.2939000              1.0000000        
P   1
  1      0.0434000              1.0000000        
P   1
  1      0.0122000              1.0000000        
D   6
  1     64.9978000              0.0001920        
  2     10.5732000              0.0213830        
  3      6.6121700             -0.0882380        
  4      2.1735300              0.2702850        
  5      1.1010200              0.4265460        
  6      0.5290980              0.3444120        
D   1
  1      0.2386600              1.0000000        
D   1
  1      0.0908000              1.0000000        
D   1
  1      0.0294000              1.0000000        
F   1
  1      0.2918000              1.0000000        
F   1
  1      0.0990000              1.0000000        


name: aug-cc-pVTZ-PP
description: VTZPD Valence Triple Zeta + Polarization on All Atoms
elt: Pb
data:
LEAD
S   9
  1    544.6750000              0.0003190        
  2     36.5128000              0.0242140        
  3     22.7761000             -0.1854660        
  4     14.2262000              0.5460900        
  5      6.8950000             -0.8705150        
  6      4.3096900             -0.2035780        
  7      1.8008500              0.9089240        
  8      0.8907680              0.5320000        
  9      0.0632880              0.0010520        
S   9
  1    544.6750000             -0.0001460        
  2     36.5128000             -0.0083480        
  3     22.7761000              0.0694480        
  4     14.2262000             -0.2207290        
  5      6.8950000              0.4003450        
  6      4.3096900              0.0629640        
  7      1.8008500             -0.5315590        
  8      0.8907680             -0.4479460        
  9      0.0632880              0.2440990        
S   1
  1      0.3189680              1.0000000        
S   1
  1      0.1483520              1.0000000        
S   1
  1      0.0681000              1.0000000        
S   1
  1      0.0251000              1.0000000        
P   9
  1     18.6489000             -0.0178000        
  2     11.6679000              0.1793570        
  3      7.2934900             -0.4167250        
  4      2.0284900              0.5595180        
  5      1.0409700              0.4925180        
  6      0.5141900              0.1323700        
  7      0.2286510              0.0080590        
  8      0.0958280              0.0007990        
  9      0.0392290             -0.0000270        
P   9
  1     18.6489000              0.0030930        
  2     11.6679000             -0.0453160        
  3      7.2934900              0.1173920        
  4      2.0284900             -0.2007620        
  5      1.0409700             -0.1848820        
  6      0.5141900             -0.0054120        
  7      0.2286510              0.3698780        
  8      0.0958280              0.5468910        
  9      0.0392290              0.2294930        
P   1
  1      0.3696000              1.0000000        
P   1
  1      0.0586000              1.0000000        
P   1
  1      0.0208000              1.0000000        
D   6
  1     61.3970000              0.0003250        
  2     12.3735000              0.0132110        
  3      6.9268600             -0.0727810        
  4      2.3308700              0.2697210        
  5      1.2101900              0.4265860        
  6      0.6005160              0.3381390        
D   1
  1      0.2807870              1.0000000        
D   1
  1      0.1093000              1.0000000        
D   1
  1      0.0404000              1.0000000        
F   1
  1      0.2900000              1.0000000        
F   1
  1      0.1116000              1.0000000        


name: aug-cc-pVTZ-PP
description: VTZPD Valence Triple Zeta + Polarization on All Atoms
elt: Bi
data:
BISMUTH
S   9
  1    798.6330000              0.0003890        
  2     95.0023000              0.0021040        
  3     21.2520000             -0.1296810        
  4     13.2919000              0.6651190        
  5      8.3121000             -0.7740220        
  6      5.1947600             -0.4577470        
  7      1.9097200              0.9010720        
  8      0.9622710              0.5445340        
  9      0.0732650              0.0010360        
S   9
  1    798.6330000             -0.0001910        
  2     95.0023000             -0.0008850        
  3     21.2520000              0.0550530        
  4     13.2919000             -0.3024060        
  5      8.3121000              0.3964830        
  6      5.1947600              0.1783230        
  7      1.9097200             -0.5704930        
  8      0.9622710             -0.4792590        
  9      0.0732650              0.2315980        
S   1
  1      0.3560260              1.0000000        
S   1
  1      0.1683270              1.0000000        
S   1
  1      0.0784000              1.0000000        
S   1
  1      0.0297000              1.0000000        
P   9
  1     19.2259000             -0.0161520        
  2     12.0378000              0.1760310        
  3      7.5362100             -0.4201030        
  4      2.1608400              0.5526740        
  5      1.1303600              0.4995620        
  6      0.5667780              0.1344950        
  7      0.2716080              0.0080460        
  8      0.1177690              0.0010310        
  9      0.0493040             -0.0001620        
P   9
  1     19.2259000              0.0027330        
  2     12.0378000             -0.0488430        
  3      7.5362100              0.1318400        
  4      2.1608400             -0.2252710        
  5      1.1303600             -0.2078760        
  6      0.5667780             -0.0155850        
  7      0.2716080              0.3938490        
  8      0.1177690              0.5508800        
  9      0.0493040              0.2111500        
P   1
  1      0.4469000              1.0000000        
P   1
  1      0.0743000              1.0000000        
P   1
  1      0.0276000              1.0000000        
D   6
  1     65.0224000              0.0003950        
  2     13.6908000              0.0112010        
  3      7.0959100             -0.0723170        
  4      2.5209000              0.2632860        
  5      1.3406600              0.4273250        
  6      0.6825580              0.3375340        
D   1
  1      0.3277140              1.0000000        
D   1
  1      0.1306000              1.0000000        
D   1
  1      0.0488000              1.0000000        
F   1
  1      0.3164000              1.0000000        
F   1
  1      0.1188000              1.0000000        


name: aug-cc-pVTZ-PP
description: VTZPD Valence Triple Zeta + Polarization on All Atoms
elt: Po
data:
POLONIUM
S   9
  1   2284.7600000              0.0002360        
  2    345.7740000              0.0011910        
  3     40.9204000              0.0268960        
  4     25.5771000             -0.1699090        
  5     15.9942000              0.4554490        
  6      6.7938300             -0.9748070        
  7      1.9270900              0.9172590        
  8      0.9970320              0.5026630        
  9      0.0735360              0.0013620        
S   9
  1   2284.7600000              0.0001140        
  2    345.7740000              0.0006790        
  3     40.9204000              0.0074840        
  4     25.5771000             -0.0578310        
  5     15.9942000              0.1842770        
  6      6.7938300             -0.4716170        
  7      1.9270900              0.6656440        
  8      0.9970320              0.4192020        
  9      0.0735360             -0.1458700        
S   1
  1      0.3403500              1.0000000        
S   1
  1      0.1617240              1.0000000        
S   1
  1      0.0875000              1.0000000        
S   1
  1      0.0339000              1.0000000        
P   9
  1     19.7714000             -0.0144910        
  2     12.3921000              0.1732690        
  3      7.7740700             -0.4241670        
  4      2.2913100              0.5524090        
  5      1.2059400              0.5120890        
  6      0.5946110              0.1278370        
  7      0.2986450              0.0052540        
  8      0.1297420              0.0020100        
  9      0.0539350             -0.0001320        
P   9
  1     19.7714000              0.0021050        
  2     12.3921000             -0.0508490        
  3      7.7740700              0.1432890        
  4      2.2913100             -0.2470410        
  5      1.2059400             -0.2322350        
  6      0.5946110              0.0071000        
  7      0.2986450              0.4246290        
  8      0.1297420              0.5319740        
  9      0.0539350              0.1972940        
P   1
  1      0.4953000              1.0000000        
P   1
  1      0.0797000              1.0000000        
P   1
  1      0.0310000              1.0000000        
D   6
  1     67.9636000              0.0004990        
  2     14.9883000              0.0101500        
  3      7.2607400             -0.0719050        
  4      2.7107000              0.2594360        
  5      1.4638300              0.4323430        
  6      0.7558280              0.3375810        
D   1
  1      0.3671760              1.0000000        
D   1
  1      0.1484000              1.0000000        
D   1
  1      0.0578000              1.0000000        
F   1
  1      0.3250000              1.0000000        
F   1
  1      0.1322000              1.0000000        


name: aug-cc-pVTZ-PP
description: VTZPD Valence Triple Zeta + Polarization on All Atoms
elt: At
data:
ASTATINE
S   9
  1   2405.3100000              0.0001700        
  2    365.5650000              0.0008190        
  3     41.9062000              0.0224870        
  4     26.2026000             -0.1576560        
  5     16.3915000              0.4528990        
  6      7.0834100             -0.9917430        
  7      2.0331300              0.9225040        
  8      1.0700700              0.5052420        
  9      0.0818330              0.0013480        
S   9
  1   2405.3100000             -0.0000820        
  2    365.5650000             -0.0004930        
  3     41.9062000             -0.0054020        
  4     26.2026000              0.0531700        
  5     16.3915000             -0.1887440        
  6      7.0834100              0.4997270        
  7      2.0331300             -0.7071970        
  8      1.0700700             -0.4337520        
  9      0.0818330              0.1365100        
S   1
  1      0.3760710              1.0000000        
S   1
  1      0.1794470              1.0000000        
S   1
  1      0.0966000              1.0000000        
S   1
  1      0.0384000              1.0000000        
P   9
  1     20.2970000             -0.0118100        
  2     12.7312000              0.1669480        
  3      8.0003400             -0.4251720        
  4      2.4479600              0.5371220        
  5      1.3108200              0.5267320        
  6      0.6458650              0.1326450        
  7      0.3337580              0.0045660        
  8      0.1461660              0.0028370        
  9      0.0608710             -0.0000470        
P   9
  1     20.2970000              0.0010180        
  2     12.7312000             -0.0512500        
  3      8.0003400              0.1534750        
  4      2.4479600             -0.2616100        
  5      1.3108200             -0.2555450        
  6      0.6458650              0.0133140        
  7      0.3337580              0.4434770        
  8      0.1461660              0.5252820        
  9      0.0608710              0.1879620        
P   1
  1      0.5686000              1.0000000        
P   1
  1      0.0929000              1.0000000        
P   1
  1      0.0368000              1.0000000        
D   6
  1     70.9454000              0.0006200        
  2     16.2560000              0.0096710        
  3      7.3603200             -0.0734590        
  4      2.9233600              0.2525880        
  5      1.5991200              0.4379470        
  6      0.8340870              0.3400530        
D   1
  1      0.4081410              1.0000000        
D   1
  1      0.1683000              1.0000000        
D   1
  1      0.0686000              1.0000000        
F   1
  1      0.3719000              1.0000000        
F   1
  1      0.1703000              1.0000000        


name: aug-cc-pVTZ-PP
description: VTZPD Valence Triple Zeta + Polarization on All Atoms
elt: Rn
data:
RADON
S   9
  1   3407.2000000              0.0002290        
  2    516.4830000              0.0012550        
  3     97.0281000              0.0036740        
  4     26.4655000             -0.0885740        
  5     16.5631000              0.3733190        
  6      7.2510600             -0.9622370        
  7      2.1719300              0.8751670        
  8      1.1801200              0.5520340        
  9      0.0909250              0.0020960        
S   9
  1   3407.2000000             -0.0001250        
  2    516.4830000             -0.0007910        
  3     97.0281000             -0.0013530        
  4     26.4655000              0.0328160        
  5     16.5631000             -0.1662340        
  6      7.2510600              0.5134720        
  7      2.1719300             -0.7293370        
  8      1.1801200             -0.4533150        
  9      0.0909250              0.1289040        
S   1
  1      0.4014950              1.0000000        
S   1
  1      0.1948420              1.0000000        
S   1
  1      0.1060000              1.0000000        
S   1
  1      0.0429000              1.0000000        
P   9
  1     20.7239000             -0.0087120        
  2     12.9996000              0.1615290        
  3      8.1734800             -0.4339190        
  4      2.7474200              0.4447680        
  5      1.5639000              0.5621850        
  6      0.8110200              0.1912550        
  7      0.4009630              0.0133510        
  8      0.1737640              0.0015260        
  9      0.0715760             -0.0001560        
P   9
  1     20.7239000             -0.0002330        
  2     12.9996000             -0.0514810        
  3      8.1734800              0.1655770        
  4      2.7474200             -0.2323410        
  5      1.5639000             -0.2874580        
  6      0.8110200             -0.0486090        
  7      0.4009630              0.4450460        
  8      0.1737640              0.5480680        
  9      0.0715760              0.1999230        
P   1
  1      0.6463000              1.0000000        
P   1
  1      0.1083000              1.0000000        
P   1
  1      0.0426000              1.0000000        
D   6
  1     75.4318000              0.0007340        
  2     18.0171000              0.0088650        
  3      7.3516500             -0.0771450        
  4      3.2521200              0.2250370        
  5      1.8098900              0.4386570        
  6      0.9565500              0.3545790        
D   1
  1      0.4747500              1.0000000        
D   1
  1      0.1960000              1.0000000        
D   1
  1      0.0794000              1.0000000        
F   1
  1      0.4303000              1.0000000        
F   1
  1      0.2084000              1.0000000        


name: aug-cc-pVTZ-PP Diffuse
description: 1D Diffuse Functions
elt: Cu
data:
COPPER
S   1
  1      0.0172000              1.0000000        
P   1
  1      0.0151000              1.0000000        
D   1
  1      0.0604000              1.0000000        
F   1
  1      0.4587000              1.0000000        
G   1
  1      1.3831000              1.0000000        


name: aug-cc-pVTZ-PP Diffuse
description: 1D Diffuse Functions
elt: Zn
data:
ZINC
S   1
  1      0.0178000              1.0000000        
P   1
  1      0.0154000              1.0000000        
D   1
  1      0.0858000              1.0000000        
F   1
  1      0.5450000              1.0000000        
G   1
  1      1.7130000              1.0000000        


name: aug-cc-pVTZ-PP Diffuse
description: 1D Diffuse Functions
elt: Ga
data:
GALLIUM
S   1
  1      0.0187000              1.0000000        
P   1
  1      0.0126000              1.0000000        
D   1
  1      0.0351000              1.0000000        
F   1
  1      0.1019000              1.0000000        


name: aug-cc-pVTZ-PP Diffuse
description: 1D Diffuse Functions
elt: Ge
data:
GERMANIUM
S   1
  1      0.0266000              1.0000000        
P   1
  1      0.0213000              1.0000000        
D   1
  1      0.0512000              1.0000000        
F   1
  1      0.1321000              1.0000000        


name: aug-cc-pVTZ-PP Diffuse
description: 1D Diffuse Functions
elt: As
data:
ARSENIC
S   1
  1      0.0330000              1.0000000        
P   1
  1      0.0282000              1.0000000        
D   1
  1      0.0649000              1.0000000        
F   1
  1      0.1542000              1.0000000        


name: aug-cc-pVTZ-PP Diffuse
description: 1D Diffuse Functions
elt: Se
data:
SELENIUM
S   1
  1      0.0384000              1.0000000        
P   1
  1      0.0327000              1.0000000        
D   1
  1      0.0819000              1.0000000        
F   1
  1      0.1842000              1.0000000        


name: aug-cc-pVTZ-PP Diffuse
description: 1D Diffuse Functions
elt: Br
data:
BROMINE
S   1
  1      0.0445000              1.0000000        
P   1
  1      0.0396000              1.0000000        
D   1
  1      0.1009000              1.0000000        
F   1
  1      0.2454000              1.0000000        


name: aug-cc-pVTZ-PP Diffuse
description: 1D Diffuse Functions
elt: Kr
data:
KRYPTON
S   1
  1      0.0506000              1.0000000        
P   1
  1      0.0465000              1.0000000        
D   1
  1      0.1199000              1.0000000        
F   1
  1      0.3066000              1.0000000        


name: aug-cc-pVTZ-PP Diffuse
description: 1D Diffuse Functions
elt: Y
data:
YTTRIUM
S   1
  1      0.0104000              1.0000000        
P   1
  1      0.0103000              1.0000000        
D   1
  1      0.0101000              1.0000000        
F   1
  1      0.0353000              1.0000000        
G   1
  1      0.0764000              1.0000000        


name: aug-cc-pVTZ-PP Diffuse
description: 1D Diffuse Functions
elt: Zr
data:
ZIRCONIUM
S   1
  1      0.0110000              1.0000000        
P   1
  1      0.0101000              1.0000000        
D   1
  1      0.0133000              1.0000000        
F   1
  1      0.0618000              1.0000000        
G   1
  1      0.1333000              1.0000000        


name: aug-cc-pVTZ-PP Diffuse
description: 1D Diffuse Functions
elt: Nb
data:
NIOBIUM
S   1
  1      0.0117000              1.0000000        
P   1
  1      0.0109000              1.0000000        
D   1
  1      0.0168000              1.0000000        
F   1
  1      0.0911000              1.0000000        
G   1
  1      0.2101000              1.0000000        


name: aug-cc-pVTZ-PP Diffuse
description: 1D Diffuse Functions
elt: Mo
data:
MOLYBDENUM
S   1
  1      0.0123000              1.0000000        
P   1
  1      0.0115000              1.0000000        
D   1
  1      0.0186000              1.0000000        
F   1
  1      0.1186000              1.0000000        
G   1
  1      0.2751000              1.0000000        


name: aug-cc-pVTZ-PP Diffuse
description: 1D Diffuse Functions
elt: Tc
data:
TECHNETIUM
S   1
  1      0.0128000              1.0000000        
P   1
  1      0.0119000              1.0000000        
D   1
  1      0.0211000              1.0000000        
F   1
  1      0.1464000              1.0000000        
G   1
  1      0.3410000              1.0000000        


name: aug-cc-pVTZ-PP Diffuse
description: 1D Diffuse Functions
elt: Ru
data:
RUTHENIUM
S   1
  1      0.0134000              1.0000000        
P   1
  1      0.0120000              1.0000000        
D   1
  1      0.0237000              1.0000000        
F   1
  1      0.1768000              1.0000000        
G   1
  1      0.4195000              1.0000000        


name: aug-cc-pVTZ-PP Diffuse
description: 1D Diffuse Functions
elt: Rh
data:
RHODIUM
S   1
  1      0.0140000              1.0000000        
P   1
  1      0.0132000              1.0000000        
D   1
  1      0.0267000              1.0000000        
F   1
  1      0.2095000              1.0000000        
G   1
  1      0.5001000              1.0000000        


name: aug-cc-pVTZ-PP Diffuse
description: 1D Diffuse Functions
elt: Pd
data:
PALLADIUM
S   1
  1      0.0145000              1.0000000        
P   1
  1      0.0127000              1.0000000        
D   1
  1      0.0306000              1.0000000        
F   1
  1      0.2444000              1.0000000        
G   1
  1      0.5979000              1.0000000        


name: aug-cc-pVTZ-PP Diffuse
description: 1D Diffuse Functions
elt: Ag
data:
SILVER
S   1
  1      0.0151000              1.0000000        
P   1
  1      0.0132000              1.0000000        
D   1
  1      0.0481000              1.0000000        
F   1
  1      0.2889000              1.0000000        
G   1
  1      0.7090000              1.0000000        


name: aug-cc-pVTZ-PP Diffuse
description: 1D Diffuse Functions
elt: Cd
data:
CADMIUM
S   1
  1      0.0156000              1.0000000        
P   1
  1      0.0134000              1.0000000        
D   1
  1      0.0617000              1.0000000        
F   1
  1      0.3389000              1.0000000        
G   1
  1      0.8344000              1.0000000        


name: aug-cc-pVTZ-PP Diffuse
description: 1D Diffuse Functions
elt: In
data:
INDIUM
S   1
  1      0.0180000              1.0000000        
P   1
  1      0.0124000              1.0000000        
D   1
  1      0.0302000              1.0000000        
F   1
  1      0.0895000              1.0000000        


name: aug-cc-pVTZ-PP Diffuse
description: 1D Diffuse Functions
elt: Sn
data:
TIN
S   1
  1      0.0251000              1.0000000        
P   1
  1      0.0202000              1.0000000        
D   1
  1      0.0425000              1.0000000        
F   1
  1      0.1093000              1.0000000        


name: aug-cc-pVTZ-PP Diffuse
description: 1D Diffuse Functions
elt: Sb
data:
ANTIMONY
S   1
  1      0.0304000              1.0000000        
P   1
  1      0.0271000              1.0000000        
D   1
  1      0.0520000              1.0000000        
F   1
  1      0.1223000              1.0000000        


name: aug-cc-pVTZ-PP Diffuse
description: 1D Diffuse Functions
elt: Te
data:
TELLURIUM
S   1
  1      0.0354000              1.0000000        
P   1
  1      0.0306000              1.0000000        
D   1
  1      0.0643000              1.0000000        
F   1
  1      0.1413000              1.0000000        


name: aug-cc-pVTZ-PP Diffuse
description: 1D Diffuse Functions
elt: I
data:
IODINE
S   1
  1      4.120000E-02           1.0000000        
P   1
  1      3.590000E-02           1.0000000        
D   1
  1      7.820000E-02           1.0000000        
F   1
  1      1.848000E-01           1.0000000        


name: aug-cc-pVTZ-PP Diffuse
description: 1D Diffuse Functions
elt: Xe
data:
XENON
S   1
  1      0.0476000              1.0000000        
P   1
  1      0.0420000              1.0000000        
D   1
  1      0.0917000              1.0000000        
F   1
  1      0.2287000              1.0000000        


name: aug-cc-pVTZ-PP Diffuse
description: 1D Diffuse Functions
elt: Hf
data:
HAFNIUM
S   1
  1      0.0126000              1.0000000        
P   1
  1      0.0099000              1.0000000        
D   1
  1      0.0142000              1.0000000        
F   1
  1      0.0505000              1.0000000        
G   1
  1      0.1074000              1.0000000        


name: aug-cc-pVTZ-PP Diffuse
description: 1D Diffuse Functions
elt: Pt
data:
PLATINUM
S   1
  1      0.0167000              1.0000000        
P   1
  1      0.0122000              1.0000000        
D   1
  1      0.0301000              1.0000000        
F   1
  1      0.1662000              1.0000000        
G   1
  1      0.4643000              1.0000000        


name: aug-cc-pVTZ-PP Diffuse
description: 1D Diffuse Functions
elt: Au
data:
GOLD
S   1
  1      0.0174000              1.0000000        
P   1
  1      0.0128000              1.0000000        
D   1
  1      0.0386000              1.0000000        
F   1
  1      0.1926000              1.0000000        
G   1
  1      0.5507000              1.0000000        


name: aug-cc-pVTZ-PP Diffuse
description: 1D Diffuse Functions
elt: Hg
data:
MERCURY
S   1
  1      0.0181000              1.0000000        
P   1
  1      0.0128000              1.0000000        
D   1
  1      0.0470000              1.0000000        
F   1
  1      0.2182000              1.0000000        
G   1
  1      0.6361000              1.0000000        


name: aug-cc-pVTZ-PP Diffuse
description: 1D Diffuse Functions
elt: Tl
data:
THALLIUM
S   1
  1      0.0183000              1.0000000        
P   1
  1      0.0122000              1.0000000        
D   1
  1      0.0294000              1.0000000        
F   1
  1      0.0990000              1.0000000        


name: aug-cc-pVTZ-PP Diffuse
description: 1D Diffuse Functions
elt: Pb
data:
LEAD
S   1
  1      0.0251000              1.0000000        
P   1
  1      0.0208000              1.0000000        
D   1
  1      0.0404000              1.0000000        
F   1
  1      0.1116000              1.0000000        


name: aug-cc-pVTZ-PP Diffuse
description: 1D Diffuse Functions
elt: Bi
data:
BISMUTH
S   1
  1      0.0297000              1.0000000        
P   1
  1      0.0276000              1.0000000        
D   1
  1      0.0488000              1.0000000        
F   1
  1      0.1188000              1.0000000        


name: aug-cc-pVTZ-PP Diffuse
description: 1D Diffuse Functions
elt: Po
data:
POLONIUM
S   1
  1      0.0339000              1.0000000        
P   1
  1      0.0310000              1.0000000        
D   1
  1      0.0578000              1.0000000        
F   1
  1      0.1322000              1.0000000        


name: aug-cc-pVTZ-PP Diffuse
description: 1D Diffuse Functions
elt: At
data:
ASTATINE
S   1
  1      0.0384000              1.0000000        
P   1
  1      0.0368000              1.0000000        
D   1
  1      0.0686000              1.0000000        
F   1
  1      0.1703000              1.0000000        


name: aug-cc-pVTZ-PP Diffuse
description: 1D Diffuse Functions
elt: Rn
data:
RADON
S   1
  1      0.0429000              1.0000000        
P   1
  1      0.0426000              1.0000000        
D   1
  1      0.0794000              1.0000000        
F   1
  1      0.2084000              1.0000000        


name: aug-cc-pVTZ-PP Diffuse
description: N/A
elt: Y
data:
YTTRIUM
S   1
  1      0.0104000              1.0000000        
P   1
  1      0.0103000              1.0000000        
D   1
  1      0.0101000              1.0000000        
F   1
  1      0.0353000              1.0000000        
G   1
  1      0.0764000              1.0000000        


name: aug-cc-pVTZ-PP Diffuse
description: N/A
elt: Pd
data:
PALLADIUM
S   1
  1      0.0145000              1.0000000        
P   1
  1      0.0127000              1.0000000        
D   1
  1      0.0306000              1.0000000        
F   1
  1      0.2444000              1.0000000        
G   1
  1      0.5979000              1.0000000        


name: aug-cc-pVTZ-PP MP2 Fitting
description: MP2 auxiliary basis for use with aug-cc-pVTZ-PP AO basis set
elt: Y
data:
YTTRIUM
S   1
  1      9.9304689              1.0000000        
S   1
  1      5.9033139              1.0000000        
S   1
  1      3.3867561              1.0000000        
S   1
  1      1.9220018              1.0000000        
S   1
  1      0.9909261              1.0000000        
S   1
  1      0.5196271              1.0000000        
S   1
  1      0.2842359              1.0000000        
S   1
  1      0.1143957              1.0000000        
S   1
  1      0.0520075              1.0000000        
S   1
  1      0.0324439              1.0000000        
S   1
  1      0.0170023              1.0000000        
P   1
  1     11.9966262              1.0000000        
P   1
  1      5.9667904              1.0000000        
P   1
  1      3.4174998              1.0000000        
P   1
  1      1.8945541              1.0000000        
P   1
  1      0.8090815              1.0000000        
P   1
  1      0.4819686              1.0000000        
P   1
  1      0.2252205              1.0000000        
P   1
  1      0.1141890              1.0000000        
P   1
  1      0.0549493              1.0000000        
P   1
  1      0.0261141              1.0000000        
P   1
  1      0.0160021              1.0000000        
D   1
  1      8.0480851              1.0000000        
D   1
  1      5.0005152              1.0000000        
D   1
  1      3.0550562              1.0000000        
D   1
  1      1.4436950              1.0000000        
D   1
  1      0.8066959              1.0000000        
D   1
  1      0.4805166              1.0000000        
D   1
  1      0.2143553              1.0000000        
D   1
  1      0.1068841              1.0000000        
D   1
  1      0.0558500              1.0000000        
D   1
  1      0.0397974              1.0000000        
F   1
  1      7.9592102              1.0000000        
F   1
  1      4.3928865              1.0000000        
F   1
  1      1.9562916              1.0000000        
F   1
  1      1.0111273              1.0000000        
F   1
  1      0.5376159              1.0000000        
F   1
  1      0.2748743              1.0000000        
F   1
  1      0.1682796              1.0000000        
F   1
  1      0.0681666              1.0000000        
G   1
  1     17.4072285              1.0000000        
G   1
  1      5.8506570              1.0000000        
G   1
  1      1.2767869              1.0000000        
G   1
  1      0.7723055              1.0000000        
G   1
  1      0.3732995              1.0000000        
G   1
  1      0.1694718              1.0000000        
G   1
  1      0.0812926              1.0000000        
H   1
  1      1.2705690              1.0000000        
H   1
  1      0.6273216              1.0000000        
H   1
  1      0.2502183              1.0000000        
H   1
  1      0.0936713              1.0000000        
I   1
  1      2.5987540              1.0000000        
I   1
  1      0.5138865              1.0000000        
I   1
  1      0.1801177              1.0000000        


name: aug-cc-pVTZ-PP MP2 Fitting
description: MP2 auxiliary basis for use with aug-cc-pVTZ-PP AO basis set
elt: Zr
data:
ZIRCONIUM
S   1
  1      9.9663256              1.0000000        
S   1
  1      5.9462307              1.0000000        
S   1
  1      3.4316762              1.0000000        
S   1
  1      1.9547264              1.0000000        
S   1
  1      1.1036388              1.0000000        
S   1
  1      0.5261766              1.0000000        
S   1
  1      0.2920003              1.0000000        
S   1
  1      0.0908511              1.0000000        
S   1
  1      0.0389487              1.0000000        
S   1
  1      0.0249852              1.0000000        
S   1
  1      0.0192719              1.0000000        
P   1
  1     12.0016509              1.0000000        
P   1
  1      5.9957595              1.0000000        
P   1
  1      3.4809823              1.0000000        
P   1
  1      1.9743447              1.0000000        
P   1
  1      0.9999974              1.0000000        
P   1
  1      0.5139310              1.0000000        
P   1
  1      0.2460142              1.0000000        
P   1
  1      0.0922746              1.0000000        
P   1
  1      0.0411618              1.0000000        
P   1
  1      0.0216277              1.0000000        
P   1
  1      0.0157759              1.0000000        
D   1
  1      8.1899042              1.0000000        
D   1
  1      4.8151400              1.0000000        
D   1
  1      2.8635373              1.0000000        
D   1
  1      1.6478288              1.0000000        
D   1
  1      0.8614833              1.0000000        
D   1
  1      0.6433769              1.0000000        
D   1
  1      0.3269952              1.0000000        
D   1
  1      0.1340638              1.0000000        
D   1
  1      0.0474632              1.0000000        
D   1
  1      0.0429003              1.0000000        
F   1
  1      7.9405981              1.0000000        
F   1
  1      4.4852523              1.0000000        
F   1
  1      2.0444676              1.0000000        
F   1
  1      1.0956536              1.0000000        
F   1
  1      0.6067128              1.0000000        
F   1
  1      0.2960023              1.0000000        
F   1
  1      0.1415224              1.0000000        
F   1
  1      0.0422994              1.0000000        
G   1
  1     15.1290336              1.0000000        
G   1
  1      2.4044205              1.0000000        
G   1
  1      1.3427543              1.0000000        
G   1
  1      0.5717930              1.0000000        
G   1
  1      0.2797860              1.0000000        
G   1
  1      0.1408445              1.0000000        
G   1
  1      0.0447329              1.0000000        
H   1
  1      1.4671553              1.0000000        
H   1
  1      0.7803984              1.0000000        
H   1
  1      0.3638886              1.0000000        
H   1
  1      0.1176169              1.0000000        
I   1
  1      1.4948464              1.0000000        
I   1
  1      0.6739883              1.0000000        
I   1
  1      0.2243880              1.0000000        


name: aug-cc-pVTZ-PP MP2 Fitting
description: MP2 auxiliary basis for use with aug-cc-pVTZ-PP AO basis set
elt: Nb
data:
NIOBIUM
S   1
  1      9.9831610              1.0000000        
S   1
  1      5.9721155              1.0000000        
S   1
  1      3.4617142              1.0000000        
S   1
  1      1.9714118              1.0000000        
S   1
  1      1.0193055              1.0000000        
S   1
  1      0.6140215              1.0000000        
S   1
  1      0.2507272              1.0000000        
S   1
  1      0.1291279              1.0000000        
S   1
  1      0.0415094              1.0000000        
S   1
  1      0.0262751              1.0000000        
S   1
  1      0.0168302              1.0000000        
P   1
  1     11.9755852              1.0000000        
P   1
  1      5.9869207              1.0000000        
P   1
  1      3.5047663              1.0000000        
P   1
  1      2.0157436              1.0000000        
P   1
  1      0.9166962              1.0000000        
P   1
  1      0.5578183              1.0000000        
P   1
  1      0.2477230              1.0000000        
P   1
  1      0.1323075              1.0000000        
P   1
  1      0.0068518              1.0000000        
P   1
  1      0.0046214              1.0000000        
P   1
  1      0.0350154              1.0000000        
D   1
  1      7.9989725              1.0000000        
D   1
  1      4.9974335              1.0000000        
D   1
  1      2.9983688              1.0000000        
D   1
  1      1.5013630              1.0000000        
D   1
  1      1.0004487              1.0000000        
D   1
  1      0.4856741              1.0000000        
D   1
  1      0.2339835              1.0000000        
D   1
  1      0.1280404              1.0000000        
D   1
  1      0.0510639              1.0000000        
D   1
  1      0.0242720              1.0000000        
F   1
  1      7.9710662              1.0000000        
F   1
  1      4.9641836              1.0000000        
F   1
  1      2.1910439              1.0000000        
F   1
  1      1.1799149              1.0000000        
F   1
  1      0.6770243              1.0000000        
F   1
  1      0.3178650              1.0000000        
F   1
  1      0.1612119              1.0000000        
F   1
  1      0.0524264              1.0000000        
G   1
  1      3.0893397              1.0000000        
G   1
  1      1.8901468              1.0000000        
G   1
  1      0.9624686              1.0000000        
G   1
  1      0.5359559              1.0000000        
G   1
  1      0.2286910              1.0000000        
G   1
  1      0.1157370              1.0000000        
G   1
  1      0.0526659              1.0000000        
H   1
  1      1.8878864              1.0000000        
H   1
  1      1.0730770              1.0000000        
H   1
  1      0.4616814              1.0000000        
H   1
  1      0.2418408              1.0000000        
I   1
  1      1.8081489              1.0000000        
I   1
  1      0.8877399              1.0000000        
I   1
  1      0.4055419              1.0000000        


name: aug-cc-pVTZ-PP MP2 Fitting
description: MP2 auxiliary basis for use with aug-cc-pVTZ-PP AO basis set
elt: Mo
data:
MOLYBDENUM
S   1
  1      9.9902909              1.0000000        
S   1
  1      5.9897204              1.0000000        
S   1
  1      3.4905988              1.0000000        
S   1
  1      1.9947582              1.0000000        
S   1
  1      1.0999988              1.0000000        
S   1
  1      0.4516827              1.0000000        
S   1
  1      0.2754025              1.0000000        
S   1
  1      0.1260501              1.0000000        
S   1
  1      0.0589561              1.0000000        
S   1
  1      0.0310351              1.0000000        
S   1
  1      0.0123280              1.0000000        
P   1
  1     11.8522960              1.0000000        
P   1
  1      5.8952241              1.0000000        
P   1
  1      3.4811568              1.0000000        
P   1
  1      2.0504738              1.0000000        
P   1
  1      1.0424538              1.0000000        
P   1
  1      0.4924028              1.0000000        
P   1
  1      0.2895217              1.0000000        
P   1
  1      0.1261868              1.0000000        
P   1
  1      0.0592021              1.0000000        
P   1
  1      0.0245105              1.0000000        
P   1
  1      0.0113855              1.0000000        
D   1
  1      8.0027726              1.0000000        
D   1
  1      5.0077188              1.0000000        
D   1
  1      3.0063406              1.0000000        
D   1
  1      1.4951439              1.0000000        
D   1
  1      1.0048141              1.0000000        
D   1
  1      0.4599973              1.0000000        
D   1
  1      0.2232435              1.0000000        
D   1
  1      0.1098856              1.0000000        
D   1
  1      0.0549869              1.0000000        
D   1
  1      0.0250507              1.0000000        
F   1
  1      7.9100225              1.0000000        
F   1
  1      4.7791528              1.0000000        
F   1
  1      2.0830072              1.0000000        
F   1
  1      1.0893345              1.0000000        
F   1
  1      0.4783148              1.0000000        
F   1
  1      0.2490491              1.0000000        
F   1
  1      0.1429768              1.0000000        
F   1
  1      0.1197251              1.0000000        
G   1
  1      4.1114229              1.0000000        
G   1
  1      2.2473096              1.0000000        
G   1
  1      1.1426104              1.0000000        
G   1
  1      0.6297909              1.0000000        
G   1
  1      0.2671059              1.0000000        
G   1
  1      0.1258202              1.0000000        
G   1
  1      0.0503387              1.0000000        
H   1
  1      2.2883320              1.0000000        
H   1
  1      1.3207694              1.0000000        
H   1
  1      0.5742596              1.0000000        
H   1
  1      0.2587336              1.0000000        
I   1
  1      1.9208395              1.0000000        
I   1
  1      1.0417108              1.0000000        
I   1
  1      0.4854125              1.0000000        


name: aug-cc-pVTZ-PP MP2 Fitting
description: MP2 auxiliary basis for use with aug-cc-pVTZ-PP AO basis set
elt: Tc
data:
TECHNETIUM
S   1
  1      9.9364949              1.0000000        
S   1
  1      5.9796575              1.0000000        
S   1
  1      3.5200690              1.0000000        
S   1
  1      2.0267771              1.0000000        
S   1
  1      1.1106623              1.0000000        
S   1
  1      0.4989392              1.0000000        
S   1
  1      0.2452433              1.0000000        
S   1
  1      0.1026655              1.0000000        
S   1
  1      0.0498260              1.0000000        
S   1
  1      0.0312543              1.0000000        
S   1
  1      0.0120067              1.0000000        
P   1
  1     11.7082791              1.0000000        
P   1
  1      5.7636527              1.0000000        
P   1
  1      3.4163606              1.0000000        
P   1
  1      2.0587726              1.0000000        
P   1
  1      1.0417561              1.0000000        
P   1
  1      0.5183832              1.0000000        
P   1
  1      0.3035018              1.0000000        
P   1
  1      0.1222010              1.0000000        
P   1
  1      0.0523709              1.0000000        
P   1
  1      0.0247624              1.0000000        
P   1
  1      0.0168615              1.0000000        
D   1
  1      7.9694402              1.0000000        
D   1
  1      4.9885443              1.0000000        
D   1
  1      3.0143532              1.0000000        
D   1
  1      1.5123708              1.0000000        
D   1
  1      0.9486616              1.0000000        
D   1
  1      0.4499666              1.0000000        
D   1
  1      0.2329099              1.0000000        
D   1
  1      0.1053414              1.0000000        
D   1
  1      0.0498909              1.0000000        
D   1
  1      0.0291607              1.0000000        
F   1
  1      8.0105847              1.0000000        
F   1
  1      4.9476656              1.0000000        
F   1
  1      2.2232102              1.0000000        
F   1
  1      1.2066920              1.0000000        
F   1
  1      0.5338990              1.0000000        
F   1
  1      0.2780228              1.0000000        
F   1
  1      0.1574985              1.0000000        
F   1
  1      0.0387838              1.0000000        
G   1
  1      4.3624200              1.0000000        
G   1
  1      2.6542454              1.0000000        
G   1
  1      1.3208464              1.0000000        
G   1
  1      0.7418169              1.0000000        
G   1
  1      0.3141753              1.0000000        
G   1
  1      0.1445967              1.0000000        
G   1
  1      0.0387838              1.0000000        
H   1
  1      2.6595000              1.0000000        
H   1
  1      1.5196336              1.0000000        
H   1
  1      0.6877943              1.0000000        
H   1
  1      0.2568116              1.0000000        
I   1
  1      2.4089001              1.0000000        
I   1
  1      1.2765657              1.0000000        
I   1
  1      0.5631342              1.0000000        


name: aug-cc-pVTZ-PP MP2 Fitting
description: MP2 auxiliary basis for use with aug-cc-pVTZ-PP AO basis set
elt: Ru
data:
RUTHENIUM
S   1
  1      9.2096900503           1.0000000        
S   1
  1      5.5491570049           1.0000000        
S   1
  1      3.5355571812           1.0000000        
S   1
  1      2.2397821056           1.0000000        
S   1
  1      1.2297184663           1.0000000        
S   1
  1      0.53695504319          1.0000000        
S   1
  1      0.25811770132          1.0000000        
S   1
  1      0.10057447497          1.0000000        
S   1
  1      0.49114610351E-01            1.0000000        
S   1
  1      0.29556742313E-01            1.0000000        
S   1
  1      0.12800840448E-01            1.0000000        
P   1
  1     11.641858320            1.0000000        
P   1
  1      5.5431494929           1.0000000        
P   1
  1      3.3326298401           1.0000000        
P   1
  1      2.0679672026           1.0000000        
P   1
  1      1.0772512217           1.0000000        
P   1
  1      0.51038234402          1.0000000        
P   1
  1      0.25616017534          1.0000000        
P   1
  1      0.10318736758          1.0000000        
P   1
  1      0.48685271825E-01            1.0000000        
P   1
  1      0.24642171834E-01            1.0000000        
P   1
  1      0.18831737452E-01            1.0000000        
D   1
  1      7.9439666030           1.0000000        
D   1
  1      5.0181291152           1.0000000        
D   1
  1      3.1168748899           1.0000000        
D   1
  1      1.5238151790           1.0000000        
D   1
  1      0.98436239623          1.0000000        
D   1
  1      0.46686581570          1.0000000        
D   1
  1      0.23897725527          1.0000000        
D   1
  1      0.10177458854          1.0000000        
D   1
  1      0.50345548123E-01            1.0000000        
D   1
  1      0.23043954550E-01            1.0000000        
F   1
  1      8.0108110876           1.0000000        
F   1
  1      4.9596246848           1.0000000        
F   1
  1      2.3041599044           1.0000000        
F   1
  1      1.2851031989           1.0000000        
F   1
  1      0.57779775037          1.0000000        
F   1
  1      0.26852500720          1.0000000        
F   1
  1      0.13953548764          1.0000000        
F   1
  1      0.11178537862          1.0000000        
G   1
  1      5.0398882018           1.0000000        
G   1
  1      2.9850607699           1.0000000        
G   1
  1      1.3198337997           1.0000000        
G   1
  1      0.73644592839          1.0000000        
G   1
  1      0.32771947332          1.0000000        
G   1
  1      0.15123551247          1.0000000        
G   1
  1      0.98486560467E-01            1.0000000        
H   1
  1      3.0463392090           1.0000000        
H   1
  1      1.7497351318           1.0000000        
H   1
  1      0.80342883053          1.0000000        
H   1
  1      0.35582033374          1.0000000        
I   1
  1      2.8901503354           1.0000000        
I   1
  1      1.5225827714           1.0000000        
I   1
  1      0.70136716129          1.0000000        


name: aug-cc-pVTZ-PP MP2 Fitting
description: MP2 auxiliary basis for use with aug-cc-pVTZ-PP AO basis set
elt: Rh
data:
RHODIUM
S   1
  1      8.6500071              1.0000000        
S   1
  1      5.2877509              1.0000000        
S   1
  1      3.4518892              1.0000000        
S   1
  1      2.1532082              1.0000000        
S   1
  1      1.1991359              1.0000000        
S   1
  1      0.4892498              1.0000000        
S   1
  1      0.2446141              1.0000000        
S   1
  1      0.0996013              1.0000000        
S   1
  1      0.0501254              1.0000000        
S   1
  1      0.0300261              1.0000000        
S   1
  1      0.0115950              1.0000000        
P   1
  1     11.6727397              1.0000000        
P   1
  1      5.5508573              1.0000000        
P   1
  1      3.4846273              1.0000000        
P   1
  1      1.9980680              1.0000000        
P   1
  1      1.0309973              1.0000000        
P   1
  1      0.5170727              1.0000000        
P   1
  1      0.2653300              1.0000000        
P   1
  1      0.1028133              1.0000000        
P   1
  1      0.0504667              1.0000000        
P   1
  1      0.0251130              1.0000000        
P   1
  1      0.0097937              1.0000000        
D   1
  1      7.8102424              1.0000000        
D   1
  1      4.9952898              1.0000000        
D   1
  1      3.2787966              1.0000000        
D   1
  1      1.5325045              1.0000000        
D   1
  1      0.9899391              1.0000000        
D   1
  1      0.4932693              1.0000000        
D   1
  1      0.2469510              1.0000000        
D   1
  1      0.0992785              1.0000000        
D   1
  1      0.0499031              1.0000000        
D   1
  1      0.0270202              1.0000000        
F   1
  1      7.6652679              1.0000000        
F   1
  1      4.3919541              1.0000000        
F   1
  1      2.1832608              1.0000000        
F   1
  1      1.2178756              1.0000000        
F   1
  1      0.5785958              1.0000000        
F   1
  1      0.2924496              1.0000000        
F   1
  1      0.1471046              1.0000000        
F   1
  1      0.0612268              1.0000000        
G   1
  1     11.6457913              1.0000000        
G   1
  1      3.9154148              1.0000000        
G   1
  1      2.4632389              1.0000000        
G   1
  1      1.1993846              1.0000000        
G   1
  1      0.4865300              1.0000000        
G   1
  1      0.2163474              1.0000000        
G   1
  1      0.0612268              1.0000000        
H   1
  1      3.4717045              1.0000000        
H   1
  1      2.0635259              1.0000000        
H   1
  1      0.9451038              1.0000000        
H   1
  1      0.3765027              1.0000000        
I   1
  1      3.6552778              1.0000000        
I   1
  1      1.8142929              1.0000000        
I   1
  1      0.8069237              1.0000000        


name: aug-cc-pVTZ-PP MP2 Fitting
description: MP2 auxiliary basis for use with aug-cc-pVTZ-PP AO basis set
elt: Pd
data:
PALLADIUM
S   1
  1      9.0382975              1.0000000        
S   1
  1      5.4761768              1.0000000        
S   1
  1      3.3285644              1.0000000        
S   1
  1      2.2078774              1.0000000        
S   1
  1      1.1903026              1.0000000        
S   1
  1      0.4900523              1.0000000        
S   1
  1      0.2533605              1.0000000        
S   1
  1      0.0982824              1.0000000        
S   1
  1      0.0498678              1.0000000        
S   1
  1      0.0299555              1.0000000        
S   1
  1      0.0145451              1.0000000        
P   1
  1     11.9697981              1.0000000        
P   1
  1      5.6857085              1.0000000        
P   1
  1      3.4805149              1.0000000        
P   1
  1      2.0796735              1.0000000        
P   1
  1      0.9876288              1.0000000        
P   1
  1      0.5424818              1.0000000        
P   1
  1      0.2753221              1.0000000        
P   1
  1      0.1091642              1.0000000        
P   1
  1      0.0513719              1.0000000        
P   1
  1      0.0253095              1.0000000        
P   1
  1      0.0190030              1.0000000        
D   1
  1      7.1849295              1.0000000        
D   1
  1      4.9729939              1.0000000        
D   1
  1      3.7203978              1.0000000        
D   1
  1      1.6117779              1.0000000        
D   1
  1      1.0273875              1.0000000        
D   1
  1      0.4843141              1.0000000        
D   1
  1      0.2465700              1.0000000        
D   1
  1      0.1017735              1.0000000        
D   1
  1      0.0501839              1.0000000        
D   1
  1      0.0369219              1.0000000        
F   1
  1      6.9879245              1.0000000        
F   1
  1      4.2601401              1.0000000        
F   1
  1      2.2628512              1.0000000        
F   1
  1      1.1335847              1.0000000        
F   1
  1      0.5744651              1.0000000        
F   1
  1      0.2627817              1.0000000        
F   1
  1      0.1379050              1.0000000        
F   1
  1      0.0737795              1.0000000        
G   1
  1      7.6351933              1.0000000        
G   1
  1      3.7786883              1.0000000        
G   1
  1      1.8378179              1.0000000        
G   1
  1      0.9490085              1.0000000        
G   1
  1      0.4496997              1.0000000        
G   1
  1      0.1892232              1.0000000        
G   1
  1      0.0841571              1.0000000        
H   1
  1      3.8725112              1.0000000        
H   1
  1      2.3257508              1.0000000        
H   1
  1      1.0719232              1.0000000        
H   1
  1      0.4814586              1.0000000        
I   1
  1      3.5714249              1.0000000        
I   1
  1      1.9861364              1.0000000        
I   1
  1      0.9689220              1.0000000        


name: aug-cc-pVTZ-PP MP2 Fitting
description: MP2 auxiliary basis for use with aug-cc-pVTZ-PP AO basis set
elt: Hf
data:
HAFNIUM
S   1
  1      0.0033850              1.0000000        
P   1
  1      0.0032140              1.0000000        
D   1
  1      0.0026810              1.0000000        
F   1
  1      0.0271330              1.0000000        
G   1
  1      0.0400460              1.0000000        
H   1
  1      0.1235530              1.0000000        
I   1
  1      0.2700160              1.0000000        


name: aug-cc-pVTZ-PP MP2 Fitting
description: MP2 auxiliary basis for use with aug-cc-pVTZ-PP AO basis set
elt: Ta
data:
TANTALUM
S   1
  1      0.0045110              1.0000000        
P   1
  1      0.0034320              1.0000000        
D   1
  1      0.0028750              1.0000000        
F   1
  1      0.0293670              1.0000000        
G   1
  1      0.0537690              1.0000000        
H   1
  1      0.1695310              1.0000000        
I   1
  1      0.3720270              1.0000000        


name: aug-cc-pVTZ-PP MP2 Fitting
description: MP2 auxiliary basis for use with aug-cc-pVTZ-PP AO basis set
elt: W
data:
TUNGSTEN
S   1
  1      0.0049230              1.0000000        
P   1
  1      0.0035620              1.0000000        
D   1
  1      0.0034140              1.0000000        
F   1
  1      0.0318720              1.0000000        
G   1
  1      0.0680750              1.0000000        
H   1
  1      0.2116930              1.0000000        
I   1
  1      0.4990550              1.0000000        


name: aug-cc-pVTZ-PP MP2 Fitting
description: MP2 auxiliary basis for use with aug-cc-pVTZ-PP AO basis set
elt: Re
data:
RHENIUM
S   1
  1      0.0034970              1.0000000        
P   1
  1      0.0088250              1.0000000        
D   1
  1      0.0046370              1.0000000        
F   1
  1      0.0886390              1.0000000        
G   1
  1      0.0987410              1.0000000        
H   1
  1      0.2709810              1.0000000        
I   1
  1      0.6306410              1.0000000        


name: aug-cc-pVTZ-PP MP2 Fitting
description: MP2 auxiliary basis for use with aug-cc-pVTZ-PP AO basis set
elt: Os
data:
OSMIUM
S   1
  1      0.0067000              1.0000000        
P   1
  1      0.0046240              1.0000000        
D   1
  1      0.0057760              1.0000000        
F   1
  1      0.0372120              1.0000000        
G   1
  1      0.0835680              1.0000000        
H   1
  1      0.2891340              1.0000000        
I   1
  1      0.7080580              1.0000000        


name: aug-cc-pVTZ-PP MP2 Fitting
description: MP2 auxiliary basis for use with aug-cc-pVTZ-PP AO basis set
elt: Ir
data:
IRIDIUM
S   1
  1      0.0057350              1.0000000        
P   1
  1      0.0061120              1.0000000        
D   1
  1      0.0115060              1.0000000        
F   1
  1      0.0345070              1.0000000        
G   1
  1      0.1134010              1.0000000        
H   1
  1      0.3463610              1.0000000        
I   1
  1      0.8344040              1.0000000        


name: aug-cc-pVTZ-PP MP2 Fitting
description: MP2 auxiliary basis for use with aug-cc-pVTZ-PP AO basis set
elt: Pt
data:
PLATINUM
S   1
  1      0.0103770              1.0000000        
P   1
  1      0.0109990              1.0000000        
D   1
  1      0.0175920              1.0000000        
F   1
  1      0.0351040              1.0000000        
G   1
  1      0.1062380              1.0000000        
H   1
  1      0.3806310              1.0000000        
I   1
  1      0.9277760              1.0000000        


name: aug-cc-pVTZ-PP MP2 Fitting
description: MP2 auxiliary basis for use with aug-cc-pVTZ-PP AO basis set
elt: Pd
data:
PALLADIUM
S   1
  1      9.0382975              1.0000000        
S   1
  1      5.4761768              1.0000000        
S   1
  1      3.3285644              1.0000000        
S   1
  1      2.2078774              1.0000000        
S   1
  1      1.1903026              1.0000000        
S   1
  1      0.4900523              1.0000000        
S   1
  1      0.2533605              1.0000000        
S   1
  1      0.0982824              1.0000000        
S   1
  1      0.0498678              1.0000000        
S   1
  1      0.0299555              1.0000000        
S   1
  1      0.0145451              1.0000000        
P   1
  1     11.9697981              1.0000000        
P   1
  1      5.6857085              1.0000000        
P   1
  1      3.4805149              1.0000000        
P   1
  1      2.0796735              1.0000000        
P   1
  1      0.9876288              1.0000000        
P   1
  1      0.5424818              1.0000000        
P   1
  1      0.2753221              1.0000000        
P   1
  1      0.1091642              1.0000000        
P   1
  1      0.0513719              1.0000000        
P   1
  1      0.0253095              1.0000000        
P   1
  1      0.0190030              1.0000000        
D   1
  1      7.1849295              1.0000000        
D   1
  1      4.9729939              1.0000000        
D   1
  1      3.7203978              1.0000000        
D   1
  1      1.6117779              1.0000000        
D   1
  1      1.0273875              1.0000000        
D   1
  1      0.4843141              1.0000000        
D   1
  1      0.2465700              1.0000000        
D   1
  1      0.1017735              1.0000000        
D   1
  1      0.0501839              1.0000000        
D   1
  1      0.0369219              1.0000000        
F   1
  1      6.9879245              1.0000000        
F   1
  1      4.2601401              1.0000000        
F   1
  1      2.2628512              1.0000000        
F   1
  1      1.1335847              1.0000000        
F   1
  1      0.5744651              1.0000000        
F   1
  1      0.2627817              1.0000000        
F   1
  1      0.1379050              1.0000000        
F   1
  1      0.0737795              1.0000000        
G   1
  1      7.6351933              1.0000000        
G   1
  1      3.7786883              1.0000000        
G   1
  1      1.8378179              1.0000000        
G   1
  1      0.9490085              1.0000000        
G   1
  1      0.4496997              1.0000000        
G   1
  1      0.1892232              1.0000000        
G   1
  1      0.0841571              1.0000000        
H   1
  1      3.8725112              1.0000000        
H   1
  1      2.3257508              1.0000000        
H   1
  1      1.0719232              1.0000000        
H   1
  1      0.4814586              1.0000000        
I   1
  1      3.5714249              1.0000000        
I   1
  1      1.9861364              1.0000000        
I   1
  1      0.9689220              1.0000000        


name: aug-cc-pVTZ-PP MP2 Fitting
description: aug-cc-pVTZ-PP/MP2Fit auxiliary basis set diffuse functions
elt: Hf
data:
HAFNIUM
S   1
  1      0.0033850              1.0000000        
P   1
  1      0.0032140              1.0000000        
D   1
  1      0.0026810              1.0000000        
F   1
  1      0.0271330              1.0000000        
G   1
  1      0.0400460              1.0000000        
H   1
  1      0.1235530              1.0000000        
I   1
  1      0.2700160              1.0000000        


name: aug-cc-pVTZ-PP-RI Diffuse
elt: Cu
data:
COPPER
S   1
  1      0.33151300000E-01            1.0000000        
P   1
  1      0.40345600000E-01            1.0000000        
D   1
  1      0.73775200000E-01            1.0000000        
F   1
  1      0.12162900000          1.0000000        
G   1
  1      0.24235800000          1.0000000        
H   1
  1      0.91667700000          1.0000000        
I   1
  1      2.2370900000           1.0000000        


name: aug-cc-pVTZ-PP-RI Diffuse
elt: Zn
data:
ZINC
S   1
  1      0.39118600000E-01            1.0000000        
P   1
  1      0.47607800000E-01            1.0000000        
D   1
  1      0.87054700000E-01            1.0000000        
F   1
  1      0.14352200000          1.0000000        
G   1
  1      0.28598300000          1.0000000        
H   1
  1      1.0816800000           1.0000000        
I   1
  1      2.6397700000           1.0000000        


name: aug-cc-pVTZ-PP-RI Diffuse
elt: Ag
data:
SILVER
S   1
  1      0.15353000000E-01            1.0000000        
P   1
  1      0.20861200000E-01            1.0000000        
D   1
  1      0.35359100000E-01            1.0000000        
F   1
  1      0.57147400000E-01            1.0000000        
G   1
  1      0.16825000000          1.0000000        
H   1
  1      0.63331600000          1.0000000        
I   1
  1      1.1927000000           1.0000000        


name: aug-cc-pVTZ-PP-RI Diffuse
elt: Cd
data:
CADMIUM
S   1
  1      0.18189300000E-01            1.0000000        
P   1
  1      0.24701000000E-01            1.0000000        
D   1
  1      0.41814300000E-01            1.0000000        
F   1
  1      0.69621800000E-01            1.0000000        
G   1
  1      0.21643100000          1.0000000        
H   1
  1      0.74053900000          1.0000000        
I   1
  1      1.3708100000           1.0000000        


name: aug-cc-pVTZ-PP-RI Diffuse
elt: Au
data:
GOLD
S   1
  1      0.12318400000E-01            1.0000000        
P   1
  1      0.16780500000E-01            1.0000000        
D   1
  1      0.28362800000E-01            1.0000000        
F   1
  1      0.47117000000E-01            1.0000000        
G   1
  1      0.13160900000          1.0000000        
H   1
  1      0.42198200000          1.0000000        
I   1
  1      0.91962100000          1.0000000        


name: aug-cc-pVTZ-PP-RI Diffuse
elt: Hg
data:
MERCURY
S   1
  1      0.14703200000E-01            1.0000000        
P   1
  1      0.19851000000E-01            1.0000000        
D   1
  1      0.33553100000E-01            1.0000000        
F   1
  1      0.57025400000E-01            1.0000000        
G   1
  1      0.16693800000          1.0000000        
H   1
  1      0.52088700000          1.0000000        
I   1
  1      1.0828200000           1.0000000        


name: aug-cc-pVTZ-PP-RI Diffuse
elt: Ga
data:
GALLIUM
S   1
  1      0.33307600000E-01            1.0000000        
P   1
  1      0.39524800000E-01            1.0000000        
D   1
  1      0.50834400000E-01            1.0000000        
F   1
  1      0.69148300000E-01            1.0000000        
G   1
  1      0.15617800000          1.0000000        
H   1
  1      0.37206600000          1.0000000        


name: aug-cc-pVTZ-PP-RI Diffuse
elt: Ge
data:
GERMANIUM
S   1
  1      0.39687800000E-01            1.0000000        
P   1
  1      0.63912700000E-01            1.0000000        
D   1
  1      0.55001800000E-01            1.0000000        
F   1
  1      0.10388500000          1.0000000        
G   1
  1      0.21894700000          1.0000000        
H   1
  1      0.44190700000          1.0000000        


name: aug-cc-pVTZ-PP-RI Diffuse
elt: As
data:
ARSENIC
S   1
  1      0.46683800000E-01            1.0000000        
P   1
  1      0.80098500000E-01            1.0000000        
D   1
  1      0.62289400000E-01            1.0000000        
F   1
  1      0.12559200000          1.0000000        
G   1
  1      0.25445000000          1.0000000        
H   1
  1      0.56559800000          1.0000000        


name: aug-cc-pVTZ-PP-RI Diffuse
elt: Se
data:
SELENIUM
S   1
  1      0.59197300000E-01            1.0000000        
P   1
  1      0.10119200000          1.0000000        
D   1
  1      0.81167300000E-01            1.0000000        
F   1
  1      0.16177100000          1.0000000        
G   1
  1      0.30804900000          1.0000000        
H   1
  1      0.60683200000          1.0000000        


name: aug-cc-pVTZ-PP-RI Diffuse
elt: Br
data:
BROMINE
S   1
  1      0.77043800000E-01            1.0000000        
P   1
  1      0.12512300000          1.0000000        
D   1
  1      0.10825500000          1.0000000        
F   1
  1      0.20178700000          1.0000000        
G   1
  1      0.40765700000          1.0000000        
H   1
  1      0.75465300000          1.0000000        


name: aug-cc-pVTZ-PP-RI Diffuse
elt: Kr
data:
KRYPTON
S   1
  1      0.12418100000          1.0000000        
P   1
  1      0.17379400000          1.0000000        
D   1
  1      0.16213800000          1.0000000        
F   1
  1      0.25310200000          1.0000000        
G   1
  1      0.51275400000          1.0000000        
H   1
  1      1.3398000000           1.0000000        


name: aug-cc-pVTZ-PP-RI Diffuse
elt: In
data:
INDIUM
S   1
  1      0.27056100000E-01            1.0000000        
P   1
  1      0.34351900000E-01            1.0000000        
D   1
  1      0.48756600000E-01            1.0000000        
F   1
  1      0.60184400000E-01            1.0000000        
G   1
  1      0.13752900000          1.0000000        
H   1
  1      0.30048800000          1.0000000        


name: aug-cc-pVTZ-PP-RI Diffuse
elt: Sn
data:
TIN
S   1
  1      0.44235900000E-01            1.0000000        
P   1
  1      0.54253100000E-01            1.0000000        
D   1
  1      0.64029400000E-01            1.0000000        
F   1
  1      0.87230700000E-01            1.0000000        
G   1
  1      0.17785500000          1.0000000        
H   1
  1      0.33846100000          1.0000000        


name: aug-cc-pVTZ-PP-RI Diffuse
elt: Sb
data:
ANTIMONY
S   1
  1      0.42975100000E-01            1.0000000        
P   1
  1      0.67991200000E-01            1.0000000        
D   1
  1      0.56373300000E-01            1.0000000        
F   1
  1      0.10173500000          1.0000000        
G   1
  1      0.20439000000          1.0000000        
H   1
  1      0.40212400000          1.0000000        


name: aug-cc-pVTZ-PP-RI Diffuse
elt: Te
data:
TELLURIUM
S   1
  1      0.52185300000E-01            1.0000000        
P   1
  1      0.83717200000E-01            1.0000000        
D   1
  1      0.70192200000E-01            1.0000000        
F   1
  1      0.12803800000          1.0000000        
G   1
  1      0.24050500000          1.0000000        
H   1
  1      0.43054000000          1.0000000        


name: aug-cc-pVTZ-PP-RI Diffuse
elt: I
data:
IODINE
S   1
  1      0.64947400000E-01            1.0000000        
P   1
  1      0.10008300000          1.0000000        
D   1
  1      0.85978200000E-01            1.0000000        
F   1
  1      0.15788100000          1.0000000        
G   1
  1      0.31088100000          1.0000000        
H   1
  1      0.49419800000          1.0000000        


name: aug-cc-pVTZ-PP-RI Diffuse
elt: Xe
data:
XENON
S   1
  1      0.98226000000E-01            1.0000000        
P   1
  1      0.13837400000          1.0000000        
D   1
  1      0.11232200000          1.0000000        
F   1
  1      0.21242300000          1.0000000        
G   1
  1      0.40260400000          1.0000000        
H   1
  1      0.90671200000          1.0000000        


name: aug-cc-pVTZ-PP-RI Diffuse
elt: Hg
data:
MERCURY
S   1
  1      0.14703200000E-01            1.0000000        
P   1
  1      0.19851000000E-01            1.0000000        
D   1
  1      0.33553100000E-01            1.0000000        
F   1
  1      0.57025400000E-01            1.0000000        
G   1
  1      0.16693800000          1.0000000        
H   1
  1      0.52088700000          1.0000000        
I   1
  1      1.0828200000           1.0000000        


name: aug-cc-pVTZ-PP-RI Diffuse
elt: Tl
data:
THALLIUM
S   1
  1      0.17968300000E-01            1.0000000        
P   1
  1      0.33731700000E-01            1.0000000        
D   1
  1      0.31091900000E-01            1.0000000        
F   1
  1      0.55115600000E-01            1.0000000        
G   1
  1      0.15401300000          1.0000000        
H   1
  1      0.34310900000          1.0000000        


name: aug-cc-pVTZ-PP-RI Diffuse
elt: Pb
data:
LEAD
S   1
  1      0.34564700000E-01            1.0000000        
P   1
  1      0.53317900000E-01            1.0000000        
D   1
  1      0.50969000000E-01            1.0000000        
F   1
  1      0.80199900000E-01            1.0000000        
G   1
  1      0.18373300000          1.0000000        
H   1
  1      0.36039000000          1.0000000        


name: aug-cc-pVTZ-PP-RI Diffuse
elt: Bi
data:
BISMUTH
S   1
  1      0.43674000000E-01            1.0000000        
P   1
  1      0.66843600000E-01            1.0000000        
D   1
  1      0.56668500000E-01            1.0000000        
F   1
  1      0.94403400000E-01            1.0000000        
G   1
  1      0.19668200000          1.0000000        
H   1
  1      0.41124000000          1.0000000        


name: aug-cc-pVTZ-PP-RI Diffuse
elt: Po
data:
POLONIUM
S   1
  1      0.52182700000E-01            1.0000000        
P   1
  1      0.79377400000E-01            1.0000000        
D   1
  1      0.67926500000E-01            1.0000000        
F   1
  1      0.11367200000          1.0000000        
G   1
  1      0.22235200000          1.0000000        
H   1
  1      0.45412500000          1.0000000        


name: aug-cc-pVTZ-PP-RI Diffuse
elt: At
data:
ASTATINE
S   1
  1      0.65300100000E-01            1.0000000        
P   1
  1      0.93760200000E-01            1.0000000        
D   1
  1      0.84902600000E-01            1.0000000        
F   1
  1      0.13768800000          1.0000000        
G   1
  1      0.28209300000          1.0000000        
H   1
  1      0.51295300000          1.0000000        


name: aug-cc-pVTZ-PP-RI Diffuse
elt: Rn
data:
RADON
S   1
  1      0.96410200000E-01            1.0000000        
P   1
  1      0.12399200000          1.0000000        
D   1
  1      0.99273100000E-01            1.0000000        
F   1
  1      0.18605600000          1.0000000        
G   1
  1      0.36197300000          1.0000000        
H   1
  1      0.60393000000          1.0000000        


name: aug-cc-pVTZ-PP-new
description: N/A
elt: I
data:
IODINE
S   9
  1      5.546500E+03           1.560000E-04     
  2      8.382140E+02           9.860000E-04     
  3      1.821870E+02           2.792000E-03     
  4      3.121230E+01          -4.325100E-02     
  5      1.953140E+01           2.341340E-01     
  6      8.240990E+00          -7.509430E-01     
  7      2.194550E+00           8.829680E-01     
  8      1.109110E+00           4.620610E-01     
  9      8.106100E-02           1.102000E-03     
S   9
  1      5.546500E+03          -7.300000E-05     
  2      8.382140E+02          -5.080000E-04     
  3      1.821870E+02          -1.158000E-03     
  4      3.121230E+01           1.219300E-02     
  5      1.953140E+01          -8.785400E-02     
  6      8.240990E+00           3.382000E-01     
  7      2.194550E+00          -5.765500E-01     
  8      1.109110E+00          -4.092980E-01     
  9      8.106100E-02           1.432310E-01     
S   1
  1      3.746410E-01           1.0000000        
S   1
  1      1.770800E-01           1.0000000        
S   1
  1      1.001000E-01           1.0000000        
S   1
  1      4.120000E-02           1.0000000        
P   9
  1      1.889880E+02           5.850000E-04     
  2      2.128680E+01           3.692300E-02     
  3      1.003960E+01          -2.353240E-01     
  4      3.451800E+00           3.414830E-01     
  5      1.974560E+00           5.347880E-01     
  6      1.024200E+00           2.651410E-01     
  7      4.494370E-01           2.578700E-02     
  8      1.866480E-01           5.220000E-04     
  9      7.348100E-02           6.060000E-04     
P   9
  1      1.889880E+02          -2.560000E-04     
  2      2.128680E+01          -1.168200E-02     
  3      1.003960E+01           8.319200E-02     
  4      3.451800E+00          -1.569700E-01     
  5      1.974560E+00          -2.245180E-01     
  6      1.024200E+00          -1.144510E-01     
  7      4.494370E-01           3.753560E-01     
  8      1.866480E-01           5.751360E-01     
  9      7.348100E-02           2.459170E-01     
P   1
  1      5.981000E-01           1.0000000        
P   1
  1      9.618000E-02           1.0000000        
P   1
  1      3.590000E-02           1.0000000        
D   7
  1      1.326620E+02           5.720000E-04     
  2      3.760540E+01           4.402000E-03     
  3      1.038910E+01          -4.092200E-02     
  4      6.490170E+00           9.966100E-02     
  5      3.454510E+00           3.226630E-01     
  6      1.844130E+00           4.003430E-01     
  7      9.624780E-01           2.683060E-01     
D   1
  1      4.728530E-01           1.0000000        
D   1
  1      1.932000E-01           1.0000000        
D   1
  1      7.820000E-02           1.0000000        
F   1
  1      4.064000E-01           1.0000000        
F   1
  1      1.848000E-01           1.0000000        


name: aug-cc-pVTZ-PP_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVTZ-PP orbital basis sets
elt: Cu
data:
COPPER
S   1
  1     15.7721900              1.0000000        
S   1
  1     10.5744700              1.0000000        
S   1
  1      4.1727000              1.0000000        
S   1
  1      2.6091000              1.0000000        
S   1
  1      1.7545010              1.0000000        
S   1
  1      0.9524060              1.0000000        
S   1
  1      0.3594860              1.0000000        
P   1
  1     24.6157200              1.0000000        
P   1
  1      8.4652000              1.0000000        
P   1
  1      4.8475730              1.0000000        
P   1
  1      2.1782000              1.0000000        
P   1
  1      1.4537210              1.0000000        
P   1
  1      0.2864400              1.0000000        
D   1
  1     19.2536200              1.0000000        
D   1
  1     10.6972500              1.0000000        
D   1
  1      5.9415000              1.0000000        
D   1
  1      3.3806000              1.0000000        
D   1
  1      1.1746550              1.0000000        
D   1
  1      0.4592230              1.0000000        
F   1
  1     40.5299000              1.0000000        
F   1
  1     12.2237300              1.0000000        
F   1
  1      2.8804730              1.0000000        
F   1
  1      1.9227800              1.0000000        
F   1
  1      0.6804820              1.0000000        
G   1
  1     19.5433400              1.0000000        
G   1
  1      8.6183000              1.0000000        
G   1
  1      5.2316340              1.0000000        
G   1
  1      2.1983820              1.0000000        
G   1
  1      0.6200380              1.0000000        
H   1
  1     15.8827700              1.0000000        
H   1
  1      6.7627560              1.0000000        
H   1
  1      2.8311860              1.0000000        
H   1
  1      1.1309880              1.0000000        
I   1
  1      5.4682390              1.0000000        


name: aug-cc-pVTZ-PP_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVTZ-PP orbital basis sets
elt: Zn
data:
ZINC
S   1
  1     18.0156600              1.0000000        
S   1
  1     12.0880700              1.0000000        
S   1
  1      4.5786000              1.0000000        
S   1
  1      2.8641000              1.0000000        
S   1
  1      1.9284740              1.0000000        
S   1
  1      1.0441780              1.0000000        
S   1
  1      0.4211660              1.0000000        
P   1
  1     56.6060600              1.0000000        
P   1
  1     14.6815800              1.0000000        
P   1
  1      9.2192000              1.0000000        
P   1
  1      5.2228110              1.0000000        
P   1
  1      2.3491000              1.0000000        
P   1
  1      1.1160830              1.0000000        
D   1
  1     23.7157300              1.0000000        
D   1
  1     11.3172500              1.0000000        
D   1
  1      6.6860000              1.0000000        
D   1
  1      4.0411000              1.0000000        
D   1
  1      2.6941890              1.0000000        
D   1
  1      0.6540230              1.0000000        
F   1
  1     35.2811000              1.0000000        
F   1
  1     13.1821700              1.0000000        
F   1
  1      8.7979740              1.0000000        
F   1
  1      2.9859060              1.0000000        
F   1
  1      0.8090970              1.0000000        
G   1
  1     23.8968200              1.0000000        
G   1
  1      9.7523000              1.0000000        
G   1
  1      6.4981750              1.0000000        
G   1
  1      2.5669490              1.0000000        
G   1
  1      0.7415720              1.0000000        
H   1
  1     20.7236100              1.0000000        
H   1
  1      8.2648140              1.0000000        
H   1
  1      3.6335050              1.0000000        
H   1
  1      1.4885070              1.0000000        
I   1
  1      6.4232100              1.0000000        


name: aug-cc-pVTZ-PP_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVTZ-PP orbital basis sets
elt: Ag
data:
SILVER
S   1
  1     12.9880100              1.0000000        
S   1
  1      8.6662790              1.0000000        
S   1
  1      5.7638620              1.0000000        
S   1
  1      2.2252000              1.0000000        
S   1
  1      1.3969000              1.0000000        
S   1
  1      0.9330580              1.0000000        
S   1
  1      0.4387890              1.0000000        
P   1
  1     13.3073000              1.0000000        
P   1
  1      8.9584390              1.0000000        
P   1
  1      3.5359000              1.0000000        
P   1
  1      1.2402000              1.0000000        
P   1
  1      0.8365060              1.0000000        
P   1
  1      0.3466010              1.0000000        
D   1
  1     56.0864700              1.0000000        
D   1
  1     12.6350100              1.0000000        
D   1
  1      8.3996330              1.0000000        
D   1
  1      4.4524000              1.0000000        
D   1
  1      1.5748000              1.0000000        
D   1
  1      0.6887130              1.0000000        
F   1
  1     18.4005100              1.0000000        
F   1
  1      5.8492330              1.0000000        
F   1
  1      3.8949010              1.0000000        
F   1
  1      1.3934570              1.0000000        
F   1
  1      0.4319710              1.0000000        
G   1
  1     18.1892300              1.0000000        
G   1
  1     12.1284200              1.0000000        
G   1
  1      3.4990000              1.0000000        
G   1
  1      1.0602030              1.0000000        
G   1
  1      0.4485200              1.0000000        
H   1
  1      6.5612130              1.0000000        
H   1
  1      3.7654840              1.0000000        
H   1
  1      1.8351940              1.0000000        
H   1
  1      0.7682030              1.0000000        
I   1
  1      2.2677190              1.0000000        


name: aug-cc-pVTZ-PP_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVTZ-PP orbital basis sets
elt: Cd
data:
CADMIUM
S   1
  1     14.0033000              1.0000000        
S   1
  1      9.3781600              1.0000000        
S   1
  1      6.2810640              1.0000000        
S   1
  1      2.3847000              1.0000000        
S   1
  1      1.4979000              1.0000000        
S   1
  1      0.9230580              1.0000000        
S   1
  1      0.4476570              1.0000000        
P   1
  1     14.1936900              1.0000000        
P   1
  1      9.6352000              1.0000000        
P   1
  1      3.8946000              1.0000000        
P   1
  1      1.3110000              1.0000000        
P   1
  1      0.8908050              1.0000000        
P   1
  1      0.3519550              1.0000000        
D   1
  1     53.1135200              1.0000000        
D   1
  1     14.6220100              1.0000000        
D   1
  1      8.5679360              1.0000000        
D   1
  1      5.0344000              1.0000000        
D   1
  1      1.8041000              1.0000000        
D   1
  1      0.7707920              1.0000000        
F   1
  1     12.5015000              1.0000000        
F   1
  1      4.7847500              1.0000000        
F   1
  1      1.9146020              1.0000000        
F   1
  1      1.2761520              1.0000000        
F   1
  1      0.5075280              1.0000000        
G   1
  1      9.0379910              1.0000000        
G   1
  1      6.0128280              1.0000000        
G   1
  1      3.8914000              1.0000000        
G   1
  1      1.2249850              1.0000000        
G   1
  1      0.4278500              1.0000000        
H   1
  1      7.3591130              1.0000000        
H   1
  1      3.8335400              1.0000000        
H   1
  1      1.8353910              1.0000000        
H   1
  1      0.7685240              1.0000000        
I   1
  1      2.5584550              1.0000000        


name: aug-cc-pVTZ-PP_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVTZ-PP orbital basis sets
elt: Au
data:
GOLD
S   1
  1     15.8646600              1.0000000        
S   1
  1     10.5863500              1.0000000        
S   1
  1      7.0672090              1.0000000        
S   1
  1      2.9724350              1.0000000        
S   1
  1      1.9834000              1.0000000        
S   1
  1      1.2448000              1.0000000        
S   1
  1      0.8319210              1.0000000        
P   1
  1     11.7883500              1.0000000        
P   1
  1      8.0161500              1.0000000        
P   1
  1      2.6637000              1.0000000        
P   1
  1      1.1410000              1.0000000        
P   1
  1      0.7680020              1.0000000        
P   1
  1      0.1822350              1.0000000        
D   1
  1     11.5463000              1.0000000        
D   1
  1      7.7001940              1.0000000        
D   1
  1      3.4696000              1.0000000        
D   1
  1      1.2171000              1.0000000        
D   1
  1      0.5904350              1.0000000        
D   1
  1      0.2063210              1.0000000        
F   1
  1      5.7087640              1.0000000        
F   1
  1      3.8055220              1.0000000        
F   1
  1      2.5389910              1.0000000        
F   1
  1      0.8029970              1.0000000        
F   1
  1      0.3058530              1.0000000        
G   1
  1      6.0586110              1.0000000        
G   1
  1      4.0649930              1.0000000        
G   1
  1      2.7283000              1.0000000        
G   1
  1      0.8213260              1.0000000        
G   1
  1      0.3668080              1.0000000        
H   1
  1      5.1133800              1.0000000        
H   1
  1      3.4081930              1.0000000        
H   1
  1      1.6497500              1.0000000        
H   1
  1      0.7040980              1.0000000        
I   1
  1      1.7233740              1.0000000        


name: aug-cc-pVTZ-PP_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVTZ-PP orbital basis sets
elt: Hg
data:
MERCURY
S   1
  1     20.3403200              1.0000000        
S   1
  1     13.5899500              1.0000000        
S   1
  1      9.0798070              1.0000000        
S   1
  1      3.1756500              1.0000000        
S   1
  1      2.1304000              1.0000000        
S   1
  1      1.3378000              1.0000000        
S   1
  1      0.5272570              1.0000000        
P   1
  1     11.8058700              1.0000000        
P   1
  1      8.0785100              1.0000000        
P   1
  1      2.8228000              1.0000000        
P   1
  1      1.1949000              1.0000000        
P   1
  1      0.8019890              1.0000000        
P   1
  1      0.1913850              1.0000000        
D   1
  1     11.8098900              1.0000000        
D   1
  1      7.8919990              1.0000000        
D   1
  1      3.7153000              1.0000000        
D   1
  1      1.3573000              1.0000000        
D   1
  1      0.6721510              1.0000000        
D   1
  1      0.4037470              1.0000000        
F   1
  1      7.2773820              1.0000000        
F   1
  1      4.8571940              1.0000000        
F   1
  1      3.2423690              1.0000000        
F   1
  1      0.8100520              1.0000000        
F   1
  1      0.3271110              1.0000000        
G   1
  1      9.9730510              1.0000000        
G   1
  1      6.6487690              1.0000000        
G   1
  1      4.4367660              1.0000000        
G   1
  1      2.9668000              1.0000000        
G   1
  1      0.4200240              1.0000000        
H   1
  1      7.1550830              1.0000000        
H   1
  1      4.2724950              1.0000000        
H   1
  1      1.9604390              1.0000000        
H   1
  1      0.8778760              1.0000000        
I   1
  1      1.8817780              1.0000000        


name: aug-cc-pVTZ-RI diffuse
description: N/A
elt: H
data:
HYDROGEN
S   1
  1      0.12719436063          1.0000000        
P   1
  1      0.23551289521          1.0000000        
D   1
  1      0.43665405053          1.0000000        
F   1
  1      0.25297787763          1.0000000        


name: aug-cc-pVTZ-RI diffuse
description: N/A
elt: He
data:
HELIUM
S   1
  1      0.87263816280E-01            1.0000000        
P   1
  1      0.24000663932          1.0000000        
D   1
  1      0.80340665713          1.0000000        


name: aug-cc-pVTZ-RI diffuse
description: N/A
elt: B
data:
BORON
S   1
  1      0.63060508493E-01            1.0000000        
P   1
  1      0.64508175700E-01            1.0000000        
D   1
  1      0.64348794203E-01            1.0000000        
F   1
  1      0.12024392666          1.0000000        
G   1
  1      0.25023189780          1.0000000        


name: aug-cc-pVTZ-RI diffuse
description: N/A
elt: C
data:
CARBON
S   1
  1      0.10153627861          1.0000000        
P   1
  1      0.11505954436          1.0000000        
D   1
  1      0.14890456005          1.0000000        
F   1
  1      0.20179277037          1.0000000        
G   1
  1      0.43599752945          1.0000000        


name: aug-cc-pVTZ-RI diffuse
description: N/A
elt: N
data:
NITROGEN
S   1
  1      0.10109736226          1.0000000        
P   1
  1      0.14810183674          1.0000000        
D   1
  1      0.13410649139          1.0000000        
F   1
  1      0.28858743337          1.0000000        
G   1
  1      0.59981188305          1.0000000        


name: aug-cc-pVTZ-RI diffuse
description: N/A
elt: O
data:
OXYGEN
S   1
  1      0.11211820118          1.0000000        
P   1
  1      0.21354459926          1.0000000        
D   1
  1      0.16734574676          1.0000000        
F   1
  1      0.40383704543          1.0000000        
G   1
  1      0.78655757162          1.0000000        


name: aug-cc-pVTZ-RI diffuse
description: N/A
elt: F
data:
FLUORINE
S   1
  1      0.16036333505          1.0000000        
P   1
  1      0.27964440052          1.0000000        
D   1
  1      0.25104879478          1.0000000        
F   1
  1      0.54566142891          1.0000000        
G   1
  1      1.1028184369           1.0000000        


name: aug-cc-pVTZ-RI diffuse
description: N/A
elt: Ne
data:
NEON
S   1
  1      0.25533924399          1.0000000        
P   1
  1      0.39641689912          1.0000000        
D   1
  1      0.33257330099          1.0000000        
F   1
  1      0.73705250831          1.0000000        
G   1
  1      1.5785006538           1.0000000        


name: aug-cc-pVTZ-RI diffuse
description: N/A
elt: Al
data:
ALUMINUM
S   1
  1      0.48543337036E-01            1.0000000        
P   1
  1      0.31796335776E-01            1.0000000        
D   1
  1      0.79493936783E-01            1.0000000        
F   1
  1      0.69775902524E-01            1.0000000        
G   1
  1      0.11561755717          1.0000000        


name: aug-cc-pVTZ-RI diffuse
description: N/A
elt: Si
data:
SILICON
S   1
  1      0.72333167756E-01            1.0000000        
P   1
  1      0.65396946777E-01            1.0000000        
D   1
  1      0.11023921964          1.0000000        
F   1
  1      0.11118652900          1.0000000        
G   1
  1      0.20000343242          1.0000000        


name: aug-cc-pVTZ-RI diffuse
description: N/A
elt: P
data:
PHOSPHOROUS
S   1
  1      0.50828031060E-01            1.0000000        
P   1
  1      0.89763566127E-01            1.0000000        
D   1
  1      0.77524539620E-01            1.0000000        
F   1
  1      0.14225917049          1.0000000        
G   1
  1      0.27056437513          1.0000000        


name: aug-cc-pVTZ-RI diffuse
description: N/A
elt: S
data:
SULFUR
S   1
  1      0.66586192238E-01            1.0000000        
P   1
  1      0.11946504342          1.0000000        
D   1
  1      0.96752404967E-01            1.0000000        
F   1
  1      0.19655074387          1.0000000        
G   1
  1      0.35774378208          1.0000000        


name: aug-cc-pVTZ-RI diffuse
description: N/A
elt: Cl
data:
CHLORINE
S   1
  1      0.92695553335E-01            1.0000000        
P   1
  1      0.15133298951          1.0000000        
D   1
  1      0.14102900292          1.0000000        
F   1
  1      0.25075597124          1.0000000        
G   1
  1      0.48334884461          1.0000000        


name: aug-cc-pVTZ-RI diffuse
description: N/A
elt: Ar
data:
ARGON
S   1
  1      0.88719890000E-01            1.0000000        
P   1
  1      0.14573991784          1.0000000        
D   1
  1      0.19303766548          1.0000000        
F   1
  1      0.32057808076          1.0000000        
G   1
  1      0.67072648216          1.0000000        


name: aug-cc-pVTZ-RI diffuse
description: N/A
elt: Ga
data:
GALLIUM
S   1
  1      0.66907365746E-01            1.0000000        
P   1
  1      0.67353194172E-01            1.0000000        
D   1
  1      0.81245696063E-01            1.0000000        
F   1
  1      0.72809157783E-01            1.0000000        
G   1
  1      0.13836370517          1.0000000        


name: aug-cc-pVTZ-RI diffuse
description: N/A
elt: Ge
data:
GERMANIUM
S   1
  1      0.68456832533E-01            1.0000000        
P   1
  1      0.62952752868E-01            1.0000000        
D   1
  1      0.93719538811E-01            1.0000000        
F   1
  1      0.10391387147          1.0000000        
G   1
  1      0.21313134732          1.0000000        


name: aug-cc-pVTZ-RI diffuse
description: N/A
elt: As
data:
ARSENIC
S   1
  1      0.44510539358E-01            1.0000000        
P   1
  1      0.77565378252E-01            1.0000000        
D   1
  1      0.64849366320E-01            1.0000000        
F   1
  1      0.13197336307          1.0000000        
G   1
  1      0.26889635998          1.0000000        


name: aug-cc-pVTZ-RI diffuse
description: N/A
elt: Se
data:
SELENIUM
S   1
  1      0.59231987243E-01            1.0000000        
P   1
  1      0.94953496087E-01            1.0000000        
D   1
  1      0.84832618318E-01            1.0000000        
F   1
  1      0.16171862063          1.0000000        
G   1
  1      0.31324898123          1.0000000        


name: aug-cc-pVTZ-RI diffuse
description: N/A
elt: Br
data:
BROMINE
S   1
  1      0.95725454946E-01            1.0000000        
P   1
  1      0.10320557000          1.0000000        
D   1
  1      0.12313503253          1.0000000        
F   1
  1      0.19945647738          1.0000000        
G   1
  1      0.43233681670          1.0000000        


name: aug-cc-pVTZ-RI diffuse
description: N/A
elt: Kr
data:
KRYPTON
S   1
  1      0.78958258477E-01            1.0000000        
P   1
  1      0.10367144547          1.0000000        
D   1
  1      0.16260914954          1.0000000        
F   1
  1      0.25907858896          1.0000000        
G   1
  1      0.53594545709          1.0000000        


name: aug-cc-pVTZ_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVnZ orbital basis sets
elt: H
data:
HYDROGEN
S   1
  1      1.7470550              1.0000000        
S   1
  1      0.4888250              1.0000000        
S   1
  1      0.2076740              1.0000000        
P   1
  1      4.8370960              1.0000000        
P   1
  1      2.1141910              1.0000000        
P   1
  1      0.7026260              1.0000000        
D   1
  1      1.7849140              1.0000000        
D   1
  1      0.6175130              1.0000000        
F   1
  1      1.9187250              1.0000000        


name: aug-cc-pVTZ_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVnZ orbital basis sets
elt: He
data:
HELIUM
S   1
  1      4.7766510              1.0000000        
S   1
  1      1.0273960              1.0000000        
S   1
  1      0.3124060              1.0000000        
P   1
  1      7.7011780              1.0000000        
P   1
  1      2.0313920              1.0000000        
P   1
  1      0.1190650              1.0000000        
D   1
  1      4.5412270              1.0000000        
D   1
  1      1.0478080              1.0000000        
F   1
  1      2.4275120              1.0000000        


name: aug-cc-pVTZ_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVnZ orbital basis sets
elt: B
data:
BORON
S   1
  1      2.2671480              1.0000000        
S   1
  1      0.8800790              1.0000000        
S   1
  1      0.2447880              1.0000000        
S   1
  1      0.0461640              1.0000000        
P   1
  1      2.4841420              1.0000000        
P   1
  1      0.7528550              1.0000000        
P   1
  1      0.4190740              1.0000000        
P   1
  1      0.1156080              1.0000000        
P   1
  1      0.0401160              1.0000000        
D   1
  1      4.8473750              1.0000000        
D   1
  1      1.3974980              1.0000000        
D   1
  1      0.3936640              1.0000000        
D   1
  1      0.0908640              1.0000000        
F   1
  1      1.8840320              1.0000000        
F   1
  1      0.8787800              1.0000000        
F   1
  1      0.2700710              1.0000000        
G   1
  1      1.0223720              1.0000000        
G   1
  1      0.3753310              1.0000000        


name: aug-cc-pVTZ_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVnZ orbital basis sets
elt: C
data:
CARBON
S   1
  1      3.9642050              1.0000000        
S   1
  1      1.3508990              1.0000000        
S   1
  1      0.3471600              1.0000000        
S   1
  1      0.0712960              1.0000000        
P   1
  1      3.3634370              1.0000000        
P   1
  1      1.0793800              1.0000000        
P   1
  1      0.5719810              1.0000000        
P   1
  1      0.1805510              1.0000000        
P   1
  1      0.0536290              1.0000000        
D   1
  1      4.9484350              1.0000000        
D   1
  1      2.0420780              1.0000000        
D   1
  1      0.4992050              1.0000000        
D   1
  1      0.1497380              1.0000000        
F   1
  1      3.4897200              1.0000000        
F   1
  1      1.3604080              1.0000000        
F   1
  1      0.5069690              1.0000000        
G   1
  1      1.6030840              1.0000000        
G   1
  1      0.5832310              1.0000000        


name: aug-cc-pVTZ_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVnZ orbital basis sets
elt: N
data:
NITROGEN
S   1
  1      5.8477420              1.0000000        
S   1
  1      2.0001550              1.0000000        
S   1
  1      0.4941380              1.0000000        
S   1
  1      0.0863850              1.0000000        
P   1
  1      4.4463680              1.0000000        
P   1
  1      1.4548940              1.0000000        
P   1
  1      0.8850870              1.0000000        
P   1
  1      0.2580350              1.0000000        
P   1
  1      0.0734520              1.0000000        
D   1
  1      7.9836110              1.0000000        
D   1
  1      3.4268080              1.0000000        
D   1
  1      0.7908440              1.0000000        
D   1
  1      0.2395990              1.0000000        
F   1
  1      5.4040350              1.0000000        
F   1
  1      2.0241770              1.0000000        
F   1
  1      0.7290710              1.0000000        
G   1
  1      2.5286770              1.0000000        
G   1
  1      0.9505390              1.0000000        


name: aug-cc-pVTZ_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVnZ orbital basis sets
elt: O
data:
OXYGEN
S   1
  1     11.3525810              1.0000000        
S   1
  1      3.3758930              1.0000000        
S   1
  1      0.4533020              1.0000000        
S   1
  1      0.1104370              1.0000000        
P   1
  1      5.4560910              1.0000000        
P   1
  1      2.3525840              1.0000000        
P   1
  1      1.0679520              1.0000000        
P   1
  1      0.3301450              1.0000000        
P   1
  1      0.0893680              1.0000000        
D   1
  1     12.0698490              1.0000000        
D   1
  1      4.2787000              1.0000000        
D   1
  1      1.3747810              1.0000000        
D   1
  1      0.3193270              1.0000000        
F   1
  1      6.9152510              1.0000000        
F   1
  1      3.2424930              1.0000000        
F   1
  1      0.7499350              1.0000000        
G   1
  1      3.1413190              1.0000000        
G   1
  1      1.0754710              1.0000000        


name: aug-cc-pVTZ_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVnZ orbital basis sets
elt: F
data:
FLUORINE
S   1
  1     16.2490860              1.0000000        
S   1
  1      3.3814200              1.0000000        
S   1
  1      1.0996880              1.0000000        
S   1
  1      0.1373010              1.0000000        
P   1
  1      7.6657940              1.0000000        
P   1
  1      3.0196150              1.0000000        
P   1
  1      1.3629930              1.0000000        
P   1
  1      0.4042330              1.0000000        
P   1
  1      0.1517170              1.0000000        
D   1
  1     16.2177680              1.0000000        
D   1
  1      5.6999140              1.0000000        
D   1
  1      2.0227140              1.0000000        
D   1
  1      0.4381950              1.0000000        
F   1
  1      9.8128910              1.0000000        
F   1
  1      4.8118310              1.0000000        
F   1
  1      1.0807210              1.0000000        
G   1
  1      4.0534990              1.0000000        
G   1
  1      1.3579070              1.0000000        


name: aug-cc-pVTZ_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVnZ orbital basis sets
elt: Ne
data:
NEON
S   1
  1     21.7638680              1.0000000        
S   1
  1      4.4564600              1.0000000        
S   1
  1      1.4799290              1.0000000        
S   1
  1      0.2236740              1.0000000        
P   1
  1      8.8150200              1.0000000        
P   1
  1      3.5110110              1.0000000        
P   1
  1      1.7043880              1.0000000        
P   1
  1      0.5458350              1.0000000        
P   1
  1      0.2194280              1.0000000        
D   1
  1     36.0260060              1.0000000        
D   1
  1     11.0592340              1.0000000        
D   1
  1      1.7659490              1.0000000        
D   1
  1      0.6389530              1.0000000        
F   1
  1     13.0362870              1.0000000        
F   1
  1      7.6031790              1.0000000        
F   1
  1      1.6025530              1.0000000        
G   1
  1      5.1878530              1.0000000        
G   1
  1      1.7994760              1.0000000        


name: aug-cc-pVTZ_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVnZ orbital basis sets
elt: Al
data:
ALUMINUM
S   1
  1      3.9522820              1.0000000        
S   1
  1      0.4992660              1.0000000        
S   1
  1      0.1136130              1.0000000        
S   1
  1      0.0342020              1.0000000        
P   1
  1      4.3226840              1.0000000        
P   1
  1      1.9794900              1.0000000        
P   1
  1      1.3229000              1.0000000        
P   1
  1      0.4387020              1.0000000        
P   1
  1      0.0305890              1.0000000        
D   1
  1      9.2862280              1.0000000        
D   1
  1      2.3523380              1.0000000        
D   1
  1      0.4988180              1.0000000        
D   1
  1      0.1663920              1.0000000        
F   1
  1      1.3241760              1.0000000        
F   1
  1      0.4109700              1.0000000        
F   1
  1      0.1506400              1.0000000        
G   1
  1      0.4818550              1.0000000        
G   1
  1      0.2259170              1.0000000        


name: aug-cc-pVTZ_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVnZ orbital basis sets
elt: Si
data:
SILICON
S   1
  1      6.5782740              1.0000000        
S   1
  1      0.7017370              1.0000000        
S   1
  1      0.1677000              1.0000000        
S   1
  1      0.0511820              1.0000000        
P   1
  1      7.2071580              1.0000000        
P   1
  1      2.1878490              1.0000000        
P   1
  1      1.3682450              1.0000000        
P   1
  1      0.3834360              1.0000000        
P   1
  1      0.0399350              1.0000000        
D   1
  1     10.0654090              1.0000000        
D   1
  1      4.1416080              1.0000000        
D   1
  1      0.9188210              1.0000000        
D   1
  1      0.2559090              1.0000000        
F   1
  1      2.9190560              1.0000000        
F   1
  1      0.5155120              1.0000000        
F   1
  1      0.2244170              1.0000000        
G   1
  1      0.6519090              1.0000000        
G   1
  1      0.3176700              1.0000000        


name: aug-cc-pVTZ_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVnZ orbital basis sets
elt: P
data:
PHOSPHOROUS
S   1
  1      8.2324400              1.0000000        
S   1
  1      1.4034300              1.0000000        
S   1
  1      0.3101870              1.0000000        
S   1
  1      0.0660430              1.0000000        
P   1
  1      9.6778770              1.0000000        
P   1
  1      2.5253700              1.0000000        
P   1
  1      1.2013060              1.0000000        
P   1
  1      0.3966700              1.0000000        
P   1
  1      0.0459970              1.0000000        
D   1
  1     13.6486590              1.0000000        
D   1
  1      4.6678810              1.0000000        
D   1
  1      2.0793380              1.0000000        
D   1
  1      0.3266950              1.0000000        
F   1
  1      4.2525360              1.0000000        
F   1
  1      0.6887660              1.0000000        
F   1
  1      0.3019800              1.0000000        
G   1
  1      0.8484670              1.0000000        
G   1
  1      0.4037330              1.0000000        


name: aug-cc-pVTZ_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVnZ orbital basis sets
elt: S
data:
SULFUR
S   1
  1      7.1544480              1.0000000        
S   1
  1      1.7056790              1.0000000        
S   1
  1      0.3879650              1.0000000        
S   1
  1      0.0799490              1.0000000        
P   1
  1     12.3430660              1.0000000        
P   1
  1      3.4969470              1.0000000        
P   1
  1      1.6303970              1.0000000        
P   1
  1      0.5394130              1.0000000        
P   1
  1      0.0564700              1.0000000        
D   1
  1     19.2901410              1.0000000        
D   1
  1      7.3717540              1.0000000        
D   1
  1      1.8762860              1.0000000        
D   1
  1      0.4365220              1.0000000        
F   1
  1      5.4398970              1.0000000        
F   1
  1      0.8572980              1.0000000        
F   1
  1      0.3723600              1.0000000        
G   1
  1      1.0512970              1.0000000        
G   1
  1      0.4871740              1.0000000        


name: aug-cc-pVTZ_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVnZ orbital basis sets
elt: Cl
data:
CHLORINE
S   1
  1      7.6159120              1.0000000        
S   1
  1      1.7009310              1.0000000        
S   1
  1      0.4736950              1.0000000        
S   1
  1      0.1084980              1.0000000        
P   1
  1     13.8389550              1.0000000        
P   1
  1      4.1705200              1.0000000        
P   1
  1      1.9624920              1.0000000        
P   1
  1      0.5556280              1.0000000        
P   1
  1      0.0847390              1.0000000        
D   1
  1     24.8750520              1.0000000        
D   1
  1     10.0803690              1.0000000        
D   1
  1      2.0236740              1.0000000        
D   1
  1      0.5084740              1.0000000        
F   1
  1      6.8531320              1.0000000        
F   1
  1      1.0625280              1.0000000        
F   1
  1      0.4718520              1.0000000        
G   1
  1      1.2891180              1.0000000        
G   1
  1      0.5923200              1.0000000        


name: aug-cc-pVTZ_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVnZ orbital basis sets
elt: Ar
data:
ARGON
S   1
  1      8.6144650              1.0000000        
S   1
  1      1.8927430              1.0000000        
S   1
  1      0.5698370              1.0000000        
S   1
  1      0.1306560              1.0000000        
P   1
  1     16.8243680              1.0000000        
P   1
  1      6.3006820              1.0000000        
P   1
  1      2.8069490              1.0000000        
P   1
  1      0.5350510              1.0000000        
P   1
  1      0.0825950              1.0000000        
D   1
  1     31.2553800              1.0000000        
D   1
  1     12.4499870              1.0000000        
D   1
  1      2.3563880              1.0000000        
D   1
  1      0.6428840              1.0000000        
F   1
  1      8.1895310              1.0000000        
F   1
  1      1.3323360              1.0000000        
F   1
  1      0.6026280              1.0000000        
G   1
  1      1.5693630              1.0000000        
G   1
  1      0.7470470              1.0000000        


name: aug-cc-pwCV5Z
description: 5Z4P Quintuple Zeta + Polarization on All Atoms
elt: B
data:
BORON
S   10
  1  68260.0000000              0.0000240        
  2  10230.0000000              0.0001850        
  3   2328.0000000              0.0009700        
  4    660.4000000              0.0040560        
  5    216.2000000              0.0143990        
  6     78.6000000              0.0439010        
  7     30.9800000              0.1130570        
  8     12.9600000              0.2338250        
  9      5.6590000              0.3539600        
 10      2.5560000              0.3015470        
S   10
  1  68260.0000000             -0.0000050        
  2  10230.0000000             -0.0000370        
  3   2328.0000000             -0.0001960        
  4    660.4000000             -0.0008240        
  5    216.2000000             -0.0029230        
  6     78.6000000             -0.0091380        
  7     30.9800000             -0.0241050        
  8     12.9600000             -0.0547550        
  9      5.6590000             -0.0969430        
 10      2.5560000             -0.1374850        
S   1
  1      1.1750000              1.0000000        
S   1
  1      0.4249000              1.0000000        
S   1
  1      0.1712000              1.0000000        
S   1
  1      0.0691300              1.0000000        
S   1
  1      5.8140000              1.0000000        
S   1
  1     12.8940000              1.0000000        
S   1
  1     28.5950000              1.0000000        
S   1
  1     63.4190000              1.0000000        
S   1
  1      0.0261000              1.0000000        
P   4
  1     66.4400000              0.0008380        
  2     15.7100000              0.0064090        
  3      4.9360000              0.0280810        
  4      1.7700000              0.0921520        
P   1
  1      0.7008000              1.0000000        
P   1
  1      0.2901000              1.0000000        
P   1
  1      0.1211000              1.0000000        
P   1
  1      0.0497300              1.0000000        
P   1
  1      3.9740000              1.0000000        
P   1
  1     10.2720000              1.0000000        
P   1
  1     26.5480000              1.0000000        
P   1
  1     68.6130000              1.0000000        
P   1
  1      0.0157000              1.0000000        
D   1
  1      2.0100000              1.0000000        
D   1
  1      0.7960000              1.0000000        
D   1
  1      0.3160000              1.0000000        
D   1
  1      0.1250000              1.0000000        
D   1
  1      4.9550000              1.0000000        
D   1
  1     14.6710000              1.0000000        
D   1
  1     43.4370000              1.0000000        
D   1
  1      0.0431000              1.0000000        
F   1
  1      1.2150000              1.0000000        
F   1
  1      0.5250000              1.0000000        
F   1
  1      0.2270000              1.0000000        
F   1
  1      4.2920000              1.0000000        
F   1
  1     20.4500000              1.0000000        
F   1
  1      0.0843000              1.0000000        
G   1
  1      1.1240000              1.0000000        
G   1
  1      0.4610000              1.0000000        
G   1
  1      4.3880000              1.0000000        
G   1
  1      0.2020000              1.0000000        
H   1
  1      0.8340000              1.0000000        
H   1
  1      0.3840000              1.0000000        


name: aug-cc-pwCV5Z
description: 5Z4P Quintuple Zeta + Polarization on All Atoms
elt: C
data:
CARBON
S   10
  1  96770.0000000              0.0000250        
  2  14500.0000000              0.0001900        
  3   3300.0000000              0.0010000        
  4    935.8000000              0.0041830        
  5    306.2000000              0.0148590        
  6    111.3000000              0.0453010        
  7     43.9000000              0.1165040        
  8     18.4000000              0.2402490        
  9      8.0540000              0.3587990        
 10      3.6370000              0.2939410        
S   10
  1  96770.0000000             -0.0000050        
  2  14500.0000000             -0.0000410        
  3   3300.0000000             -0.0002130        
  4    935.8000000             -0.0008970        
  5    306.2000000             -0.0031870        
  6    111.3000000             -0.0099610        
  7     43.9000000             -0.0263750        
  8     18.4000000             -0.0600010        
  9      8.0540000             -0.1068250        
 10      3.6370000             -0.1441660        
S   1
  1      1.6560000              1.0000000        
S   1
  1      0.6333000              1.0000000        
S   1
  1      0.2545000              1.0000000        
S   1
  1      0.1019000              1.0000000        
S   1
  1      7.9670000              1.0000000        
S   1
  1     17.4520000              1.0000000        
S   1
  1     38.2260000              1.0000000        
S   1
  1     83.7310000              1.0000000        
S   1
  1      0.0394000              1.0000000        
P   4
  1    101.8000000              0.0008910        
  2     24.0400000              0.0069760        
  3      7.5710000              0.0316690        
  4      2.7320000              0.1040060        
P   1
  1      1.0850000              1.0000000        
P   1
  1      0.4496000              1.0000000        
P   1
  1      0.1876000              1.0000000        
P   1
  1      0.0760600              1.0000000        
P   1
  1      6.0800000              1.0000000        
P   1
  1     15.3580000              1.0000000        
P   1
  1     38.7990000              1.0000000        
P   1
  1     98.0170000              1.0000000        
P   1
  1      0.0272000              1.0000000        
D   1
  1      3.1340000              1.0000000        
D   1
  1      1.2330000              1.0000000        
D   1
  1      0.4850000              1.0000000        
D   1
  1      0.1910000              1.0000000        
D   1
  1      7.5910000              1.0000000        
D   1
  1     21.4190000              1.0000000        
D   1
  1     60.4390000              1.0000000        
D   1
  1      0.0701000              1.0000000        
F   1
  1      2.0060000              1.0000000        
F   1
  1      0.8380000              1.0000000        
F   1
  1      0.3500000              1.0000000        
F   1
  1      6.6980000              1.0000000        
F   1
  1     24.3980000              1.0000000        
F   1
  1      0.1380000              1.0000000        
G   1
  1      1.7530000              1.0000000        
G   1
  1      0.6780000              1.0000000        
G   1
  1      7.3110000              1.0000000        
G   1
  1      0.3190000              1.0000000        
H   1
  1      1.2590000              1.0000000        
H   1
  1      0.5860000              1.0000000        


name: aug-cc-pwCV5Z
description: 5Z4P Quintuple Zeta + Polarization on All Atoms
elt: N
data:
NITROGEN
S   10
  1 129200.0000000              0.0000250        
  2  19350.0000000              0.0001970        
  3   4404.0000000              0.0010320        
  4   1248.0000000              0.0043250        
  5    408.0000000              0.0153800        
  6    148.2000000              0.0468670        
  7     58.5000000              0.1201160        
  8     24.5900000              0.2456950        
  9     10.8100000              0.3613790        
 10      4.8820000              0.2872830        
S   10
  1 129200.0000000             -0.0000060        
  2  19350.0000000             -0.0000430        
  3   4404.0000000             -0.0002270        
  4   1248.0000000             -0.0009580        
  5    408.0000000             -0.0034160        
  6    148.2000000             -0.0106670        
  7     58.5000000             -0.0282790        
  8     24.5900000             -0.0640200        
  9     10.8100000             -0.1139320        
 10      4.8820000             -0.1469950        
S   1
  1      2.1950000              1.0000000        
S   1
  1      0.8715000              1.0000000        
S   1
  1      0.3504000              1.0000000        
S   1
  1      0.1397000              1.0000000        
S   1
  1     10.4220000              1.0000000        
S   1
  1     22.5960000              1.0000000        
S   1
  1     48.9930000              1.0000000        
S   1
  1    106.2260000              1.0000000        
S   1
  1      0.0518000              1.0000000        
P   4
  1    147.0000000              0.0008920        
  2     34.7600000              0.0070820        
  3     11.0000000              0.0328160        
  4      3.9950000              0.1082090        
P   1
  1      1.5870000              1.0000000        
P   1
  1      0.6533000              1.0000000        
P   1
  1      0.2686000              1.0000000        
P   1
  1      0.1067000              1.0000000        
P   1
  1      8.7660000              1.0000000        
P   1
  1     21.6760000              1.0000000        
P   1
  1     53.6000000              1.0000000        
P   1
  1    132.5440000              1.0000000        
P   1
  1      0.0369000              1.0000000        
D   1
  1      4.6470000              1.0000000        
D   1
  1      1.8130000              1.0000000        
D   1
  1      0.7070000              1.0000000        
D   1
  1      0.2760000              1.0000000        
D   1
  1     11.0160000              1.0000000        
D   1
  1     29.8060000              1.0000000        
D   1
  1     80.6430000              1.0000000        
D   1
  1      0.0971000              1.0000000        
F   1
  1      2.9420000              1.0000000        
F   1
  1      1.2040000              1.0000000        
F   1
  1      0.4930000              1.0000000        
F   1
  1      9.4860000              1.0000000        
F   1
  1     30.7520000              1.0000000        
F   1
  1      0.1920000              1.0000000        
G   1
  1      2.5110000              1.0000000        
G   1
  1      0.9420000              1.0000000        
G   1
  1     10.8350000              1.0000000        
G   1
  1      0.4360000              1.0000000        
H   1
  1      1.7680000              1.0000000        
H   1
  1      0.7880000              1.0000000        


name: aug-cc-pwCV5Z
description: 5Z4P Quintuple Zeta + Polarization on All Atoms
elt: O
data:
OXYGEN
S   10
  1 164200.0000000              0.0000260        
  2  24590.0000000              0.0002050        
  3   5592.0000000              0.0010760        
  4   1582.0000000              0.0045220        
  5    516.1000000              0.0161080        
  6    187.2000000              0.0490850        
  7     73.9300000              0.1248570        
  8     31.2200000              0.2516860        
  9     13.8100000              0.3624200        
 10      6.2560000              0.2790510        
S   10
  1 164200.0000000             -0.0000060        
  2  24590.0000000             -0.0000460        
  3   5592.0000000             -0.0002440        
  4   1582.0000000             -0.0010310        
  5    516.1000000             -0.0036880        
  6    187.2000000             -0.0115140        
  7     73.9300000             -0.0304350        
  8     31.2200000             -0.0681470        
  9     13.8100000             -0.1203680        
 10      6.2560000             -0.1482600        
S   1
  1      2.7760000              1.0000000        
S   1
  1      1.1380000              1.0000000        
S   1
  1      0.4600000              1.0000000        
S   1
  1      0.1829000              1.0000000        
S   1
  1     12.9410000              1.0000000        
S   1
  1     28.2000000              1.0000000        
S   1
  1     61.4490000              1.0000000        
S   1
  1    133.9000000              1.0000000        
S   1
  1      0.0655000              1.0000000        
P   4
  1    195.5000000              0.0009180        
  2     46.1600000              0.0073880        
  3     14.5800000              0.0349580        
  4      5.2960000              0.1154310        
P   1
  1      2.0940000              1.0000000        
P   1
  1      0.8471000              1.0000000        
P   1
  1      0.3368000              1.0000000        
P   1
  1      0.1285000              1.0000000        
P   1
  1     11.5600000              1.0000000        
P   1
  1     28.3210000              1.0000000        
P   1
  1     69.3870000              1.0000000        
P   1
  1    169.9980000              1.0000000        
P   1
  1      0.0446000              1.0000000        
D   1
  1      5.8790000              1.0000000        
D   1
  1      2.3070000              1.0000000        
D   1
  1      0.9050000              1.0000000        
D   1
  1      0.3550000              1.0000000        
D   1
  1     14.0080000              1.0000000        
D   1
  1     37.2450000              1.0000000        
D   1
  1     99.0260000              1.0000000        
D   1
  1      0.1310000              1.0000000        
F   1
  1      4.0160000              1.0000000        
F   1
  1      1.5540000              1.0000000        
F   1
  1      0.6010000              1.0000000        
F   1
  1     12.6530000              1.0000000        
F   1
  1     38.7370000              1.0000000        
F   1
  1      0.2370000              1.0000000        
G   1
  1      3.3500000              1.0000000        
G   1
  1      1.1890000              1.0000000        
G   1
  1     14.8860000              1.0000000        
G   1
  1      0.5170000              1.0000000        
H   1
  1      2.3190000              1.0000000        
H   1
  1      1.0240000              1.0000000        


name: aug-cc-pwCV5Z
description: 5Z4P Quintuple Zeta + Polarization on All Atoms
elt: F
data:
FLUORINE
S   10
  1 211400.0000000              0.0000260        
  2  31660.0000000              0.0002010        
  3   7202.0000000              0.0010560        
  4   2040.0000000              0.0044320        
  5    666.4000000              0.0157660        
  6    242.0000000              0.0481120        
  7     95.5300000              0.1232320        
  8     40.2300000              0.2515190        
  9     17.7200000              0.3645250        
 10      8.0050000              0.2797660        
S   10
  1 211400.0000000             -0.0000060        
  2  31660.0000000             -0.0000470        
  3   7202.0000000             -0.0002440        
  4   2040.0000000             -0.0010310        
  5    666.4000000             -0.0036830        
  6    242.0000000             -0.0115130        
  7     95.5300000             -0.0306630        
  8     40.2300000             -0.0695720        
  9     17.7200000             -0.1239920        
 10      8.0050000             -0.1502140        
S   1
  1      3.5380000              1.0000000        
S   1
  1      1.4580000              1.0000000        
S   1
  1      0.5887000              1.0000000        
S   1
  1      0.2324000              1.0000000        
S   1
  1     16.2490000              1.0000000        
S   1
  1     35.0330000              1.0000000        
S   1
  1     75.5310000              1.0000000        
S   1
  1    162.8450000              1.0000000        
S   1
  1      0.0806000              1.0000000        
P   4
  1    241.9000000              0.0010020        
  2     57.1700000              0.0080540        
  3     18.1300000              0.0380480        
  4      6.6240000              0.1237790        
P   1
  1      2.6220000              1.0000000        
P   1
  1      1.0570000              1.0000000        
P   1
  1      0.4176000              1.0000000        
P   1
  1      0.1574000              1.0000000        
P   1
  1     14.5470000              1.0000000        
P   1
  1     35.3800000              1.0000000        
P   1
  1     86.0510000              1.0000000        
P   1
  1    209.2930000              1.0000000        
P   1
  1      0.0550000              1.0000000        
D   1
  1      7.7600000              1.0000000        
D   1
  1      3.0320000              1.0000000        
D   1
  1      1.1850000              1.0000000        
D   1
  1      0.4630000              1.0000000        
D   1
  1     18.3330000              1.0000000        
D   1
  1     47.6340000              1.0000000        
D   1
  1    123.7710000              1.0000000        
D   1
  1      0.1720000              1.0000000        
F   1
  1      5.3980000              1.0000000        
F   1
  1      2.0780000              1.0000000        
F   1
  1      0.8000000              1.0000000        
F   1
  1     16.6460000              1.0000000        
F   1
  1     49.4130000              1.0000000        
F   1
  1      0.3310000              1.0000000        
G   1
  1      4.3380000              1.0000000        
G   1
  1      1.5130000              1.0000000        
G   1
  1     19.6090000              1.0000000        
G   1
  1      0.6630000              1.0000000        
H   1
  1      2.9950000              1.0000000        
H   1
  1      1.3260000              1.0000000        


name: aug-cc-pwCV5Z
description: 5Z4P Quintuple Zeta + Polarization on All Atoms
elt: Ne
data:
NEON
S   10
  1 262700.0000000              0.0000260        
  2  39350.0000000              0.0002000        
  3   8955.0000000              0.0010500        
  4   2538.0000000              0.0044000        
  5    829.9000000              0.0156490        
  6    301.5000000              0.0477580        
  7    119.0000000              0.1229430        
  8     50.0000000              0.2524830        
  9     21.9800000              0.3663140        
 10      9.8910000              0.2796170        
S   10
  1 262700.0000000             -0.0000060        
  2  39350.0000000             -0.0000470        
  3   8955.0000000             -0.0002470        
  4   2538.0000000             -0.0010380        
  5    829.9000000             -0.0037110        
  6    301.5000000             -0.0115930        
  7    119.0000000             -0.0310860        
  8     50.0000000             -0.0709720        
  9     21.9800000             -0.1272660        
 10      9.8910000             -0.1512310        
S   1
  1      4.3270000              1.0000000        
S   1
  1      1.8040000              1.0000000        
S   1
  1      0.7288000              1.0000000        
S   1
  1      0.2867000              1.0000000        
S   1
  1     19.8560000              1.0000000        
S   1
  1     42.5410000              1.0000000        
S   1
  1     91.1390000              1.0000000        
S   1
  1    195.2560000              1.0000000        
S   1
  1      0.0957000              1.0000000        
P   4
  1    299.1000000              0.0010380        
  2     70.7300000              0.0083750        
  3     22.4800000              0.0396930        
  4      8.2460000              0.1280560        
P   1
  1      3.2690000              1.0000000        
P   1
  1      1.3150000              1.0000000        
P   1
  1      0.5158000              1.0000000        
P   1
  1      0.1918000              1.0000000        
P   1
  1     18.0930000              1.0000000        
P   1
  1     43.4690000              1.0000000        
P   1
  1    104.4380000              1.0000000        
P   1
  1    250.9190000              1.0000000        
P   1
  1      0.0654000              1.0000000        
D   1
  1      9.8370000              1.0000000        
D   1
  1      3.8440000              1.0000000        
D   1
  1      1.5020000              1.0000000        
D   1
  1      0.5870000              1.0000000        
D   1
  1     23.1150000              1.0000000        
D   1
  1     58.9830000              1.0000000        
D   1
  1    150.5080000              1.0000000        
D   1
  1      0.2130000              1.0000000        
F   1
  1      7.0900000              1.0000000        
F   1
  1      2.7380000              1.0000000        
F   1
  1      1.0570000              1.0000000        
F   1
  1     21.4600000              1.0000000        
F   1
  1     62.3680000              1.0000000        
F   1
  1      0.4250000              1.0000000        
G   1
  1      5.4600000              1.0000000        
G   1
  1      1.8800000              1.0000000        
G   1
  1     24.9730000              1.0000000        
G   1
  1      0.8090000              1.0000000        
H   1
  1      3.7760000              1.0000000        
H   1
  1      1.6280000              1.0000000        


name: aug-cc-pwCV5Z
description: 5Z4P Quintuple Zeta + Polarization on All Atoms
elt: Al
data:
ALUMINUM
S   11
  1 3269000.0000000             0.213962D-05     
  2 489400.0000000              0.166264D-04     
  3 111400.0000000              0.875168D-04     
  4  31560.0000000              0.368990D-03     
  5  10320.0000000              0.133903D-02     
  6   3731.0000000              0.435636D-02     
  7   1456.0000000              0.128955D-01     
  8    604.1000000              0.348201D-01     
  9    263.5000000              0.843530D-01     
 10    119.8000000              0.175907D+00     
 11     56.3200000              0.292091D+00     
S   11
  1 3269000.0000000            -0.556026D-06     
  2 489400.0000000             -0.432303D-05     
  3 111400.0000000             -0.227413D-04     
  4  31560.0000000             -0.960116D-04     
  5  10320.0000000             -0.348376D-03     
  6   3731.0000000             -0.113836D-02     
  7   1456.0000000             -0.338744D-02     
  8    604.1000000             -0.931505D-02     
  9    263.5000000             -0.233023D-01     
 10    119.8000000             -0.523486D-01     
 11     56.3200000             -0.999499D-01     
S   1
  1     27.1900000              1.0000000        
S   1
  1     13.2600000              1.0000000        
S   1
  1      6.0520000              1.0000000        
S   1
  1      2.9810000              1.0000000        
S   1
  1      1.4760000              1.0000000        
S   1
  1      0.7334000              1.0000000        
S   1
  1      0.2447000              1.0000000        
S   1
  1      0.1088000              1.0000000        
S   1
  1      0.0467200              1.0000000        
S   1
  1      0.0177000              1.0000000        
P   3
  1   1461.0000000              0.208613D-03     
  2    346.2000000              0.181005D-02     
  3    112.2000000              0.973433D-02     
P   1
  1     42.5100000              1.0000000        
P   1
  1     17.7200000              1.0000000        
P   1
  1      7.8520000              1.0000000        
P   1
  1      3.5710000              1.0000000        
P   1
  1      1.6370000              1.0000000        
P   1
  1      0.7382000              1.0000000        
P   1
  1      0.2577000              1.0000000        
P   1
  1      0.0977300              1.0000000        
P   1
  1      0.0369000              1.0000000        
P   1
  1      0.0115000              1.0000000        
D   1
  1      1.3170000              1.0000000        
D   1
  1      0.5260000              1.0000000        
D   1
  1      0.2100000              1.0000000        
D   1
  1      0.0840000              1.0000000        
D   1
  1      2.5890000              1.0000000        
D   1
  1      5.4360000              1.0000000        
D   1
  1     11.4150000              1.0000000        
D   1
  1     23.9730000              1.0000000        
D   1
  1      0.0294000              1.0000000        
F   1
  1      0.1300000              1.0000000        
F   1
  1      0.2580000              1.0000000        
F   1
  1      0.5130000              1.0000000        
F   1
  1      1.5020000              1.0000000        
F   1
  1      3.9740000              1.0000000        
F   1
  1     10.5130000              1.0000000        
F   1
  1      0.0509000              1.0000000        
G   1
  1      0.2520000              1.0000000        
G   1
  1      0.5430000              1.0000000        
G   1
  1      1.7460000              1.0000000        
G   1
  1      9.0060000              1.0000000        
G   1
  1      0.1069000              1.0000000        
H   1
  1      0.4460000              1.0000000        
H   1
  1      1.8300000              1.0000000        
H   1
  1      0.2270000              1.0000000        


name: aug-cc-pwCV5Z
description: 5Z4P Quintuple Zeta + Polarization on All Atoms
elt: Si
data:
SILICON
S   11
  1 3948000.0000000             0.203712D-05     
  2 591100.0000000              0.158394D-04     
  3 134500.0000000              0.833590D-04     
  4  38120.0000000              0.351361D-03     
  5  12460.0000000              0.127660D-02     
  6   4504.0000000              0.415191D-02     
  7   1758.0000000              0.123030D-01     
  8    729.1000000              0.333102D-01     
  9    318.0000000              0.809845D-01     
 10    144.6000000              0.170290D+00     
 11     67.9700000              0.286879D+00     
S   11
  1 3948000.0000000            -0.542085D-06     
  2 591100.0000000             -0.421677D-05     
  3 134500.0000000             -0.221813D-04     
  4  38120.0000000             -0.936028D-04     
  5  12460.0000000             -0.340116D-03     
  6   4504.0000000             -0.111061D-02     
  7   1758.0000000             -0.330878D-02     
  8    729.1000000             -0.911602D-02     
  9    318.0000000             -0.228790D-01     
 10    144.6000000             -0.517119D-01     
 11     67.9700000             -0.999091D-01     
S   1
  1     32.8200000              1.0000000        
S   1
  1     16.0300000              1.0000000        
S   1
  1      7.3960000              1.0000000        
S   1
  1      3.6610000              1.0000000        
S   1
  1      1.8230000              1.0000000        
S   1
  1      0.9147000              1.0000000        
S   1
  1      0.3393000              1.0000000        
S   1
  1      0.1500000              1.0000000        
S   1
  1      0.0643800              1.0000000        
S   1
  1      0.0260000              1.0000000        
P   3
  1   1780.0000000              0.201206D-03     
  2    421.8000000              0.174937D-02     
  3    136.7000000              0.948141D-02     
P   1
  1     51.8100000              1.0000000        
P   1
  1     21.6000000              1.0000000        
P   1
  1      9.5630000              1.0000000        
P   1
  1      4.3500000              1.0000000        
P   1
  1      2.0060000              1.0000000        
P   1
  1      0.9205000              1.0000000        
P   1
  1      0.3500000              1.0000000        
P   1
  1      0.1381000              1.0000000        
P   1
  1      0.0533800              1.0000000        
P   1
  1      0.0192000              1.0000000        
D   1
  1      0.1260000              1.0000000        
D   1
  1      0.3210000              1.0000000        
D   1
  1      0.8170000              1.0000000        
D   1
  1      2.0820000              1.0000000        
D   1
  1      2.7340000              1.0000000        
D   1
  1      6.0570000              1.0000000        
D   1
  1     13.4200000              1.0000000        
D   1
  1     29.7320000              1.0000000        
D   1
  1      0.0468000              1.0000000        
F   1
  1      0.1690000              1.0000000        
F   1
  1      0.3410000              1.0000000        
F   1
  1      0.6880000              1.0000000        
F   1
  1      1.9450000              1.0000000        
F   1
  1      5.1010000              1.0000000        
F   1
  1     13.3810000              1.0000000        
F   1
  1      0.0735000              1.0000000        
G   1
  1      0.3200000              1.0000000        
G   1
  1      0.7050000              1.0000000        
G   1
  1      2.1610000              1.0000000        
G   1
  1     11.4350000              1.0000000        
G   1
  1      0.1510000              1.0000000        
H   1
  1      0.5830000              1.0000000        
H   1
  1      2.2250000              1.0000000        
H   1
  1      0.3230000              1.0000000        


name: aug-cc-pwCV5Z
description: 5Z4P Quintuple Zeta + Polarization on All Atoms
elt: P
data:
PHOSPHOROUS
S   11
  1 4666000.0000000             0.196759D-05     
  2 698600.0000000              0.152963D-04     
  3 159000.0000000              0.804826D-04     
  4  45040.0000000              0.339737D-03     
  5  14720.0000000              0.123291D-02     
  6   5323.0000000              0.401345D-02     
  7   2076.0000000              0.119124D-01     
  8    861.1000000              0.322511D-01     
  9    375.7000000              0.786643D-01     
 10    170.8000000              0.166458D+00     
 11     80.2900000              0.283039D+00     
S   11
  1 4666000.0000000            -0.534153D-06     
  2 698600.0000000             -0.415422D-05     
  3 159000.0000000             -0.218484D-04     
  4  45040.0000000             -0.923272D-04     
  5  14720.0000000             -0.335109D-03     
  6   5323.0000000             -0.109508D-02     
  7   2076.0000000             -0.326798D-02     
  8    861.1000000             -0.899951D-02     
  9    375.7000000             -0.226528D-01     
 10    170.8000000             -0.514650D-01     
 11     80.2900000             -0.100186D+00     
S   1
  1     38.7700000              1.0000000        
S   1
  1     18.9300000              1.0000000        
S   1
  1      8.7960000              1.0000000        
S   1
  1      4.3580000              1.0000000        
S   1
  1      2.1740000              1.0000000        
S   1
  1      1.0950000              1.0000000        
S   1
  1      0.4400000              1.0000000        
S   1
  1      0.1945000              1.0000000        
S   1
  1      0.0837600              1.0000000        
S   1
  1      0.0335000              1.0000000        
P   3
  1   2010.0000000              0.215915D-03     
  2    476.3000000              0.187536D-02     
  3    154.4000000              0.101742D-01     
P   1
  1     58.5100000              1.0000000        
P   1
  1     24.4000000              1.0000000        
P   1
  1     10.8000000              1.0000000        
P   1
  1      4.9130000              1.0000000        
P   1
  1      2.2690000              1.0000000        
P   1
  1      1.0430000              1.0000000        
P   1
  1      0.4313000              1.0000000        
P   1
  1      0.1767000              1.0000000        
P   1
  1      0.0700900              1.0000000        
P   1
  1      0.0253000              1.0000000        
D   1
  1      0.1660000              1.0000000        
D   1
  1      0.4180000              1.0000000        
D   1
  1      1.0540000              1.0000000        
D   1
  1      2.6560000              1.0000000        
D   1
  1      3.5350000              1.0000000        
D   1
  1      7.7590000              1.0000000        
D   1
  1     17.0310000              1.0000000        
D   1
  1     37.3860000              1.0000000        
D   1
  1      0.0624000              1.0000000        
F   1
  1      0.2190000              1.0000000        
F   1
  1      0.4500000              1.0000000        
F   1
  1      0.9230000              1.0000000        
F   1
  1      2.5040000              1.0000000        
F   1
  1      6.5270000              1.0000000        
F   1
  1     17.0100000              1.0000000        
F   1
  1      0.0950000              1.0000000        
G   1
  1      0.4120000              1.0000000        
G   1
  1      0.9030000              1.0000000        
G   1
  1      2.6540000              1.0000000        
G   1
  1     14.1340000              1.0000000        
G   1
  1      0.1840000              1.0000000        
H   1
  1      0.7450000              1.0000000        
H   1
  1      2.7040000              1.0000000        
H   1
  1      0.3720000              1.0000000        


name: aug-cc-pwCV5Z
description: 5Z4P Quintuple Zeta + Polarization on All Atoms
elt: S
data:
SULFUR
S   11
  1 5481000.0000000             0.189338D-05     
  2 820600.0000000              0.147211D-04     
  3 186700.0000000              0.775084D-04     
  4  52880.0000000              0.327224D-03     
  5  17250.0000000              0.119365D-02     
  6   6226.0000000              0.388393D-02     
  7   2429.0000000              0.115336D-01     
  8   1007.0000000              0.312748D-01     
  9    439.5000000              0.764387D-01     
 10    199.8000000              0.162700D+00     
 11     93.9200000              0.279328D+00     
S   11
  1 5481000.0000000            -0.522912D-06     
  2 820600.0000000             -0.406690D-05     
  3 186700.0000000             -0.214065D-04     
  4  52880.0000000             -0.904540D-04     
  5  17250.0000000             -0.330080D-03     
  6   6226.0000000             -0.107782D-02     
  7   2429.0000000             -0.321874D-02     
  8   1007.0000000             -0.887217D-02     
  9    439.5000000             -0.223771D-01     
 10    199.8000000             -0.510577D-01     
 11     93.9200000             -0.100225D+00     
S   1
  1     45.3400000              1.0000000        
S   1
  1     22.1500000              1.0000000        
S   1
  1     10.3400000              1.0000000        
S   1
  1      5.1190000              1.0000000        
S   1
  1      2.5530000              1.0000000        
S   1
  1      1.2820000              1.0000000        
S   1
  1      0.5450000              1.0000000        
S   1
  1      0.2411000              1.0000000        
S   1
  1      0.1035000              1.0000000        
S   1
  1      0.0420000              1.0000000        
P   3
  1   2200.0000000              0.239049D-03     
  2    521.4000000              0.207686D-02     
  3    169.0000000              0.112363D-01     
P   1
  1     64.0500000              1.0000000        
P   1
  1     26.7200000              1.0000000        
P   1
  1     11.8300000              1.0000000        
P   1
  1      5.3780000              1.0000000        
P   1
  1      2.4820000              1.0000000        
P   1
  1      1.1160000              1.0000000        
P   1
  1      0.4848000              1.0000000        
P   1
  1      0.2006000              1.0000000        
P   1
  1      0.0795100              1.0000000        
P   1
  1      0.0294000              1.0000000        
D   1
  1      0.2050000              1.0000000        
D   1
  1      0.5120000              1.0000000        
D   1
  1      1.2810000              1.0000000        
D   1
  1      3.2030000              1.0000000        
D   1
  1      4.4900000              1.0000000        
D   1
  1      9.7130000              1.0000000        
D   1
  1     21.0130000              1.0000000        
D   1
  1     45.4580000              1.0000000        
D   1
  1      0.0794000              1.0000000        
F   1
  1      0.2550000              1.0000000        
F   1
  1      0.5290000              1.0000000        
F   1
  1      1.0960000              1.0000000        
F   1
  1      2.9980000              1.0000000        
F   1
  1      7.8370000              1.0000000        
F   1
  1     20.4850000              1.0000000        
F   1
  1      0.1188000              1.0000000        
G   1
  1      0.4630000              1.0000000        
G   1
  1      1.0710000              1.0000000        
G   1
  1      3.1540000              1.0000000        
G   1
  1     17.1010000              1.0000000        
G   1
  1      0.2200000              1.0000000        
H   1
  1      0.8720000              1.0000000        
H   1
  1      3.2310000              1.0000000        
H   1
  1      0.4720000              1.0000000        


name: aug-cc-pwCV5Z
description: 5Z4P Quintuple Zeta + Polarization on All Atoms
elt: Cl
data:
CHLORINE
S   11
  1 6410000.0000000             0.181350D-05     
  2 959600.0000000              0.141118D-04     
  3 218300.0000000              0.742406D-04     
  4  61810.0000000              0.314131D-03     
  5  20140.0000000              0.114642D-02     
  6   7264.0000000              0.373888D-02     
  7   2832.0000000              0.110946D-01     
  8   1175.0000000              0.301152D-01     
  9    512.6000000              0.739145D-01     
 10    233.0000000              0.158258D+00     
 11    109.5000000              0.274753D+00     
S   11
  1 6410000.0000000            -0.508303D-06     
  2 959600.0000000             -0.395633D-05     
  3 218300.0000000             -0.208095D-04     
  4  61810.0000000             -0.881175D-04     
  5  20140.0000000             -0.321742D-03     
  6   7264.0000000             -0.105277D-02     
  7   2832.0000000             -0.314183D-02     
  8   1175.0000000             -0.866363D-02     
  9    512.6000000             -0.219353D-01     
 10    233.0000000             -0.502584D-01     
 11    109.5000000             -0.995414D-01     
S   1
  1     52.8600000              1.0000000        
S   1
  1     25.8400000              1.0000000        
S   1
  1     12.1700000              1.0000000        
S   1
  1      6.0300000              1.0000000        
S   1
  1      3.0120000              1.0000000        
S   1
  1      1.5110000              1.0000000        
S   1
  1      0.6604000              1.0000000        
S   1
  1      0.2926000              1.0000000        
S   1
  1      0.1254000              1.0000000        
S   1
  1      0.0479000              1.0000000        
P   3
  1   2548.0000000              0.235702D-03     
  2    603.7000000              0.205158D-02     
  3    195.6000000              0.111543D-01     
P   1
  1     74.1500000              1.0000000        
P   1
  1     30.9400000              1.0000000        
P   1
  1     13.6900000              1.0000000        
P   1
  1      6.2290000              1.0000000        
P   1
  1      2.8780000              1.0000000        
P   1
  1      1.2820000              1.0000000        
P   1
  1      0.5641000              1.0000000        
P   1
  1      0.2348000              1.0000000        
P   1
  1      0.0931200              1.0000000        
P   1
  1      0.0348000              1.0000000        
D   1
  1      0.2500000              1.0000000        
D   1
  1      0.6180000              1.0000000        
D   1
  1      1.5290000              1.0000000        
D   1
  1      3.7810000              1.0000000        
D   1
  1      5.7310000              1.0000000        
D   1
  1     12.1520000              1.0000000        
D   1
  1     25.7700000              1.0000000        
D   1
  1     54.6490000              1.0000000        
D   1
  1      0.1003000              1.0000000        
F   1
  1      0.3200000              1.0000000        
F   1
  1      0.6560000              1.0000000        
F   1
  1      1.3450000              1.0000000        
F   1
  1      3.6390000              1.0000000        
F   1
  1      9.4950000              1.0000000        
F   1
  1     24.7740000              1.0000000        
F   1
  1      0.1640000              1.0000000        
G   1
  1      0.5560000              1.0000000        
G   1
  1      1.3020000              1.0000000        
G   1
  1      3.7560000              1.0000000        
G   1
  1     20.3680000              1.0000000        
G   1
  1      0.2770000              1.0000000        
H   1
  1      1.0530000              1.0000000        
H   1
  1      3.8360000              1.0000000        
H   1
  1      0.6070000              1.0000000        


name: aug-cc-pwCV5Z
description: 5Z4P Quintuple Zeta + Polarization on All Atoms
elt: Ar
data:
ARGON
S   11
  1 7401000.0000000             0.00000175       
  2 1108000.0000000             0.00001361       
  3 252100.0000000              0.00007163       
  4  71380.0000000              0.00030303       
  5  23260.0000000              0.00110608       
  6   8390.0000000              0.00360671       
  7   3271.0000000              0.01071321       
  8   1357.0000000              0.02910677       
  9    592.0000000              0.07166011       
 10    269.1000000              0.15414053       
 11    126.5000000              0.27041707       
S   11
  1 7401000.0000000            -0.00000050       
  2 1108000.0000000            -0.00000387       
  3 252100.0000000             -0.00002034       
  4  71380.0000000             -0.00008609       
  5  23260.0000000             -0.00031444       
  6   8390.0000000             -0.00102841       
  7   3271.0000000             -0.00307267       
  8   1357.0000000             -0.00847532       
  9    592.0000000             -0.02152008       
 10    269.1000000             -0.04944932       
 11    126.5000000             -0.09877592       
S   1
  1     61.0300000              1.0000000        
S   1
  1     29.8600000              1.0000000        
S   1
  1     14.1700000              1.0000000        
S   1
  1      7.0220000              1.0000000        
S   1
  1      3.5110000              1.0000000        
S   1
  1      1.7580000              1.0000000        
S   1
  1      0.7841000              1.0000000        
S   1
  1      0.3480000              1.0000000        
S   1
  1      0.1491000              1.0000000        
S   1
  1      0.0538000              1.0000000        
P   3
  1   2927.0000000              0.00023199       
  2    693.5000000              0.00202329       
  3    224.7000000              0.01103401       
P   1
  1     85.1700000              1.0000000        
P   1
  1     35.5300000              1.0000000        
P   1
  1     15.7300000              1.0000000        
P   1
  1      7.1650000              1.0000000        
P   1
  1      3.3220000              1.0000000        
P   1
  1      1.4780000              1.0000000        
P   1
  1      0.6552000              1.0000000        
P   1
  1      0.2751000              1.0000000        
P   1
  1      0.1097000              1.0000000        
P   1
  1      0.0402000              1.0000000        
D   1
  1      0.3090000              1.0000000        
D   1
  1      0.7700000              1.0000000        
D   1
  1      1.9170000              1.0000000        
D   1
  1      4.7760000              1.0000000        
D   1
  1      6.2510000              1.0000000        
D   1
  1     13.5750000              1.0000000        
D   1
  1     29.4820000              1.0000000        
D   1
  1     64.0290000              1.0000000        
D   1
  1      0.1210000              1.0000000        
F   1
  1      0.4080000              1.0000000        
F   1
  1      0.8250000              1.0000000        
F   1
  1      1.6680000              1.0000000        
F   1
  1      4.4170000              1.0000000        
F   1
  1     11.4600000              1.0000000        
F   1
  1     29.7360000              1.0000000        
F   1
  1      0.2090000              1.0000000        
G   1
  1      0.6650000              1.0000000        
G   1
  1      1.5620000              1.0000000        
G   1
  1      4.4270000              1.0000000        
G   1
  1     23.9030000              1.0000000        
G   1
  1      0.3340000              1.0000000        
H   1
  1      1.2640000              1.0000000        
H   1
  1      4.5180000              1.0000000        
H   1
  1      0.7420000              1.0000000        


name: aug-cc-pwCV5Z-DK
description: V5ZPD All-electron Douglas-Kroll Core-Valence Quintuple Zeta + Polarization
elt: Sc
data:
SCANDIUM
S   27
  1      1.19495E+08            5.919535E-06     
  2      2.14992E+07            1.431359E-05     
  3      4.80703E+06            4.104556E-05     
  4      1.28440E+06            9.797419E-05     
  5 396595.0000000              0.0002223775     
  6 137575.0000000              0.0004796213     
  7  52366.8000000              0.001020521      
  8  21454.9000000              0.002175114      
  9   9316.0600000              0.004713698      
 10   4235.4000000              0.01036927       
 11   1997.4400000              0.02281143       
 12    970.4300000              0.04868009       
 13    483.2710000              0.09694442       
 14    245.8060000              0.1706005        
 15    127.3600000              0.2430080        
 16     67.0788000              0.2384914        
 17     35.8371000              0.1288846        
 18     19.3713000              0.05207441       
 19     10.5571000              0.08763543       
 20      5.7724900              0.1099903        
 21      3.1454000              0.05080978       
 22      1.6924900              0.006520852      
 23      0.8886490              0.0003956125     
 24      0.4710930             -6.181459E-05     
 25      0.2492860              1.254106E-05     
 26      0.0999880             -4.361028E-06     
 27      0.0463690              1.0567E-05       
S   27
  1      1.19495E+08           -3.393072E-06     
  2      2.14992E+07           -8.205121E-06     
  3      4.80703E+06           -2.353144E-05     
  4      1.28440E+06           -5.618118E-05     
  5 396595.0000000             -0.0001275595     
  6 137575.0000000             -0.0002752891     
  7  52366.8000000             -0.0005862466     
  8  21454.9000000             -0.001251553      
  9   9316.0600000             -0.002718589      
 10   4235.4000000             -0.006008769      
 11   1997.4400000             -0.01332407       
 12    970.4300000             -0.02890036       
 13    483.2710000             -0.05930942       
 14    245.8060000             -0.1107930        
 15    127.3600000             -0.1770984        
 16     67.0788000             -0.2162084        
 17     35.8371000             -0.1469435        
 18     19.3713000              0.0639645        
 19     10.5571000              0.3580420        
 20      5.7724900              0.4634064        
 21      3.1454000              0.2146780        
 22      1.6924900              0.02748374       
 23      0.8886490              0.0005229658     
 24      0.4710930             -0.0009373147     
 25      0.2492860             -0.0001398211     
 26      0.0999880             -1.123025E-05     
 27      0.0463690              3.671184E-05     
S   27
  1      1.19495E+08            6.682412E-07     
  2      2.14992E+07            1.616043E-06     
  3      4.80703E+06            4.635062E-06     
  4      1.28440E+06            1.106844E-05     
  5 396595.0000000              2.513795E-05     
  6 137575.0000000              5.42814E-05      
  7  52366.8000000              0.0001156787     
  8  21454.9000000              0.0002473236     
  9   9316.0600000              0.0005382997     
 10   4235.4000000              0.001194793      
 11   1997.4400000              0.002667407      
 12    970.4300000              0.005866852      
 13    483.2710000              0.01233989       
 14    245.8060000              0.02414443       
 15    127.3600000              0.04178974       
 16     67.0788000              0.05780505       
 17     35.8371000              0.04408753       
 18     19.3713000             -0.03163457       
 19     10.5571000             -0.1852648        
 20      5.7724900             -0.3507145        
 21      3.1454000             -0.2250703        
 22      1.6924900              0.2361473        
 23      0.8886490              0.5771120        
 24      0.4710930              0.3995942        
 25      0.2492860              0.08198503       
 26      0.0999880              0.003786216      
 27      0.0463690              0.00181512       
S   27
  1      1.19495E+08           -1.614274E-07     
  2      2.14992E+07           -3.903897E-07     
  3      4.80703E+06           -1.119695E-06     
  4      1.28440E+06           -2.673836E-06     
  5 396595.0000000             -6.072575E-06     
  6 137575.0000000             -1.311331E-05     
  7  52366.8000000             -2.794401E-05     
  8  21454.9000000             -5.975343E-05     
  9   9316.0600000             -0.0001300308     
 10   4235.4000000             -0.0002887116     
 11   1997.4400000             -0.0006443642     
 12    970.4300000             -0.001418217      
 13    483.2710000             -0.002982216      
 14    245.8060000             -0.005843726      
 15    127.3600000             -0.01011922       
 16     67.0788000             -0.01406049       
 17     35.8371000             -0.01073321       
 18     19.3713000              0.007697945      
 19     10.5571000              0.04671812       
 20      5.7724900              0.09236543       
 21      3.1454000              0.0606934        
 22      1.6924900             -0.07517223       
 23      0.8886490             -0.1934620        
 24      0.4710930             -0.2389696        
 25      0.2492860             -0.1062082        
 26      0.0999880              0.3515695        
 27      0.0463690              0.6241271        
S   27
  1      1.19495E+08            2.812987E-07     
  2      2.14992E+07            6.804514E-07     
  3      4.80703E+06            1.950692E-06     
  4      1.28440E+06            4.662709E-06     
  5 396595.0000000              1.056941E-05     
  6 137575.0000000              2.290727E-05     
  7  52366.8000000              4.849852E-05     
  8  21454.9000000              0.0001048147     
  9   9316.0600000              0.000224504      
 10   4235.4000000              0.0005093451     
 11   1997.4400000              0.001106294      
 12    970.4300000              0.002516249      
 13    483.2710000              0.005091015      
 14    245.8060000              0.01045914       
 15    127.3600000              0.0170637        
 16     67.0788000              0.02597877       
 17     35.8371000              0.01587703       
 18     19.3713000             -0.007290353      
 19     10.5571000             -0.09570927       
 20      5.7724900             -0.1484969        
 21      3.1454000             -0.1520052        
 22      1.6924900              0.2384846        
 23      0.8886490              0.3501435        
 24      0.4710930              0.7548168        
 25      0.2492860             -0.8094605        
 26      0.0999880             -1.4805040        
 27      0.0463690              0.7689142        
S   27
  1      1.19495E+08           -4.312322E-07     
  2      2.14992E+07           -1.043095E-06     
  3      4.80703E+06           -2.990538E-06     
  4      1.28440E+06           -7.147204E-06     
  5 396595.0000000             -1.620618E-05     
  6 137575.0000000             -3.510428E-05     
  7  52366.8000000             -7.439904E-05     
  8  21454.9000000             -0.0001605264     
  9   9316.0600000             -0.00034471       
 10   4235.4000000             -0.0007794742     
 11   1997.4400000             -0.001700679      
 12    970.4300000             -0.003848994      
 13    483.2710000             -0.007841304      
 14    245.8060000             -0.01600342       
 15    127.3600000             -0.02642693       
 16     67.0788000             -0.0397741        
 17     35.8371000             -0.02549301       
 18     19.3713000              0.0129649        
 19     10.5571000              0.1497257        
 20      5.7724900              0.2670537        
 21      3.1454000              0.2379641        
 22      1.6924900             -0.5490284        
 23      0.8886490             -1.0568440        
 24      0.4710930             -0.1164882        
 25      0.2492860              2.7444610        
 26      0.0999880             -1.4562880        
 27      0.0463690             -1.5228980        
S   27
  1      1.19495E+08           -4.876401E-07     
  2      2.14992E+07           -1.177921E-06     
  3      4.80703E+06           -3.38614E-06      
  4      1.28440E+06           -8.050139E-06     
  5 396595.0000000             -1.844652E-05     
  6 137575.0000000             -3.916005E-05     
  7  52366.8000000             -8.601642E-05     
  8  21454.9000000             -0.0001749806     
  9   9316.0600000             -0.0004098121     
 10   4235.4000000             -0.000822644      
 11   1997.4400000             -0.002082943      
 12    970.4300000             -0.003935527      
 13    483.2710000             -0.009907611      
 14    245.8060000             -0.01561908       
 15    127.3600000             -0.03578066       
 16     67.0788000             -0.0322496        
 17     35.8371000             -0.05745036       
 18     19.3713000              0.06918013       
 19     10.5571000              0.06434433       
 20      5.7724900              0.5933674        
 21      3.1454000             -0.1545044        
 22      1.6924900             -0.3050918        
 23      0.8886490             -2.9817180        
 24      0.4710930              4.9770390        
 25      0.2492860             -1.0825320        
 26      0.0999880             -4.2115770        
 27      0.0463690              5.6433950        
S   27
  1      1.19495E+08            7.519349E-07     
  2      2.14992E+07            1.820755E-06     
  3      4.80703E+06            5.209344E-06     
  4      1.28440E+06            1.250064E-05     
  5 396595.0000000              2.812046E-05     
  6 137575.0000000              6.183087E-05     
  7  52366.8000000              0.0001276431     
  8  21454.9000000              0.0002872        
  9   9316.0600000              0.0005798599     
 10   4235.4000000              0.001423352      
 11   1997.4400000              0.002800518      
 12    970.4300000              0.007178441      
 13    483.2710000              0.01264813       
 14    245.8060000              0.03086293       
 15    127.3600000              0.04074745       
 16     67.0788000              0.08547422       
 17     35.8371000              0.01756683       
 18     19.3713000              0.03153591       
 19     10.5571000             -0.4357717        
 20      5.7724900             -0.5492452        
 21      3.1454000             -0.4585412        
 22      1.6924900              4.1915080        
 23      0.8886490             -2.5292380        
 24      0.4710930             -5.4200720        
 25      0.2492860              9.3856740        
 26      0.0999880             -8.5529250        
 27      0.0463690              6.2316380        
S   1
  1      0.0216060              1.0000000        
S   1
  1      4.3955000              1.0000000        
S   1
  1      1.1564000              1.0000000        
S   1
  1      0.0100700              1.0000000        
P   19
  1  55070.5000000              0.0000140        
  2  13741.7000000              0.0000480        
  3   4365.4000000              0.0002020        
  4   1642.2600000              0.0007550        
  5    694.0660000              0.0026780        
  6    317.7420000              0.0085560        
  7    153.8990000              0.0245140        
  8     77.7665000              0.0617000        
  9     40.6736000              0.1309760        
 10     21.9061000              0.2216990        
 11     12.0795000              0.2929820        
 12      6.7534900              0.2755820        
 13      3.7632100              0.1467940        
 14      2.0497300              0.0316730        
 15      1.0864500              0.0001230        
 16      0.5640870             -0.0016080        
 17      0.2810200             -0.0008200        
 18      0.1214320             -0.0000640        
 19      0.0533450             -0.0000110        
P   19
  1  55070.5000000             -0.0000050        
  2  13741.7000000             -0.0000160        
  3   4365.4000000             -0.0000660        
  4   1642.2600000             -0.0002480        
  5    694.0660000             -0.0008820        
  6    317.7420000             -0.0028300        
  7    153.8990000             -0.0081890        
  8     77.7665000             -0.0209720        
  9     40.6736000             -0.0457600        
 10     21.9061000             -0.0797890        
 11     12.0795000             -0.1104030        
 12      6.7534900             -0.1073290        
 13      3.7632100              0.0005330        
 14      2.0497300              0.2185950        
 15      1.0864500              0.3923630        
 16      0.5640870              0.3629300        
 17      0.2810200              0.1490230        
 18      0.1214320              0.0150900        
 19      0.0533450              0.0005720        
P   19
  1  55070.5000000             -0.0000010        
  2  13741.7000000             -0.0000040        
  3   4365.4000000             -0.0000160        
  4   1642.2600000             -0.0000600        
  5    694.0660000             -0.0002160        
  6    317.7420000             -0.0006880        
  7    153.8990000             -0.0020050        
  8     77.7665000             -0.0051070        
  9     40.6736000             -0.0112560        
 10     21.9061000             -0.0194870        
 11     12.0795000             -0.0275520        
 12      6.7534900             -0.0261990        
 13      3.7632100              0.0018280        
 14      2.0497300              0.0650400        
 15      1.0864500              0.1153720        
 16      0.5640870              0.1375210        
 17      0.2810200             -0.0077520        
 18      0.1214320             -0.3617510        
 19      0.0533450             -0.5419820        
P   19
  1  55070.5000000              0.0000010        
  2  13741.7000000              0.0000050        
  3   4365.4000000              0.0000200        
  4   1642.2600000              0.0000740        
  5    694.0660000              0.0002620        
  6    317.7420000              0.0008430        
  7    153.8990000              0.0024310        
  8     77.7665000              0.0062550        
  9     40.6736000              0.0136160        
 10     21.9061000              0.0239330        
 11     12.0795000              0.0330500        
 12      6.7534900              0.0328270        
 13      3.7632100             -0.0025620        
 14      2.0497300             -0.0748050        
 15      1.0864500             -0.1376450        
 16      0.5640870             -0.1704280        
 17      0.2810200             -0.0478640        
 18      0.1214320              0.5835210        
 19      0.0533450              0.5151680        
P   19
  1  55070.5000000              0.0000030        
  2  13741.7000000              0.0000090        
  3   4365.4000000              0.0000410        
  4   1642.2600000              0.0001420        
  5    694.0660000              0.0005460        
  6    317.7420000              0.0016140        
  7    153.8990000              0.0050860        
  8     77.7665000              0.0118990        
  9     40.6736000              0.0287890        
 10     21.9061000              0.0441380        
 11     12.0795000              0.0761020        
 12      6.7534900              0.0560570        
 13      3.7632100              0.0243250        
 14      2.0497300             -0.2171150        
 15      1.0864500             -0.3703350        
 16      0.5640870             -0.4435200        
 17      0.2810200              1.2379380        
 18      0.1214320              0.4129960        
 19      0.0533450             -0.9400080        
P   19
  1  55070.5000000             -0.0000030        
  2  13741.7000000             -0.0000120        
  3   4365.4000000             -0.0000410        
  4   1642.2600000             -0.0002080        
  5    694.0660000             -0.0005200        
  6    317.7420000             -0.0024110        
  7    153.8990000             -0.0047120        
  8     77.7665000             -0.0181750        
  9     40.6736000             -0.0243790        
 10     21.9061000             -0.0766640        
 11     12.0795000             -0.0436370        
 12      6.7534900             -0.1925250        
 13      3.7632100              0.1326390        
 14      2.0497300              0.1135500        
 15      1.0864500              1.3669040        
 16      0.5640870             -1.5617250        
 17      0.2810200             -0.8936100        
 18      0.1214320              2.2910790        
 19      0.0533450             -1.2338460        
P   19
  1  55070.5000000             -0.0000050        
  2  13741.7000000             -0.0000160        
  3   4365.4000000             -0.0000700        
  4   1642.2600000             -0.0002610        
  5    694.0660000             -0.0009290        
  6    317.7420000             -0.0029870        
  7    153.8990000             -0.0086890        
  8     77.7665000             -0.0225240        
  9     40.6736000             -0.0494670        
 10     21.9061000             -0.0860160        
 11     12.0795000             -0.1162080        
 12      6.7534900             -0.1761440        
 13      3.7632100              0.0102780        
 14      2.0497300              1.2619260        
 15      1.0864500              0.2599850        
 16      0.5640870             -3.7739520        
 17      0.2810200              4.5043640        
 18      0.1214320             -2.6297080        
 19      0.0533450              0.5247230        
P   1
  1      0.0231430              1.0000000        
P   1
  1      5.1300000              1.0000000        
P   1
  1      1.2315000              1.0000000        
P   1
  1      0.0100400              1.0000000        
D   11
  1    206.8490000              0.0002450        
  2     60.9977000              0.0021780        
  3     23.3085000              0.0108150        
  4      9.9288100              0.0355520        
  5      4.4867000              0.0918530        
  6      2.1263200              0.1773870        
  7      1.0200800              0.2535140        
  8      0.4853730              0.2911880        
  9      0.2271980              0.2739590        
 10      0.1042040              0.1939380        
 11      0.0468350              0.0750160        
D   11
  1    206.8490000             -0.0002520        
  2     60.9977000             -0.0022360        
  3     23.3085000             -0.0111280        
  4      9.9288100             -0.0368300        
  5      4.4867000             -0.0965200        
  6      2.1263200             -0.1818110        
  7      1.0200800             -0.2453530        
  8      0.4853730             -0.2113190        
  9      0.2271980              0.0933260        
 10      0.1042040              0.4634600        
 11      0.0468350              0.3871780        
D   11
  1    206.8490000             -0.0003270        
  2     60.9977000             -0.0028490        
  3     23.3085000             -0.0145650        
  4      9.9288100             -0.0472320        
  5      4.4867000             -0.1264930        
  6      2.1263200             -0.2349220        
  7      1.0200800             -0.2844630        
  8      0.4853730              0.0738220        
  9      0.2271980              0.7433150        
 10      0.1042040              0.1237380        
 11      0.0468350             -0.6748410        
D   11
  1    206.8490000             -0.0004720        
  2     60.9977000             -0.0038040        
  3     23.3085000             -0.0209510        
  4      9.9288100             -0.0644210        
  5      4.4867000             -0.1927550        
  6      2.1263200             -0.3074170        
  7      1.0200800             -0.2835280        
  8      0.4853730              1.0750720        
  9      0.2271980              0.0383790        
 10      0.1042040             -1.2564750        
 11      0.0468350              0.7662620        
D   11
  1    206.8490000             -0.0005390        
  2     60.9977000             -0.0068390        
  3     23.3085000             -0.0259800        
  4      9.9288100             -0.1209740        
  5      4.4867000             -0.2394840        
  6      2.1263200             -0.6282700        
  7      1.0200800              0.9521130        
  8      0.4853730              0.6713530        
  9      0.2271980             -2.1441440        
 10      0.1042040              1.9275440        
 11      0.0468350             -0.6275630        
D   1
  1      0.0202590              1.0000000        
D   1
  1      2.6491000              1.0000000        
D   1
  1      1.4102000              1.0000000        
D   1
  1      0.0087600              1.0000000        
F   1
  1      3.5989000              1.0000000        
F   1
  1      1.5145000              1.0000000        
F   1
  1      0.6373000              1.0000000        
F   1
  1      0.2682000              1.0000000        
F   1
  1      0.0809000              1.0000000        
F   1
  1      0.0244000              1.0000000        
G   1
  1      3.1618000              1.0000000        
G   1
  1      1.3736000              1.0000000        
G   1
  1      0.5968000              1.0000000        
G   1
  1      0.1711000              1.0000000        
G   1
  1      0.0490500              1.0000000        
H   1
  1      2.9441000              1.0000000        
H   1
  1      1.1635000              1.0000000        
H   1
  1      0.3290000              1.0000000        
H   1
  1      0.0930300              1.0000000        
I   1
  1      3.1150000              1.0000000        
I   1
  1      1.1682000              1.0000000        
I   1
  1      0.4381000              1.0000000        


name: aug-cc-pwCV5Z-DK
description: V5ZPD All-electron Douglas-Kroll Core-Valence Quintuple Zeta + Polarization
elt: Ti
data:
TITANIUM
S   27
  1      1.22647E+08            6.653555E-06     
  2      2.19562E+07            1.613946E-05     
  3      4.90233E+06            4.614898E-05     
  4      1.31060E+06            0.0001098321     
  5 405228.0000000              0.0002484956     
  6 140757.0000000              0.0005342847     
  7  53625.1000000              0.001133562      
  8  21976.2000000              0.0024093        
  9   9539.6000000              0.005206248      
 10   4334.3700000              0.01141582       
 11   2042.8900000              0.02500563       
 12    992.3080000              0.05299834       
 13    494.4460000              0.1043003        
 14    251.9070000              0.1799215        
 15    130.9050000              0.2478886        
 16     69.2368000              0.2308955        
 17     37.1847000              0.1171295        
 18     20.2157000              0.05130277       
 19     11.0765000              0.09090767       
 20      6.0786700              0.1038986        
 21      3.3127700              0.04277212       
 22      1.7725000              0.004698514      
 23      0.9173780              0.0002635682     
 24      0.4692830             -6.454181E-05     
 25      0.2192670              1.082874E-05     
 26      0.1058110              8.421612E-08     
 27      0.0484430              1.563308E-05     
S   27
  1      1.22647E+08           -3.777645E-06     
  2      2.19562E+07           -9.164102E-06     
  3      4.90233E+06           -2.620684E-05     
  4      1.31060E+06           -6.238605E-05     
  5 405228.0000000             -0.0001412011     
  6 140757.0000000             -0.0003037954     
  7  53625.1000000             -0.0006451652     
  8  21976.2000000             -0.001373651      
  9   9539.6000000             -0.002976146      
 10   4334.3700000             -0.006559216      
 11   2042.8900000             -0.01449461       
 12    992.3080000             -0.03126791       
 13    494.4460000             -0.06359677       
 14    251.9070000             -0.1170675        
 15    130.9050000             -0.1828196        
 16     69.2368000             -0.2142700        
 17     37.1847000             -0.1312221        
 18     20.2157000              0.09218944       
 19     11.0765000              0.3859538        
 20      6.0786700              0.4515632        
 21      3.3127700              0.1862977        
 22      1.7725000              0.02023129       
 23      0.9173780             -6.633534E-05     
 24      0.4692830             -0.0008927498     
 25      0.2192670             -6.197787E-05     
 26      0.1058110              1.790704E-05     
 27      0.0484430              5.846808E-05     
S   27
  1      1.22647E+08            7.674459E-07     
  2      2.19562E+07            1.861863E-06     
  3      4.90233E+06            5.324913E-06     
  4      1.31060E+06            1.2679E-05       
  5 405228.0000000              2.870495E-05     
  6 140757.0000000              6.179898E-05     
  7  53625.1000000              0.0001313324     
  8  21976.2000000              0.000280105      
  9   9539.6000000              0.0006080523     
 10   4334.3700000              0.001346488      
 11   2042.8900000              0.002996038      
 12    992.3080000              0.006562148      
 13    494.4460000              0.01369205       
 14    251.9070000              0.02648196       
 15    130.9050000              0.0448890        
 16     69.2368000              0.05976643       
 17     37.1847000              0.04031555       
 18     20.2157000             -0.0441235        
 19     11.0765000             -0.2114728        
 20      6.0786700             -0.3640708        
 21      3.3127700             -0.1847230        
 22      1.7725000              0.3081164        
 23      0.9173780              0.6066013        
 24      0.4692830              0.3468082        
 25      0.2192670              0.04058903       
 26      0.1058110             -0.000391043      
 27      0.0484430              0.002501968      
S   27
  1      1.22647E+08           -1.819398E-07     
  2      2.19562E+07           -4.41398E-07      
  3      4.90233E+06           -1.262383E-06     
  4      1.31060E+06           -3.005895E-06     
  5 405228.0000000             -6.805029E-06     
  6 140757.0000000             -1.465182E-05     
  7  53625.1000000             -3.113348E-05     
  8  21976.2000000             -6.641746E-05     
  9   9539.6000000             -0.0001441365     
 10   4334.3700000             -0.000319341      
 11   2042.8900000             -0.0007102401     
 12    992.3080000             -0.001557001      
 13    494.4460000             -0.003247483      
 14    251.9070000             -0.006292418      
 15    130.9050000             -0.01067067       
 16     69.2368000             -0.01428281       
 17     37.1847000             -0.009632094      
 18     20.2157000              0.0105720        
 19     11.0765000              0.05267722       
 20      6.0786700              0.09469896       
 21      3.3127700              0.04838713       
 22      1.7725000             -0.09536682       
 23      0.9173780             -0.2116255        
 24      0.4692830             -0.2381936        
 25      0.2192670             -0.05246589       
 26      0.1058110              0.3869866        
 27      0.0484430              0.6037621        
S   27
  1      1.22647E+08            3.399465E-07     
  2      2.19562E+07            8.247278E-07     
  3      4.90233E+06            2.358728E-06     
  4      1.31060E+06            5.616301E-06     
  5 405228.0000000              1.271542E-05     
  6 140757.0000000              2.737492E-05     
  7  53625.1000000              5.817942E-05     
  8  21976.2000000              0.0001240819     
  9   9539.6000000              0.0002693998     
 10   4334.3700000              0.000596555      
 11   2042.8900000              0.001327899      
 12    992.3080000              0.00290901       
 13    494.4460000              0.006076074      
 14    251.9070000              0.01176603       
 15    130.9050000              0.02001317       
 16     69.2368000              0.02677974       
 17     37.1847000              0.01826065       
 18     20.2157000             -0.02007811       
 19     11.0765000             -0.1014260        
 20      6.0786700             -0.1911626        
 21      3.3127700             -0.09195848       
 22      1.7725000              0.2382647        
 23      0.9173780              0.5877260        
 24      0.4692830              0.3656232        
 25      0.2192670             -0.9952926        
 26      0.1058110             -1.0629930        
 27      0.0484430              0.7767954        
S   27
  1      1.22647E+08           -5.165097E-07     
  2      2.19562E+07           -1.252882E-06     
  3      4.90233E+06           -3.58436E-06      
  4      1.31060E+06           -8.529531E-06     
  5 405228.0000000             -1.933437E-05     
  6 140757.0000000             -4.152977E-05     
  7  53625.1000000             -8.86271E-05      
  8  21976.2000000             -0.0001877584     
  9   9539.6000000             -0.0004117762     
 10   4334.3700000             -0.0008995392     
 11   2042.8900000             -0.00203764       
 12    992.3080000             -0.004372593      
 13    494.4460000             -0.009371418      
 14    251.9070000             -0.01761793       
 15    130.9050000             -0.03127669       
 16     69.2368000             -0.0394600        
 17     37.1847000             -0.03164837       
 18     20.2157000              0.03808886       
 19     11.0765000              0.1502097        
 20      6.0786700              0.3568484        
 21      3.3127700              0.09579577       
 22      1.7725000             -0.5931501        
 23      0.9173780             -1.4029870        
 24      0.4692830              1.2948550        
 25      0.2192670              2.1050350        
 26      0.1058110             -2.3454890        
 27      0.0484430             -0.6659030        
S   27
  1      1.22647E+08           -6.130654E-07     
  2      2.19562E+07           -1.486934E-06     
  3      4.90233E+06           -4.254847E-06     
  4      1.31060E+06           -1.0121E-05       
  5 405228.0000000             -2.296105E-05     
  6 140757.0000000             -4.924078E-05     
  7  53625.1000000             -0.0001053951     
  8  21976.2000000             -0.0002221924     
  9   9539.6000000             -0.0004909744     
 10   4334.3700000             -0.001061652      
 11   2042.8900000             -0.002437073      
 12    992.3080000             -0.005148493      
 13    494.4460000             -0.01125485       
 14    251.9070000             -0.02070111       
 15    130.9050000             -0.03801176       
 16     69.2368000             -0.0460026        
 17     37.1847000             -0.04154012       
 18     20.2157000              0.0487637        
 19     11.0765000              0.1925955        
 20      6.0786700              0.5435896        
 21      3.3127700             -0.05407633       
 22      1.7725000             -1.3033880        
 23      0.9173780             -1.3684980        
 24      0.4692830              4.8530280        
 25      0.2192670             -3.2762980        
 26      0.1058110             -1.5668410        
 27      0.0484430              4.2040350        
S   27
  1      1.22647E+08           -8.549962E-07     
  2      2.19562E+07           -2.079199E-06     
  3      4.90233E+06           -5.919144E-06     
  4      1.31060E+06           -1.422274E-05     
  5 405228.0000000             -3.162293E-05     
  6 140757.0000000             -7.045952E-05     
  7  53625.1000000             -0.0001407958     
  8  21976.2000000             -0.0003314919     
  9   9539.6000000             -0.0006194799     
 10   4334.3700000             -0.001674815      
 11   2042.8900000             -0.002880831      
 12    992.3080000             -0.008576546      
 13    494.4460000             -0.01234665       
 14    251.9070000             -0.03746245       
 15    130.9050000             -0.03433454       
 16     69.2368000             -0.1097497        
 17     37.1847000              0.03447519       
 18     20.2157000             -0.1133770        
 19     11.0765000              0.6927722        
 20      6.0786700              0.3005719        
 21      3.3127700              0.4990677        
 22      1.7725000             -5.4080910        
 23      0.9173780              7.0117810        
 24      0.4692830             -1.6041680        
 25      0.2192670             -5.4763320        
 26      0.1058110              8.3958070        
 27      0.0484430             -6.4227320        
S   1
  1      0.0225350              1.0000000        
S   1
  1      4.2553000              1.0000000        
S   1
  1      1.2538000              1.0000000        
S   1
  1      0.0104800              1.0000000        
P   19
  1  59284.9000000              0.0000160        
  2  14323.6000000              0.0000550        
  3   4537.2200000              0.0002280        
  4   1726.5400000              0.0008230        
  5    741.0750000              0.0028250        
  6    343.8070000              0.0088340        
  7    167.8840000              0.0251330        
  8     85.0394000              0.0634540        
  9     44.3829000              0.1354900        
 10     23.7928000              0.2297170        
 11     13.0536000              0.3000430        
 12      7.2687200              0.2708810        
 13      4.0380500              0.1339910        
 14      2.1929400              0.0256630        
 15      1.1616200             -0.0004750        
 16      0.6032500             -0.0015650        
 17      0.3001740             -0.0006970        
 18      0.1301310             -0.0000450        
 19      0.0572230             -0.0000100        
P   19
  1  59284.9000000             -0.0000050        
  2  14323.6000000             -0.0000180        
  3   4537.2200000             -0.0000760        
  4   1726.5400000             -0.0002760        
  5    741.0750000             -0.0009510        
  6    343.8070000             -0.0029880        
  7    167.8840000             -0.0085890        
  8     85.0394000             -0.0220780        
  9     44.3829000             -0.0485130        
 10     23.7928000             -0.0848740        
 11     13.0536000             -0.1165050        
 12      7.2687200             -0.1060460        
 13      4.0380500              0.0208230        
 14      2.1929400              0.2474250        
 15      1.1616200              0.4015100        
 16      0.6032500              0.3401570        
 17      0.3001740              0.1258060        
 18      0.1301310              0.0112720        
 19      0.0572230              0.0006720        
P   19
  1  59284.9000000              0.0000010        
  2  14323.6000000              0.0000040        
  3   4537.2200000              0.0000180        
  4   1726.5400000              0.0000660        
  5    741.0750000              0.0002290        
  6    343.8070000              0.0007140        
  7    167.8840000              0.0020690        
  8     85.0394000              0.0052890        
  9     44.3829000              0.0117380        
 10     23.7928000              0.0203950        
 11     13.0536000              0.0286140        
 12      7.2687200              0.0253940        
 13      4.0380500             -0.0070940        
 14      2.1929400             -0.0720970        
 15      1.1616200             -0.1181340        
 16      0.6032500             -0.1292760        
 17      0.3001740              0.0315740        
 18      0.1301310              0.3785710        
 19      0.0572230              0.5269710        
P   19
  1  59284.9000000              0.0000020        
  2  14323.6000000              0.0000060        
  3   4537.2200000              0.0000230        
  4   1726.5400000              0.0000830        
  5    741.0750000              0.0002880        
  6    343.8070000              0.0008990        
  7    167.8840000              0.0026000        
  8     85.0394000              0.0066510        
  9     44.3829000              0.0147430        
 10     23.7928000              0.0256560        
 11     13.0536000              0.0359060        
 12      7.2687200              0.0320880        
 13      4.0380500             -0.0081700        
 14      2.1929400             -0.0887810        
 15      1.1616200             -0.1438960        
 16      0.6032500             -0.1737260        
 17      0.3001740              0.0151180        
 18      0.1301310              0.6060130        
 19      0.0572230              0.4639250        
P   19
  1  59284.9000000              0.0000030        
  2  14323.6000000              0.0000110        
  3   4537.2200000              0.0000460        
  4   1726.5400000              0.0001590        
  5    741.0750000              0.0005830        
  6    343.8070000              0.0017100        
  7    167.8840000              0.0052750        
  8     85.0394000              0.0126190        
  9     44.3829000              0.0300870        
 10     23.7928000              0.0478170        
 11     13.0536000              0.0780840        
 12      7.2687200              0.0572690        
 13      4.0380500              0.0042350        
 14      2.1929400             -0.2405920        
 15      1.1616200             -0.3988240        
 16      0.6032500             -0.3071790        
 17      0.3001740              1.2623310        
 18      0.1301310              0.2556860        
 19      0.0572230             -0.8992420        
P   19
  1  59284.9000000              0.0000040        
  2  14323.6000000              0.0000150        
  3   4537.2200000              0.0000510        
  4   1726.5400000              0.0002320        
  5    741.0750000              0.0006090        
  6    343.8070000              0.0025490        
  7    167.8840000              0.0054260        
  8     85.0394000              0.0189510        
  9     44.3829000              0.0294070        
 10     23.7928000              0.0786330        
 11     13.0536000              0.0601470        
 12      7.2687200              0.1842020        
 13      4.0380500             -0.1207450        
 14      2.1929400             -0.3032660        
 15      1.1616200             -1.2402470        
 16      0.6032500              1.9464230        
 17      0.3001740              0.3010090        
 18      0.1301310             -1.9812890        
 19      0.0572230              1.1972360        
P   19
  1  59284.9000000             -0.0000060        
  2  14323.6000000             -0.0000180        
  3   4537.2200000             -0.0000810        
  4   1726.5400000             -0.0002690        
  5    741.0750000             -0.0010210        
  6    343.8070000             -0.0028930        
  7    167.8840000             -0.0093000        
  8     85.0394000             -0.0215640        
  9     44.3829000             -0.0538970        
 10     23.7928000             -0.0809110        
 11     13.0536000             -0.1385590        
 12      7.2687200             -0.1746190        
 13      4.0380500              0.0897820        
 14      2.1929400              1.4800170        
 15      1.1616200             -0.5900780        
 16      0.6032500             -2.8885950        
 17      0.3001740              4.2554030        
 18      0.1301310             -2.8758510        
 19      0.0572230              0.8101380        
P   1
  1      0.0249100              1.0000000        
P   1
  1      5.7813000              1.0000000        
P   1
  1      1.6500000              1.0000000        
P   1
  1      0.0108400              1.0000000        
D   11
  1    261.2460000              0.0002210        
  2     77.4454000              0.0019730        
  3     29.6879000              0.0101400        
  4     12.7642000              0.0343140        
  5      5.8299200              0.0898200        
  6      2.7978300              0.1779610        
  7      1.3638300              0.2593050        
  8      0.6600370              0.2967420        
  9      0.3136990              0.2697420        
 10      0.1449780              0.1799180        
 11      0.0647720              0.0669950        
D   11
  1    261.2460000             -0.0002250        
  2     77.4454000             -0.0020120        
  3     29.6879000             -0.0103650        
  4     12.7642000             -0.0353510        
  5      5.8299200             -0.0943990        
  6      2.7978300             -0.1831950        
  7      1.3638300             -0.2438690        
  8      0.6600370             -0.1915460        
  9      0.3136990              0.1086070        
 10      0.1449780              0.4574300        
 11      0.0647720              0.3913590        
D   11
  1    261.2460000             -0.0003590        
  2     77.4454000             -0.0031940        
  3     29.6879000             -0.0167290        
  4     12.7642000             -0.0574460        
  5      5.8299200             -0.1579450        
  6      2.7978300             -0.2878870        
  7      1.3638300             -0.2743220        
  8      0.6600370              0.1968330        
  9      0.3136990              0.6962870        
 10      0.1449780              0.0262030        
 11      0.0647720             -0.6014690        
D   11
  1    261.2460000              0.0004330        
  2     77.4454000              0.0036220        
  3     29.6879000              0.0201220        
  4     12.7642000              0.0664280        
  5      5.8299200              0.2041410        
  6      2.7978300              0.3220550        
  7      1.3638300              0.1271500        
  8      0.6600370             -0.9939100        
  9      0.3136990              0.0726930        
 10      0.1449780              1.1603820        
 11      0.0647720             -0.6995170        
D   11
  1    261.2460000              0.0005540        
  2     77.4454000              0.0061940        
  3     29.6879000              0.0274000        
  4     12.7642000              0.1196640        
  5      5.8299200              0.2918240        
  6      2.7978300              0.5157480        
  7      1.3638300             -0.9398630        
  8      0.6600370             -0.5732200        
  9      0.3136990              1.9949630        
 10      0.1449780             -1.6489450        
 11      0.0647720              0.2848740        
D   1
  1      0.0273760              1.0000000        
D   1
  1      3.4534000              1.0000000        
D   1
  1      1.9445000              1.0000000        
D   1
  1      0.0115700              1.0000000        
F   1
  1      5.0709000              1.0000000        
F   1
  1      2.1837000              1.0000000        
F   1
  1      0.9404000              1.0000000        
F   1
  1      0.4049000              1.0000000        
F   1
  1      0.1277000              1.0000000        
F   1
  1      0.0402700              1.0000000        
G   1
  1      4.0100000              1.0000000        
G   1
  1      1.8192000              1.0000000        
G   1
  1      0.8254000              1.0000000        
G   1
  1      0.2544000              1.0000000        
G   1
  1      0.0784100              1.0000000        
H   1
  1      3.6168000              1.0000000        
H   1
  1      1.5432000              1.0000000        
H   1
  1      0.5044000              1.0000000        
H   1
  1      0.1648600              1.0000000        
I   1
  1      3.1547000              1.0000000        
I   1
  1      0.9864000              1.0000000        
I   1
  1      0.3084200              1.0000000        


name: aug-cc-pwCV5Z-DK
description: V5ZPD All-electron Douglas-Kroll Core-Valence Quintuple Zeta + Polarization
elt: V
data:
VANADIUM
S   27
  1      1.28349E+08            7.356705E-06     
  2      2.29044E+07            1.786824E-05     
  3      5.10777E+06            5.098889E-05     
  4      1.36528E+06            0.000121072      
  5 422228.0000000              0.0002732114     
  6 146685.0000000              0.0005857547     
  7  55872.3000000              0.001239105      
  8  22881.3000000              0.002625599      
  9   9920.4500000              0.00565687       
 10   4499.9200000              0.01237143       
 11   2116.7500000              0.02703115       
 12   1026.0600000              0.05709522       
 13    510.2570000              0.1115932        
 14    259.5320000              0.1898393        
 15    134.7090000              0.2543687        
 16     71.2104000              0.2252741        
 17     38.2496000              0.1067044        
 18     20.8102000              0.0511901        
 19     11.4158000              0.09230865       
 20      6.2730200              0.09330965       
 21      3.4217700              0.03315559       
 22      1.8304400              0.003087216      
 23      0.9452350              0.0001488484     
 24      0.4759280             -5.731104E-05     
 25      0.1863810              5.722118E-06     
 26      0.1067680              7.095741E-06     
 27      0.0499790              1.841164E-05     
S   27
  1      1.28349E+08           -4.077497E-06     
  2      2.29044E+07           -9.904408E-06     
  3      5.10777E+06           -2.826701E-05     
  4      1.36528E+06           -6.713697E-05     
  5 422228.0000000             -0.0001515645     
  6 146685.0000000             -0.00032518       
  7  55872.3000000             -0.0006886285     
  8  22881.3000000             -0.00146189       
  9   9920.4500000             -0.00315893       
 10   4499.9200000             -0.006946262      
 11   2116.7500000             -0.01532505       
 12   1026.0600000             -0.03299103       
 13    510.2570000             -0.06684496       
 14    259.5320000             -0.1220202        
 15    134.7090000             -0.1873822        
 16     71.2104000             -0.2113255        
 17     38.2496000             -0.1130379        
 18     20.8102000              0.1277586        
 19     11.4158000              0.4186041        
 20      6.2730200              0.4309142        
 21      3.4217700              0.1532117        
 22      1.8304400              0.0139112        
 23      0.9452350             -0.0005845882     
 24      0.4759280             -0.0007972901     
 25      0.1863810             -5.538211E-05     
 26      0.1067680              6.572664E-05     
 27      0.0499790              7.19369E-05      
S   27
  1      1.28349E+08            8.603915E-07     
  2      2.29044E+07            2.090087E-06     
  3      5.10777E+06            5.965628E-06     
  4      1.36528E+06            1.417245E-05     
  5 422228.0000000              3.200385E-05     
  6 146685.0000000              6.871208E-05     
  7  55872.3000000              0.0001456091     
  8  22881.3000000              0.0003096893     
  9   9920.4500000              0.0006704643     
 10   4499.9200000              0.001481838      
 11   2116.7500000              0.003291939      
 12   1026.0600000              0.007201054      
 13    510.2570000              0.01497543       
 14    259.5320000              0.0287821        
 15    134.7090000              0.04804314       
 16     71.2104000              0.06159329       
 17     38.2496000              0.03536191       
 18     20.8102000             -0.06073828       
 19     11.4158000             -0.2436103        
 20      6.2730200             -0.3702706        
 21      3.4217700             -0.1271151        
 22      1.8304400              0.3751019        
 23      0.9452350              0.6053597        
 24      0.4759280              0.2921984        
 25      0.1863810              0.02433509       
 26      0.1067680             -0.004127538      
 27      0.0499790              0.003018388      
S   27
  1      1.28349E+08           -2.00208E-07      
  2      2.29044E+07           -4.863529E-07     
  3      5.10777E+06           -1.388165E-06     
  4      1.36528E+06           -3.297899E-06     
  5 422228.0000000             -7.447067E-06     
  6 146685.0000000             -1.59897E-05      
  7  55872.3000000             -3.388204E-05     
  8  22881.3000000             -7.20715E-05      
  9   9920.4500000             -0.0001560162     
 10   4499.9200000             -0.0003449014     
 11   2116.7500000             -0.0007661694     
 12   1026.0600000             -0.00167669       
 13    510.2570000             -0.003487904      
 14    259.5320000             -0.006711267      
 15    134.7090000             -0.0112217        
 16     71.2104000             -0.01444379       
 17     38.2496000             -0.00833094       
 18     20.8102000              0.0144271        
 19     11.4158000              0.05982672       
 20      6.2730200              0.09540397       
 21      3.4217700              0.03117879       
 22      1.8304400             -0.1132242        
 23      0.9452350             -0.2210081        
 24      0.4759280             -0.2196576        
 25      0.1863810              0.0003626926     
 26      0.1067680              0.4068028        
 27      0.0499790              0.5697882        
S   27
  1      1.28349E+08           -3.901614E-07     
  2      2.29044E+07           -9.475826E-07     
  3      5.10777E+06           -2.70579E-06      
  4      1.36528E+06           -6.422846E-06     
  5 422228.0000000             -1.452788E-05     
  6 146685.0000000             -3.109393E-05     
  7  55872.3000000             -6.626421E-05     
  8  22881.3000000             -0.0001396479     
  9   9920.4500000             -0.0003065372     
 10   4499.9200000             -0.000664949      
 11   2116.7500000             -0.00151327       
 12   1026.0600000             -0.003216756      
 13    510.2570000             -0.006933933      
 14    259.5320000             -0.01278132       
 15    134.7090000             -0.02268481       
 16     71.2104000             -0.02661842       
 17     38.2496000             -0.02007282       
 18     20.8102000              0.03592281       
 19     11.4158000              0.1069343        
 20      6.2730200              0.2278498        
 21      3.4217700              0.01379761       
 22      1.8304400             -0.2372538        
 23      0.9452350             -0.7484825        
 24      0.4759280              0.02202189       
 25      0.1863810              1.2833500        
 26      0.1067680              0.4625684        
 27      0.0499790             -0.7206233        
S   27
  1      1.28349E+08           -5.943749E-07     
  2      2.29044E+07           -1.443354E-06     
  3      5.10777E+06           -4.122573E-06     
  4      1.36528E+06           -9.780822E-06     
  5 422228.0000000             -2.214671E-05     
  6 146685.0000000             -4.730618E-05     
  7  55872.3000000             -0.0001011766     
  8  22881.3000000             -0.000211986      
  9   9920.4500000             -0.0004694133     
 10   4499.9200000             -0.001006324      
 11   2116.7500000             -0.00232522       
 12   1026.0600000             -0.004855172      
 13    510.2570000             -0.01070394       
 14    259.5320000             -0.01923086       
 15    134.7090000             -0.03545813       
 16     71.2104000             -0.03942564       
 17     38.2496000             -0.03445506       
 18     20.8102000              0.06260601       
 19     11.4158000              0.1646280        
 20      6.2730200              0.4190186        
 21      3.4217700             -0.05135443       
 22      1.8304400             -0.6890882        
 23      0.9452350             -1.4265880        
 24      0.4759280              2.1578180        
 25      0.1863810              1.5272650        
 26      0.1067680             -2.8478340        
 27      0.0499790             -0.04977937       
S   27
  1      1.28349E+08           -7.289808E-07     
  2      2.29044E+07           -1.771972E-06     
  3      5.10777E+06           -5.05166E-06      
  4      1.36528E+06           -1.202932E-05     
  5 422228.0000000             -2.704018E-05     
  6 146685.0000000             -5.856786E-05     
  7  55872.3000000             -0.0001222068     
  8  22881.3000000             -0.0002665839     
  9   9920.4500000             -0.0005559679     
 10   4499.9200000             -0.001293282      
 11   2116.7500000             -0.002695009      
 12   1026.0600000             -0.006381528      
 13    510.2570000             -0.01210982       
 14    259.5320000             -0.02625689       
 15    134.7090000             -0.03787767       
 16     71.2104000             -0.06283789       
 17     38.2496000             -0.01409767       
 18     20.8102000              0.01527717       
 19     11.4158000              0.3657945        
 20      6.2730200              0.4139635        
 21      3.4217700              0.003465761      
 22      1.8304400             -2.1710400        
 23      0.9452350              0.5191237        
 24      0.4759280              3.3917220        
 25      0.1863810             -4.9828040        
 26      0.1067680              1.6527780        
 27      0.0499790              2.6936830        
S   27
  1      1.28349E+08           -9.534105E-07     
  2      2.29044E+07           -2.320734E-06     
  3      5.10777E+06           -6.598483E-06     
  4      1.36528E+06           -1.579531E-05     
  5 422228.0000000             -3.513656E-05     
  6 146685.0000000             -7.763263E-05     
  7  55872.3000000             -0.0001562748     
  8  22881.3000000             -0.0003611841     
  9   9920.4500000             -0.0006895381     
 10   4499.9200000             -0.001804534      
 11   2116.7500000             -0.003226883      
 12   1026.0600000             -0.009168809      
 13    510.2570000             -0.01391968       
 14    259.5320000             -0.03951576       
 15    134.7090000             -0.03886446       
 16     71.2104000             -0.1101614        
 17     38.2496000              0.03633212       
 18     20.8102000             -0.08353228       
 19     11.4158000              0.7752076        
 20      6.2730200              0.3636147        
 21      3.4217700             -0.2488450        
 22      1.8304400             -4.9880880        
 23      0.9452350              8.8278190        
 24      0.4759280             -5.6118930        
 25      0.1863810             -1.7489600        
 26      0.1067680              6.6204950        
 27      0.0499790             -6.0660540        
S   1
  1      0.0235010              1.0000000        
S   1
  1      4.6742000              1.0000000        
S   1
  1      1.4892000              1.0000000        
S   1
  1      0.0110500              1.0000000        
P   19
  1  67602.1000000              0.0000170        
  2  16330.1000000              0.0000560        
  3   5149.5900000              0.0002280        
  4   1950.0300000              0.0008130        
  5    834.4630000              0.0027730        
  6    386.9900000              0.0086180        
  7    189.3720000              0.0243890        
  8     96.2845000              0.0613800        
  9     50.4640000              0.1315120        
 10     27.1483000              0.2254540        
 11     14.9256000              0.2991520        
 12      8.3161700              0.2750970        
 13      4.6208600              0.1389430        
 14      2.5113800              0.0274120        
 15      1.3309100             -0.0003570        
 16      0.6904150             -0.0016060        
 17      0.3432070             -0.0007230        
 18      0.1459030             -0.0000470        
 19      0.0629230             -0.0000080        
P   19
  1  67602.1000000             -0.0000060        
  2  16330.1000000             -0.0000190        
  3   5149.5900000             -0.0000780        
  4   1950.0300000             -0.0002780        
  5    834.4630000             -0.0009500        
  6    386.9900000             -0.0029650        
  7    189.3720000             -0.0084780        
  8     96.2845000             -0.0217270        
  9     50.4640000             -0.0479100        
 10     27.1483000             -0.0848350        
 11     14.9256000             -0.1182250        
 12      8.3161700             -0.1095570        
 13      4.6208600              0.0179470        
 14      2.5113800              0.2471120        
 15      1.3309100              0.4021140        
 16      0.6904150              0.3402800        
 17      0.3432070              0.1277560        
 18      0.1459030              0.0116850        
 19      0.0629230              0.0003950        
P   19
  1  67602.1000000              0.0000010        
  2  16330.1000000              0.0000050        
  3   5149.5900000              0.0000190        
  4   1950.0300000              0.0000670        
  5    834.4630000              0.0002300        
  6    386.9900000              0.0007130        
  7    189.3720000              0.0020570        
  8     96.2845000              0.0052380        
  9     50.4640000              0.0116840        
 10     27.1483000              0.0205230        
 11     14.9256000              0.0292840        
 12      8.3161700              0.0263730        
 13      4.6208600             -0.0065840        
 14      2.5113800             -0.0738030        
 15      1.3309100             -0.1194390        
 16      0.6904150             -0.1240420        
 17      0.3432070              0.0379050        
 18      0.1459030              0.3730470        
 19      0.0629230              0.5239770        
P   19
  1  67602.1000000              0.0000020        
  2  16330.1000000              0.0000060        
  3   5149.5900000              0.0000240        
  4   1950.0300000              0.0000840        
  5    834.4630000              0.0002890        
  6    386.9900000              0.0008970        
  7    189.3720000              0.0025820        
  8     96.2845000              0.0065830        
  9     50.4640000              0.0146450        
 10     27.1483000              0.0257980        
 11     14.9256000              0.0366620        
 12      8.3161700              0.0334130        
 13      4.6208600             -0.0073480        
 14      2.5113800             -0.0897590        
 15      1.3309100             -0.1469230        
 16      0.6904150             -0.1705400        
 17      0.3432070              0.0258650        
 18      0.1459030              0.6050070        
 19      0.0629230              0.4600060        
P   19
  1  67602.1000000              0.0000040        
  2  16330.1000000              0.0000110        
  3   5149.5900000              0.0000490        
  4   1950.0300000              0.0001630        
  5    834.4630000              0.0006020        
  6    386.9900000              0.0017350        
  7    189.3720000              0.0053940        
  8     96.2845000              0.0126850        
  9     50.4640000              0.0308350        
 10     27.1483000              0.0487250        
 11     14.9256000              0.0823030        
 12      8.3161700              0.0594740        
 13      4.6208600              0.0086460        
 14      2.5113800             -0.2621160        
 15      1.3309100             -0.3935920        
 16      0.6904150             -0.2871610        
 17      0.3432070              1.2506070        
 18      0.1459030              0.2254460        
 19      0.0629230             -0.8781090        
P   19
  1  67602.1000000             -0.0000040        
  2  16330.1000000             -0.0000160        
  3   5149.5900000             -0.0000560        
  4   1950.0300000             -0.0002410        
  5    834.4630000             -0.0006620        
  6    386.9900000             -0.0026190        
  7    189.3720000             -0.0058290        
  8     96.2845000             -0.0193560        
  9     50.4640000             -0.0319690        
 10     27.1483000             -0.0805560        
 11     14.9256000             -0.0704160        
 12      8.3161700             -0.1831570        
 13      4.6208600              0.1115480        
 14      2.5113800              0.3981650        
 15      1.3309100              1.0931130        
 16      0.6904150             -1.8838240        
 17      0.3432070             -0.2273100        
 18      0.1459030              1.8732010        
 19      0.0629230             -1.1618350        
P   19
  1  67602.1000000             -0.0000060        
  2  16330.1000000             -0.0000190        
  3   5149.5900000             -0.0000870        
  4   1950.0300000             -0.0002700        
  5    834.4630000             -0.0010940        
  6    386.9900000             -0.0028450        
  7    189.3720000             -0.0098880        
  8     96.2845000             -0.0208950        
  9     50.4640000             -0.0577290        
 10     27.1483000             -0.0780440        
 11     14.9256000             -0.1627120        
 12      8.3161700             -0.1599950        
 13      4.6208600              0.0926730        
 14      2.5113800              1.5778810        
 15      1.3309100             -0.8678530        
 16      0.6904150             -2.5562590        
 17      0.3432070              4.0136040        
 18      0.1459030             -2.7955480        
 19      0.0629230              0.8804900        
P   1
  1      0.0268830              1.0000000        
P   1
  1      6.7472000              1.0000000        
P   1
  1      1.9539000              1.0000000        
P   1
  1      0.0114900              1.0000000        
D   11
  1    315.8080000              0.0002050        
  2     93.6334000              0.0018340        
  3     36.0393000              0.0095670        
  4     15.6258000              0.0329840        
  5      7.2005900              0.0872900        
  6      3.4805900              0.1761900        
  7      1.7098600              0.2606360        
  8      0.8329620              0.2990220        
  9      0.3976410              0.2693220        
 10      0.1841450              0.1762820        
 11      0.0821190              0.0656500        
D   11
  1    315.8080000             -0.0002170        
  2     93.6334000             -0.0019460        
  3     36.0393000             -0.0101870        
  4     15.6258000             -0.0353910        
  5      7.2005900             -0.0959860        
  6      3.4805900             -0.1908580        
  7      1.7098600             -0.2515260        
  8      0.8329620             -0.1781850        
  9      0.3976410              0.1286570        
 10      0.1841450              0.4500970        
 11      0.0821190              0.3818610        
D   11
  1    315.8080000             -0.0003380        
  2     93.6334000             -0.0030140        
  3     36.0393000             -0.0159950        
  4     15.6258000             -0.0560850        
  5      7.2005900             -0.1575950        
  6      3.4805900             -0.2972960        
  7      1.7098600             -0.2699670        
  8      0.8329620              0.2244730        
  9      0.3976410              0.6824160        
 10      0.1841450              0.0013190        
 11      0.0821190             -0.5971310        
D   11
  1    315.8080000             -0.0004460        
  2     93.6334000             -0.0038100        
  3     36.0393000             -0.0212090        
  4     15.6258000             -0.0727570        
  5      7.2005900             -0.2287970        
  6      3.4805900             -0.3698700        
  7      1.7098600             -0.0120350        
  8      0.8329620              0.9990860        
  9      0.3976410             -0.2211580        
 10      0.1841450             -1.0290000        
 11      0.0821190              0.6624090        
D   11
  1    315.8080000              0.0005350        
  2     93.6334000              0.0056360        
  3     36.0393000              0.0266230        
  4     15.6258000              0.1140920        
  5      7.2005900              0.3131230        
  6      3.4805900              0.4547320        
  7      1.7098600             -0.9829330        
  8      0.8329620             -0.3904280        
  9      0.3976410              1.8432160        
 10      0.1841450             -1.5757380        
 11      0.0821190              0.2036060        
D   1
  1      0.0344420              1.0000000        
D   1
  1      4.2941000              1.0000000        
D   1
  1      2.5036000              1.0000000        
D   1
  1      0.0144500              1.0000000        
F   1
  1      6.6514000              1.0000000        
F   1
  1      2.8885000              1.0000000        
F   1
  1      1.2544000              1.0000000        
F   1
  1      0.5447000              1.0000000        
F   1
  1      0.1769000              1.0000000        
F   1
  1      0.0574500              1.0000000        
G   1
  1      4.8058000              1.0000000        
G   1
  1      2.2562000              1.0000000        
G   1
  1      1.0592000              1.0000000        
G   1
  1      0.3521000              1.0000000        
G   1
  1      0.1170500              1.0000000        
H   1
  1      4.3898000              1.0000000        
H   1
  1      1.9449000              1.0000000        
H   1
  1      0.6908000              1.0000000        
H   1
  1      0.2453600              1.0000000        
I   1
  1      4.1690000              1.0000000        
I   1
  1      1.5368000              1.0000000        
I   1
  1      0.5665000              1.0000000        


name: aug-cc-pwCV5Z-DK
description: V5ZPD All-electron Douglas-Kroll Core-Valence Quintuple Zeta + Polarization
elt: Cr
data:
CHROMIUM
S   27
  1      1.35540E+08            7.988356E-06     
  2      2.42404E+07            1.931266E-05     
  3      5.41227E+06            5.501981E-05     
  4      1.44792E+06            0.0001302212     
  5 448199.0000000              0.0002927924     
  6 155899.0000000              0.00062447       
  7  59479.6000000              0.001312315      
  8  24408.1000000              0.002757895      
  9  10607.0000000              0.005886864      
 10   4823.0800000              0.01275334       
 11   2274.0800000              0.02764037       
 12   1104.5400000              0.0580299        
 13    550.0990000              0.1129400        
 14    280.0100000              0.1914790        
 15    145.3300000              0.2553998        
 16     76.7551000              0.2241805        
 17     41.1594000              0.1046212        
 18     22.3445000              0.05226127       
 19     12.2293000              0.0943261        
 20      6.7077700              0.08989426       
 21      3.6569400              0.02958319       
 22      1.9597800              0.00260282       
 23      1.0175800              0.0001529062     
 24      0.5129130             -3.148845E-05     
 25      0.1947980              3.298129E-06     
 26      0.1109690              1.448278E-05     
 27      0.0521230              2.195862E-05     
S   27
  1      1.35540E+08           -4.423503E-06     
  2      2.42404E+07           -1.069522E-05     
  3      5.41227E+06           -3.047394E-05     
  4      1.44792E+06           -7.21459E-05      
  5 448199.0000000             -0.0001622872     
  6 155899.0000000             -0.0003463873     
  7  59479.6000000             -0.0007287714     
  8  24408.1000000             -0.001534531      
  9  10607.0000000             -0.003285742      
 10   4823.0800000             -0.007158385      
 11   2274.0800000             -0.01567068       
 12   1104.5400000             -0.03354476       
 13    550.0990000             -0.0677352        
 14    280.0100000             -0.1233915        
 15    145.3300000             -0.1891323        
 16     76.7551000             -0.2118809        
 17     41.1594000             -0.1088253        
 18     22.3445000              0.1418616        
 19     12.2293000              0.4340020        
 20      6.7077700              0.4205940        
 21      3.6569400              0.1383169        
 22      1.9597800              0.01178943       
 23      1.0175800             -0.0005634646     
 24      0.5129130             -0.0006341974     
 25      0.1947980             -6.242247E-05     
 26      0.1109690              0.0001024304     
 27      0.0521230              8.812774E-05     
S   27
  1      1.35540E+08            9.507938E-07     
  2      2.42404E+07            2.29903E-06      
  3      5.41227E+06            6.55129E-06      
  4      1.44792E+06            1.551391E-05     
  5 448199.0000000              3.490796E-05     
  6 155899.0000000              7.456195E-05     
  7  59479.6000000              0.0001569865     
  8  24408.1000000              0.0003311904     
  9  10607.0000000              0.0007105562     
 10   4823.0800000              0.001556112      
 11   2274.0800000              0.003430565      
 12   1104.5400000              0.007463144      
 13    550.0990000              0.01547014       
 14    280.0100000              0.02968119       
 15    145.3300000              0.04946573       
 16     76.7551000              0.06298093       
 17     41.1594000              0.03446065       
 18     22.3445000             -0.06854433       
 19     12.2293000             -0.2618341        
 20      6.7077700             -0.3734862        
 21      3.6569400             -0.09374652       
 22      1.9597800              0.4031850        
 23      1.0175800              0.5928442        
 24      0.5129130              0.2710006        
 25      0.1947980              0.02094043       
 26      0.1109690             -0.003769577      
 27      0.0521230              0.003102853      
S   27
  1      1.35540E+08           -2.169298E-07     
  2      2.42404E+07           -5.245406E-07     
  3      5.41227E+06           -1.494719E-06     
  4      1.44792E+06           -3.539655E-06     
  5 448199.0000000             -7.964466E-06     
  6 155899.0000000             -1.701262E-05     
  7  59479.6000000             -3.581758E-05     
  8  24408.1000000             -7.557175E-05     
  9  10607.0000000             -0.0001621265     
 10   4823.0800000             -0.0003551212     
 11   2274.0800000             -0.0007829176     
 12   1104.5400000             -0.001703819      
 13    550.0990000             -0.003533391      
 14    280.0100000             -0.006786357      
 15    145.3300000             -0.01133321       
 16     76.7551000             -0.01448465       
 17     41.1594000             -0.007973652      
 18     22.3445000              0.0160128        
 19     12.2293000              0.06326731       
 20      6.7077700              0.09472229       
 21      3.6569400              0.02146664       
 22      1.9597800             -0.1199792        
 23      1.0175800             -0.2179553        
 24      0.5129130             -0.2049556        
 25      0.1947980              0.02536035       
 26      0.1109690              0.4083642        
 27      0.0521230              0.5538116        
S   27
  1      1.35540E+08           -4.324902E-07     
  2      2.42404E+07           -1.04551E-06      
  3      5.41227E+06           -2.980671E-06     
  4      1.44792E+06           -7.052143E-06     
  5 448199.0000000             -1.58966E-05      
  6 155899.0000000             -3.383913E-05     
  7  59479.6000000             -7.168719E-05     
  8  24408.1000000             -0.000149717      
  9  10607.0000000             -0.0003261726     
 10   4823.0800000             -0.0006995308     
 11   2274.0800000             -0.00158454       
 12   1104.5400000             -0.003337475      
 13    550.0990000             -0.007202878      
 14    280.0100000             -0.01318455       
 15    145.3300000             -0.02352663       
 16     76.7551000             -0.02711642       
 17     41.1594000             -0.0202532        
 18     22.3445000              0.04086224       
 19     12.2293000              0.1151279        
 20      6.7077700              0.2357592        
 21      3.6569400             -0.01495497       
 22      1.9597800             -0.2568686        
 23      1.0175800             -0.7608963        
 24      0.5129130              0.1231665        
 25      0.1947980              1.3336790        
 26      0.1109690              0.3116838        
 27      0.0521230             -0.7120654        
S   27
  1      1.35540E+08           -6.655637E-07     
  2      2.42404E+07           -1.608754E-06     
  3      5.41227E+06           -4.587504E-06     
  4      1.44792E+06           -1.08491E-05      
  5 448199.0000000             -2.447725E-05     
  6 155899.0000000             -5.20181E-05      
  7  59479.6000000             -0.0001105326     
  8  24408.1000000             -0.0002297131     
  9  10607.0000000             -0.000504199      
 10   4823.0800000             -0.001070484      
 11   2274.0800000             -0.00245684       
 12   1104.5400000             -0.005096075      
 13    550.0990000             -0.01121471       
 14    280.0100000             -0.02008902       
 15    145.3300000             -0.03704662       
 16     76.7551000             -0.04084003       
 17     41.1594000             -0.03465912       
 18     22.3445000              0.07017551       
 19     12.2293000              0.1839111        
 20      6.7077700              0.4352639        
 21      3.6569400             -0.1145446        
 22      1.9597800             -0.7658490        
 23      1.0175800             -1.3228080        
 24      0.5129130              2.3125880        
 25      0.1947980              1.1444920        
 26      0.1109690             -2.7281420        
 27      0.0521230              0.1723585        
S   27
  1      1.35540E+08            8.351431E-07     
  2      2.42404E+07            2.021012E-06     
  3      5.41227E+06            5.750406E-06     
  4      1.44792E+06            1.365756E-05     
  5 448199.0000000              3.055438E-05     
  6 155899.0000000              6.599075E-05     
  7  59479.6000000              0.0001362312     
  8  24408.1000000              0.0002968797     
  9  10607.0000000              0.0006067803     
 10   4823.0800000              0.001420496      
 11   2274.0800000              0.002878306      
 12   1104.5400000              0.006948735      
 13    550.0990000              0.01275716       
 14    280.0100000              0.02863296       
 15    145.3300000              0.03931614       
 16     76.7551000              0.06960472       
 17     41.1594000              0.007792521      
 18     22.3445000             -0.01205026       
 19     12.2293000             -0.4427734        
 20      6.7077700             -0.3877571        
 21      3.6569400              0.1015322        
 22      1.9597800              2.4134830        
 23      1.0175800             -1.3135760        
 24      0.5129130             -2.6704710        
 25      0.1947980              5.1440310        
 26      0.1109690             -2.5322670        
 27      0.0521230             -2.0012780        
S   27
  1      1.35540E+08           -1.037822E-06     
  2      2.42404E+07           -2.51344E-06      
  3      5.41227E+06           -7.141104E-06     
  4      1.44792E+06           -1.700894E-05     
  5 448199.0000000             -3.783814E-05     
  6 155899.0000000             -8.261133E-05     
  7  59479.6000000             -0.0001672367     
  8  24408.1000000             -0.0003762776     
  9  10607.0000000             -0.0007322734     
 10   4823.0800000             -0.001831629      
 11   2274.0800000             -0.003406227      
 12   1104.5400000             -0.009120497      
 13    550.0990000             -0.01478319       
 14    280.0100000             -0.03866482       
 15    145.3300000             -0.04311799       
 16     76.7551000             -0.1032378        
 17     41.1594000              0.02075082       
 18     22.3445000             -0.03914516       
 19     12.2293000              0.7650270        
 20      6.7077700              0.4583898        
 21      3.6569400             -0.8162241        
 22      1.9597800             -4.2566620        
 23      1.0175800              8.7954540        
 24      0.5129130             -6.3674240        
 25      0.1947980             -0.07718246       
 26      0.1109690              4.9948380        
 27      0.0521230             -5.5369870        
S   1
  1      0.0244890              1.0000000        
S   1
  1      5.2776000              1.0000000        
S   1
  1      1.7542000              1.0000000        
S   1
  1      0.0115100              1.0000000        
P   19
  1  72029.6000000              0.0000180        
  2  17890.9000000              0.0000580        
  3   5678.2800000              0.0002350        
  4   2138.7500000              0.0008390        
  5    905.8550000              0.0028990        
  6    415.6450000              0.0091160        
  7    201.6950000              0.0259650        
  8    102.0400000              0.0652290        
  9     53.3955000              0.1381920        
 10     28.7570000              0.2329390        
 11     15.8536000              0.3018830        
 12      8.8638500              0.2665600        
 13      4.9433400              0.1274760        
 14      2.6973200              0.0235560        
 15      1.4364300             -0.0004170        
 16      0.7485180             -0.0014190        
 17      0.3733100             -0.0006110        
 18      0.1577460             -0.0000370        
 19      0.0674450             -0.0000060        
P   19
  1  72029.6000000             -0.0000060        
  2  17890.9000000             -0.0000200        
  3   5678.2800000             -0.0000810        
  4   2138.7500000             -0.0002910        
  5    905.8550000             -0.0010080        
  6    415.6450000             -0.0031870        
  7    201.6950000             -0.0091780        
  8    102.0400000             -0.0235020        
  9     53.3955000             -0.0513060        
 10     28.7570000             -0.0894510        
 11     15.8536000             -0.1220480        
 12      8.8638500             -0.1053490        
 13      4.9433400              0.0349420        
 14      2.6973200              0.2633420        
 15      1.4364300              0.4014720        
 16      0.7485180              0.3252750        
 17      0.3733100              0.1179790        
 18      0.1577460              0.0104140        
 19      0.0674450              0.0003090        
P   19
  1  72029.6000000              0.0000020        
  2  17890.9000000              0.0000050        
  3   5678.2800000              0.0000190        
  4   2138.7500000              0.0000680        
  5    905.8550000              0.0002390        
  6    415.6450000              0.0007500        
  7    201.6950000              0.0021780        
  8    102.0400000              0.0055440        
  9     53.3955000              0.0122430        
 10     28.7570000              0.0211740        
 11     15.8536000              0.0296210        
 12      8.8638500              0.0246650        
 13      4.9433400             -0.0108710        
 14      2.6973200             -0.0772030        
 15      1.4364300             -0.1173230        
 16      0.7485180             -0.1154640        
 17      0.3733100              0.0466460        
 18      0.1577460              0.3726460        
 19      0.0674450              0.5199920        
P   19
  1  72029.6000000              0.0000020        
  2  17890.9000000              0.0000060        
  3   5678.2800000              0.0000250        
  4   2138.7500000              0.0000880        
  5    905.8550000              0.0003080        
  6    415.6450000              0.0009680        
  7    201.6950000              0.0028070        
  8    102.0400000              0.0071480        
  9     53.3955000              0.0157580        
 10     28.7570000              0.0273110        
 11     15.8536000              0.0381310        
 12      8.8638500              0.0321240        
 13      4.9433400             -0.0130760        
 14      2.6973200             -0.0972130        
 15      1.4364300             -0.1500190        
 16      0.7485180             -0.1633260        
 17      0.3733100              0.0542490        
 18      0.1577460              0.6112600        
 19      0.0674450              0.4390970        
P   19
  1  72029.6000000              0.0000040        
  2  17890.9000000              0.0000120        
  3   5678.2800000              0.0000530        
  4   2138.7500000              0.0001780        
  5    905.8550000              0.0006580        
  6    415.6450000              0.0019430        
  7    201.6950000              0.0060100        
  8    102.0400000              0.0142900        
  9     53.3955000              0.0340490        
 10     28.7570000              0.0535590        
 11     15.8536000              0.0880820        
 12      8.8638500              0.0596580        
 13      4.9433400             -0.0075160        
 14      2.6973200             -0.3010680        
 15      1.4364300             -0.4037260        
 16      0.7485180             -0.1805400        
 17      0.3733100              1.2490040        
 18      0.1577460              0.1136350        
 19      0.0674450             -0.8277730        
P   19
  1  72029.6000000              0.0000050        
  2  17890.9000000              0.0000170        
  3   5678.2800000              0.0000630        
  4   2138.7500000              0.0002590        
  5    905.8550000              0.0007560        
  6    415.6450000              0.0028670        
  7    201.6950000              0.0068170        
  8    102.0400000              0.0213860        
  9     53.3955000              0.0371400        
 10     28.7570000              0.0867790        
 11     15.8536000              0.0821420        
 12      8.8638500              0.1832060        
 13      4.9433400             -0.1563700        
 14      2.6973200             -0.5064860        
 15      1.4364300             -0.8977050        
 16      0.7485180              1.9776090        
 17      0.3733100             -0.0784390        
 18      0.1577460             -1.6907600        
 19      0.0674450              1.1510650        
P   19
  1  72029.6000000             -0.0000070        
  2  17890.9000000             -0.0000210        
  3   5678.2800000             -0.0000960        
  4   2138.7500000             -0.0002840        
  5    905.8550000             -0.0012270        
  6    415.6450000             -0.0030680        
  7    201.6950000             -0.0113470        
  8    102.0400000             -0.0225260        
  9     53.3955000             -0.0663840        
 10     28.7570000             -0.0792560        
 11     15.8536000             -0.1962790        
 12      8.8638500             -0.1328260        
 13      4.9433400              0.2007610        
 14      2.6973200              1.6694880        
 15      1.4364300             -1.5147710        
 16      0.7485180             -1.7673040        
 17      0.3733100              3.6122160        
 18      0.1577460             -2.7767190        
 19      0.0674450              1.0038450        
P   1
  1      0.0285490              1.0000000        
P   1
  1      7.7063000              1.0000000        
P   1
  1      2.2690000              1.0000000        
P   1
  1      0.0120800              1.0000000        
D   11
  1    408.6230000              0.0001600        
  2    120.7610000              0.0014480        
  3     46.4460000              0.0078230        
  4     20.2390000              0.0281850        
  5      9.3638100              0.0772900        
  6      4.5309400              0.1641140        
  7      2.2314000              0.2548640        
  8      1.0877600              0.3022260        
  9      0.5173840              0.2792280        
 10      0.2371640              0.1870480        
 11      0.1033080              0.0708990        
D   11
  1    408.6230000             -0.0001810        
  2    120.7610000             -0.0016430        
  3     46.4460000             -0.0089270        
  4     20.2390000             -0.0323460        
  5      9.3638100             -0.0912500        
  6      4.5309400             -0.1928490        
  7      2.2314000             -0.2645410        
  8      1.0877600             -0.1867400        
  9      0.5173840              0.1269280        
 10      0.2371640              0.4503720        
 11      0.1033080              0.3818950        
D   11
  1    408.6230000             -0.0002610        
  2    120.7610000             -0.0023550        
  3     46.4460000             -0.0129600        
  4     20.2390000             -0.0472650        
  5      9.3638100             -0.1386330        
  6      4.5309400             -0.2864130        
  7      2.2314000             -0.2875130        
  8      1.0877600              0.1816790        
  9      0.5173840              0.6898620        
 10      0.2371640              0.0343680        
 11      0.1033080             -0.6335340        
D   11
  1    408.6230000             -0.0003830        
  2    120.7610000             -0.0032790        
  3     46.4460000             -0.0190900        
  4     20.2390000             -0.0677960        
  5      9.3638100             -0.2245640        
  6      4.5309400             -0.4060110        
  7      2.2314000             -0.0277500        
  8      1.0877600              0.9973750        
  9      0.5173840             -0.1697640        
 10      0.2371640             -1.0397890        
 11      0.1033080              0.6710790        
D   11
  1    408.6230000              0.0004370        
  2    120.7610000              0.0045890        
  3     46.4460000              0.0227170        
  4     20.2390000              0.0996160        
  5      9.3638100              0.3058450        
  6      4.5309400              0.4774610        
  7      2.2314000             -0.9325180        
  8      1.0877600             -0.4753000        
  9      0.5173840              1.8742470        
 10      0.2371640             -1.5688730        
 11      0.1033080              0.2238730        
D   1
  1      0.0414480              1.0000000        
D   1
  1      5.1967000              1.0000000        
D   1
  1      3.1194000              1.0000000        
D   1
  1      0.0166300              1.0000000        
F   1
  1      8.1276000              1.0000000        
F   1
  1      3.5260000              1.0000000        
F   1
  1      1.5297000              1.0000000        
F   1
  1      0.6636000              1.0000000        
F   1
  1      0.2158000              1.0000000        
F   1
  1      0.0701800              1.0000000        
G   1
  1      5.5422000              1.0000000        
G   1
  1      2.6311000              1.0000000        
G   1
  1      1.2491000              1.0000000        
G   1
  1      0.4265000              1.0000000        
G   1
  1      0.1456300              1.0000000        
H   1
  1      5.1778000              1.0000000        
H   1
  1      2.3419000              1.0000000        
H   1
  1      0.8661000              1.0000000        
H   1
  1      0.3203100              1.0000000        
I   1
  1      5.1719000              1.0000000        
I   1
  1      2.0805000              1.0000000        
I   1
  1      0.8369200              1.0000000        


name: aug-cc-pwCV5Z-DK
description: V5ZPD All-electron Douglas-Kroll Core-Valence Quintuple Zeta + Polarization
elt: Mn
data:
MANGANESE
S   27
  1      1.37766E+08            9.175881E-06     
  2      2.45640E+07            2.220837E-05     
  3      5.47999E+06            6.312902E-05     
  4      1.46664E+06            0.000149043      
  5 454421.0000000              0.000334252      
  6 158216.0000000              0.0007110598     
  7  60404.3000000              0.001490706      
  8  24793.6000000              0.003125433      
  9  10772.3000000              0.00665555       
 10   4895.5400000              0.01438106       
 11   2306.5600000              0.03106181       
 12   1119.5600000              0.06485971       
 13    557.3810000              0.1250063        
 14    283.7780000              0.2083100        
 15    147.4360000              0.2695263        
 16     78.0227000              0.2254809        
 17     41.9679000              0.09819842       
 18     22.8778000              0.04363582       
 19     12.5845000              0.0696258        
 20      6.9417000              0.05919984       
 21      3.8062900              0.01745965       
 22      2.0503100              0.001273075      
 23      1.0683800             -8.199702E-05     
 24      0.5366060             -8.846319E-05     
 25      0.1832600             -6.838112E-07     
 26      0.1052970              9.2988E-06       
 27      0.0514640              1.077915E-05     
S   27
  1      1.37766E+08           -4.381338E-06     
  2      2.45640E+07           -1.060525E-05     
  3      5.47999E+06           -3.015144E-05     
  4      1.46664E+06           -7.120841E-05     
  5 454421.0000000             -0.0001597824     
  6 158216.0000000             -0.000340203      
  7  60404.3000000             -0.0007142262     
  8  24793.6000000             -0.001500807      
  9  10772.3000000             -0.003208026      
 10   4895.5400000             -0.006976942      
 11   2306.5600000             -0.01525116       
 12   1119.5600000             -0.0325723        
 13    557.3810000             -0.06555716       
 14    283.7780000             -0.1186999        
 15    147.4360000             -0.1799524        
 16     78.0227000             -0.1951121        
 17     41.9679000             -0.08217273       
 18     22.8778000              0.1808616        
 19     12.5845000              0.4586460        
 20      6.9417000              0.3972272        
 21      3.8062900              0.1168848        
 22      2.0503100              0.007958495      
 23      1.0683800             -0.002092204      
 24      0.5366060             -0.001135142      
 25      0.1832600             -7.879372E-05     
 26      0.1052970              0.0001025231     
 27      0.0514640              5.410158E-05     
S   27
  1      1.37766E+08            1.068287E-06     
  2      2.45640E+07            2.586031E-06     
  3      5.47999E+06            7.352933E-06     
  4      1.46664E+06            1.736941E-05     
  5 454421.0000000              3.898542E-05     
  6 158216.0000000              8.306111E-05     
  7  60404.3000000              0.0001744949     
  8  24793.6000000              0.0003673057     
  9  10772.3000000              0.0007865417     
 10   4895.5400000              0.001718715      
 11   2306.5600000              0.00378089       
 12   1119.5600000              0.008193983      
 13    557.3810000              0.01688439       
 14    283.7780000              0.03203007       
 15    147.4360000              0.05227776       
 16     78.0227000              0.06329496       
 17     41.9679000              0.02730142       
 18     22.8778000             -0.08717741       
 19     12.5845000             -0.2875772        
 20      6.9417000             -0.3628884        
 21      3.8062900             -0.04215027       
 22      2.0503100              0.4388709        
 23      1.0683800              0.5771293        
 24      0.5366060              0.2387704        
 25      0.1832600              0.01570217       
 26      0.1052970             -0.004203808      
 27      0.0514640              0.003045068      
S   27
  1      1.37766E+08           -2.38094E-07      
  2      2.45640E+07           -5.763617E-07     
  3      5.47999E+06           -1.638783E-06     
  4      1.46664E+06           -3.871248E-06     
  5 454421.0000000             -8.688905E-06     
  6 158216.0000000             -1.851283E-05     
  7  60404.3000000             -3.889181E-05     
  8  24793.6000000             -8.18682E-05      
  9  10772.3000000             -0.0001753253     
 10   4895.5400000             -0.000383106      
 11   2306.5600000             -0.0008430459     
 12   1119.5600000             -0.001827049      
 13    557.3810000             -0.003768381      
 14    283.7780000             -0.0071523        
 15    147.4360000             -0.01170913       
 16     78.0227000             -0.01421051       
 17     41.9679000             -0.006206358      
 18     22.8778000              0.02000513       
 19     12.5845000              0.06799373       
 20      6.9417000              0.09008027       
 21      3.8062900              0.006726841      
 22      2.0503100             -0.1266192        
 23      1.0683800             -0.2141210        
 24      0.5366060             -0.1856184        
 25      0.1832600              0.0909400        
 26      0.1052970              0.4118037        
 27      0.0514640              0.5094118        
S   27
  1      1.37766E+08           -4.84787E-07      
  2      2.45640E+07           -1.173096E-06     
  3      5.47999E+06           -3.337866E-06     
  4      1.46664E+06           -7.874209E-06     
  5 454421.0000000             -1.77214E-05      
  6 158216.0000000             -3.756312E-05     
  7  60404.3000000             -7.964774E-05     
  8  24793.6000000             -0.000165119      
  9  10772.3000000             -0.0003618268     
 10   4895.5400000             -0.0007660144     
 11   2306.5600000             -0.00175539       
 12   1119.5600000             -0.003620866      
 13    557.3810000             -0.007932822      
 14    283.7780000             -0.01397326       
 15    147.4360000             -0.02536594       
 16     78.0227000             -0.02583964       
 17     41.9679000             -0.01989071       
 18     22.8778000              0.05587662       
 19     12.5845000              0.1164236        
 20      6.9417000              0.2517457        
 21      3.8062900             -0.08002852       
 22      2.0503100             -0.2433200        
 23      1.0683800             -0.8158726        
 24      0.5366060              0.3234709        
 25      0.1832600              1.5214530        
 26      0.1052970             -0.1148130        
 27      0.0514640             -0.6387061        
S   27
  1      1.37766E+08           -7.512011E-07     
  2      2.45640E+07           -1.817618E-06     
  3      5.47999E+06           -5.172616E-06     
  4      1.46664E+06           -1.21987E-05      
  5 454421.0000000             -2.747141E-05     
  6 158216.0000000             -5.816137E-05     
  7  60404.3000000             -0.0001235878     
  8  24793.6000000             -0.0002553343     
  9  10772.3000000             -0.0005624479     
 10   4895.5400000             -0.001182468      
 11   2306.5600000             -0.002734688      
 12   1119.5600000             -0.005582357      
 13    557.3810000             -0.01239937       
 14    283.7780000             -0.0215283        
 15    147.4360000             -0.04003117       
 16     78.0227000             -0.03951846       
 17     41.9679000             -0.03357302       
 18     22.8778000              0.09316877       
 19     12.5845000              0.1936863        
 20      6.9417000              0.4576255        
 21      3.8062900             -0.2269693        
 22      2.0503100             -0.8205798        
 23      1.0683800             -1.1703670        
 24      0.5366060              2.4796750        
 25      0.1832600              0.5071965        
 26      0.1052970             -2.4559780        
 27      0.0514640              0.4637332        
S   27
  1      1.37766E+08            9.501859E-07     
  2      2.45640E+07            2.302638E-06     
  3      5.47999E+06            6.534031E-06     
  4      1.46664E+06            1.549527E-05     
  5 454421.0000000              3.451419E-05     
  6 158216.0000000              7.462236E-05     
  7  60404.3000000              0.0001527131     
  8  24793.6000000              0.0003356054     
  9  10772.3000000              0.0006735275     
 10   4895.5400000              0.001608663      
 11   2306.5600000              0.003158595      
 12   1119.5600000              0.007873457      
 13    557.3810000              0.01373173       
 14    283.7780000              0.03227593       
 15    147.4360000              0.03976109       
 16     78.0227000              0.07706429       
 17     41.9679000             -0.01214183       
 18     22.8778000             -0.005722879      
 19     12.5845000             -0.5354706        
 20      6.9417000             -0.2928017        
 21      3.8062900              0.09232953       
 22      2.0503100              2.8929030        
 23      1.0683800             -2.5729720        
 24      0.5366060             -1.3308900        
 25      0.1832600              5.1351630        
 26      0.1052970             -3.8523080        
 27      0.0514640             -0.9550986        
S   27
  1      1.37766E+08           -1.128118E-06     
  2      2.45640E+07           -2.733535E-06     
  3      5.47999E+06           -7.758502E-06     
  4      1.46664E+06           -1.839184E-05     
  5 454421.0000000             -4.099951E-05     
  6 158216.0000000             -8.851677E-05     
  7  60404.3000000             -0.0001816369     
  8  24793.6000000             -0.0003975353     
  9  10772.3000000             -0.0008030675     
 10   4895.5400000             -0.001902448      
 11   2306.5600000             -0.003779167      
 12   1119.5600000             -0.009307704      
 13    557.3810000             -0.0165406        
 14    283.7780000             -0.03821704       
 15    147.4360000             -0.04887395       
 16     78.0227000             -0.09128293       
 17     41.9679000              0.008491437      
 18     22.8778000              0.02611301       
 19     12.5845000              0.7079390        
 20      6.9417000              0.6498609        
 21      3.8062900             -1.5963690        
 22      2.0503100             -3.2731990        
 23      1.0683800              8.6437670        
 24      0.5366060             -7.1910560        
 25      0.1832600              2.6285060        
 26      0.1052970              1.9458760        
 27      0.0514640             -4.4344500        
S   1
  1      0.0246780              1.0000000        
S   1
  1      5.8340000              1.0000000        
S   1
  1      1.9879000              1.0000000        
S   1
  1      0.0118300              1.0000000        
P   19
  1  79296.8000000              0.0000200        
  2  19317.1000000              0.0000630        
  3   6114.1000000              0.0002480        
  4   2316.2600000              0.0008630        
  5    989.6900000              0.0029100        
  6    457.9420000              0.0090030        
  7    223.6420000              0.0254540        
  8    113.5940000              0.0639330        
  9     59.5621000              0.1361980        
 10     32.1072000              0.2315300        
 11     17.7103000              0.3023300        
 12      9.9062100              0.2689820        
 13      5.5224300              0.1295470        
 14      3.0083200              0.0233200        
 15      1.5987300             -0.0015660        
 16      0.8308680             -0.0023560        
 17      0.4135380             -0.0009350        
 18      0.1712140             -0.0000620        
 19      0.0721220             -0.0000060        
P   19
  1  79296.8000000             -0.0000070        
  2  19317.1000000             -0.0000220        
  3   6114.1000000             -0.0000860        
  4   2316.2600000             -0.0003000        
  5    989.6900000             -0.0010160        
  6    457.9420000             -0.0031590        
  7    223.6420000             -0.0090310        
  8    113.5940000             -0.0231260        
  9     59.5621000             -0.0507790        
 10     32.1072000             -0.0893990        
 11     17.7103000             -0.1228770        
 12      9.9062100             -0.1065140        
 13      5.5224300              0.0357560        
 14      3.0083200              0.2669420        
 15      1.5987300              0.4036250        
 16      0.8308680              0.3225890        
 17      0.4135380              0.1156130        
 18      0.1712140              0.0099950        
 19      0.0721220              0.0001640        
P   19
  1  79296.8000000             -0.0000020        
  2  19317.1000000             -0.0000050        
  3   6114.1000000             -0.0000200        
  4   2316.2600000             -0.0000690        
  5    989.6900000             -0.0002350        
  6    457.9420000             -0.0007240        
  7    223.6420000             -0.0020910        
  8    113.5940000             -0.0053130        
  9     59.5621000             -0.0118180        
 10     32.1072000             -0.0205920        
 11     17.7103000             -0.0290740        
 12      9.9062100             -0.0242130        
 13      5.5224300              0.0103870        
 14      3.0083200              0.0758020        
 15      1.5987300              0.1132510        
 16      0.8308680              0.1107600        
 17      0.4135380             -0.0458160        
 18      0.1712140             -0.3666060        
 19      0.0721220             -0.5209940        
P   19
  1  79296.8000000              0.0000020        
  2  19317.1000000              0.0000070        
  3   6114.1000000              0.0000270        
  4   2316.2600000              0.0000940        
  5    989.6900000              0.0003190        
  6    457.9420000              0.0009840        
  7    223.6420000              0.0028430        
  8    113.5940000              0.0072090        
  9     59.5621000              0.0160560        
 10     32.1072000              0.0279420        
 11     17.7103000              0.0396110        
 12      9.9062100              0.0329680        
 13      5.5224300             -0.0131210        
 14      3.0083200             -0.1026490        
 15      1.5987300             -0.1544890        
 16      0.8308680             -0.1600600        
 17      0.4135380              0.0784490        
 18      0.1712140              0.6163740        
 19      0.0721220              0.4207930        
P   19
  1  79296.8000000              0.0000050        
  2  19317.1000000              0.0000140        
  3   6114.1000000              0.0000580        
  4   2316.2600000              0.0001920        
  5    989.6900000              0.0006960        
  6    457.9420000              0.0020080        
  7    223.6420000              0.0062130        
  8    113.5940000              0.0146760        
  9     59.5621000              0.0353990        
 10     32.1072000              0.0558380        
 11     17.7103000              0.0928570        
 12      9.9062100              0.0627380        
 13      5.5224300             -0.0076120        
 14      3.0083200             -0.3326500        
 15      1.5987300             -0.4106540        
 16      0.8308680             -0.1060750        
 17      0.4135380              1.2223080        
 18      0.1712140              0.0490250        
 19      0.0721220             -0.7934070        
P   19
  1  79296.8000000              0.0000060        
  2  19317.1000000              0.0000200        
  3   6114.1000000              0.0000710        
  4   2316.2600000              0.0002850        
  5    989.6900000              0.0008150        
  6    457.9420000              0.0030400        
  7    223.6420000              0.0071830        
  8    113.5940000              0.0225240        
  9     59.5621000              0.0396270        
 10     32.1072000              0.0922750        
 11     17.7103000              0.0881760        
 12      9.9062100              0.1941840        
 13      5.5224300             -0.1735320        
 14      3.0083200             -0.6083310        
 15      1.5987300             -0.7382110        
 16      0.8308680              2.0243030        
 17      0.4135380             -0.3298290        
 18      0.1712140             -1.4935320        
 19      0.0721220              1.1177440        
P   19
  1  79296.8000000              0.0000080        
  2  19317.1000000              0.0000250        
  3   6114.1000000              0.0001060        
  4   2316.2600000              0.0003420        
  5    989.6900000              0.0012720        
  6    457.9420000              0.0035810        
  7    223.6420000              0.0114470        
  8    113.5940000              0.0264520        
  9     59.5621000              0.0662750        
 10     32.1072000              0.1011730        
 11     17.7103000              0.1824440        
 12      9.9062100              0.2264760        
 13      5.5224300             -0.4191550        
 14      3.0083200             -1.7434020        
 15      1.5987300              2.2743340        
 16      0.8308680              0.6841410        
 17      0.4135380             -2.8576890        
 18      0.1712140              2.5150700        
 19      0.0721220             -1.0349870        
P   1
  1      0.0301100              1.0000000        
P   1
  1      8.8318000              1.0000000        
P   1
  1      2.6917000              1.0000000        
P   1
  1      0.0125700              1.0000000        
D   11
  1    449.7850000              0.0001690        
  2    132.7510000              0.0015380        
  3     50.9528000              0.0083670        
  4     22.1594000              0.0303140        
  5     10.2612000              0.0828020        
  6      4.9780300              0.1723770        
  7      2.4573000              0.2608660        
  8      1.2010100              0.3011350        
  9      0.5725160              0.2713710        
 10      0.2625960              0.1780740        
 11      0.1141400              0.0677740        
D   11
  1    449.7850000             -0.0001730        
  2    132.7510000             -0.0015710        
  3     50.9528000             -0.0085770        
  4     22.1594000             -0.0312520        
  5     10.2612000             -0.0873880        
  6      4.9780300             -0.1828420        
  7      2.4573000             -0.2505620        
  8      1.2010100             -0.1725500        
  9      0.5725160              0.1183370        
 10      0.2625960              0.4199520        
 11      0.1141400              0.4092760        
D   11
  1    449.7850000             -0.0002730        
  2    132.7510000             -0.0024890        
  3     50.9528000             -0.0137240        
  4     22.1594000             -0.0506030        
  5     10.2612000             -0.1473270        
  6      4.9780300             -0.2974210        
  7      2.4573000             -0.2738540        
  8      1.2010100              0.1901550        
  9      0.5725160              0.6286420        
 10      0.2625960              0.1058660        
 11      0.1141400             -0.5751650        
D   11
  1    449.7850000             -0.0003450        
  2    132.7510000             -0.0031230        
  3     50.9528000             -0.0174550        
  4     22.1594000             -0.0644950        
  5     10.2612000             -0.2022090        
  6      4.9780300             -0.4044630        
  7      2.4573000             -0.0249760        
  8      1.2010100              0.9272090        
  9      0.5725160             -0.0725570        
 10      0.2625960             -0.9877520        
 11      0.1141400              0.4393010        
D   11
  1    449.7850000              0.0004430        
  2    132.7510000              0.0041250        
  3     50.9528000              0.0227360        
  4     22.1594000              0.0894400        
  5     10.2612000              0.3004590        
  6      4.9780300              0.4539710        
  7      2.4573000             -0.8298630        
  8      1.2010100             -0.5280360        
  9      0.5725160              1.6092210        
 10      0.2625960             -0.9535770        
 11      0.1141400             -0.3842430        
D   1
  1      0.0456420              1.0000000        
D   1
  1      5.9718000              1.0000000        
D   1
  1      3.5428000              1.0000000        
D   1
  1      0.0182500              1.0000000        
F   1
  1      9.4747000              1.0000000        
F   1
  1      4.1404000              1.0000000        
F   1
  1      1.8093000              1.0000000        
F   1
  1      0.7906000              1.0000000        
F   1
  1      0.2614000              1.0000000        
F   1
  1      0.0864300              1.0000000        
G   1
  1      6.4908000              1.0000000        
G   1
  1      3.1225000              1.0000000        
G   1
  1      1.5022000              1.0000000        
G   1
  1      0.5327000              1.0000000        
G   1
  1      0.1889000              1.0000000        
H   1
  1      6.0071000              1.0000000        
H   1
  1      2.7692000              1.0000000        
H   1
  1      1.0636000              1.0000000        
H   1
  1      0.4085100              1.0000000        
I   1
  1      6.0846000              1.0000000        
I   1
  1      2.5736000              1.0000000        
I   1
  1      1.0885500              1.0000000        


name: aug-cc-pwCV5Z-DK
description: V5ZPD All-electron Douglas-Kroll Core-Valence Quintuple Zeta + Polarization
elt: Fe
data:
IRON
S   27
  1      1.497690E+08           9.531119E-06     
  2      2.672250E+07           2.300510E-05     
  3      5.959000E+06           6.533733E-05     
  4      1.593610E+06           1.539246E-04     
  5      4.934640E+05           3.441447E-04     
  6      1.717900E+05           7.285032E-04     
  7      6.562090E+04           1.517001E-03     
  8      2.696560E+04           3.152876E-03     
  9      1.173530E+04           6.646998E-03     
 10      5.343430E+03           1.421791E-02     
 11      2.522500E+03           3.045407E-02     
 12      1.226430E+03           6.326536E-02     
 13      6.112690E+02           1.217368E-01     
 14      3.113080E+02           2.031899E-01     
 15      1.616240E+02           2.639911E-01     
 16      8.537670E+01           2.217772E-01     
 17      4.579110E+01           9.737963E-02     
 18      2.486770E+01           4.984019E-02     
 19      1.362020E+01           8.424513E-02     
 20      7.481060E+00           6.965248E-02     
 21      4.088170E+00           1.953405E-02     
 22      2.199050E+00           1.411159E-03     
 23      1.148150E+00          -3.351105E-05     
 24      5.772650E-01          -6.461351E-05     
 25      1.976350E-01          -5.426027E-07     
 26      1.089860E-01           9.196538E-06     
 27      5.321600E-02           8.539820E-06     
S   27
  1      1.497690E+08          -4.913763E-06     
  2      2.672250E+07          -1.186149E-05     
  3      5.959000E+06          -3.369390E-05     
  4      1.593610E+06          -7.940325E-05     
  5      4.934640E+05          -1.776260E-04     
  6      1.717900E+05          -3.763323E-04     
  7      6.562090E+04          -7.847577E-04     
  8      2.696560E+04          -1.634599E-03     
  9      1.173530E+04          -3.458929E-03     
 10      5.343430E+03          -7.445276E-03     
 11      2.522500E+03          -1.613255E-02     
 12      1.226430E+03          -3.424328E-02     
 13      6.112690E+02          -6.867767E-02     
 14      3.113080E+02          -1.241129E-01     
 15      1.616240E+02          -1.879234E-01     
 16      8.537670E+01          -2.035676E-01     
 17      4.579110E+01          -8.676264E-02     
 18      2.486770E+01           1.846239E-01     
 19      1.362020E+01           4.648402E-01     
 20      7.481060E+00           3.903679E-01     
 21      4.088170E+00           1.090655E-01     
 22      2.199050E+00           7.382610E-03     
 23      1.148150E+00          -1.537976E-03     
 24      5.772650E-01          -7.905751E-04     
 25      1.976350E-01          -6.577098E-05     
 26      1.089860E-01           8.549943E-05     
 27      5.321600E-02           3.097134E-05     
S   27
  1      1.497690E+08           1.145921E-06     
  2      2.672250E+07           2.766402E-06     
  3      5.959000E+06           7.859110E-06     
  4      1.593610E+06           1.852562E-05     
  5      4.934640E+05           4.145544E-05     
  6      1.717900E+05           8.789446E-05     
  7      6.562090E+04           1.834278E-04     
  8      2.696560E+04           3.827944E-04     
  9      1.173530E+04           8.117003E-04     
 10      5.343430E+03           1.756160E-03     
 11      2.522500E+03           3.832022E-03     
 12      1.226430E+03           8.263218E-03     
 13      6.112690E+02           1.700162E-02     
 14      3.113080E+02           3.230925E-02     
 15      1.616240E+02           5.300739E-02     
 16      8.537670E+01           6.470433E-02     
 17      4.579110E+01           2.828077E-02     
 18      2.486770E+01          -9.137907E-02     
 19      1.362020E+01          -2.999505E-01     
 20      7.481060E+00          -3.644776E-01     
 21      4.088170E+00          -1.915949E-02     
 22      2.199050E+00           4.570656E-01     
 23      1.148150E+00           5.657498E-01     
 24      5.772650E-01           2.232925E-01     
 25      1.976350E-01           1.356199E-02     
 26      1.089860E-01          -2.894495E-03     
 27      5.321600E-02           2.889479E-03     
S   27
  1      1.497690E+08          -2.499184E-07     
  2      2.672250E+07          -6.033367E-07     
  3      5.959000E+06          -1.714026E-06     
  4      1.593610E+06          -4.040379E-06     
  5      4.934640E+05          -9.041239E-06     
  6      1.717900E+05          -1.916995E-05     
  7      6.562090E+04          -4.000594E-05     
  8      2.696560E+04          -8.349108E-05     
  9      1.173530E+04          -1.770532E-04     
 10      5.343430E+03          -3.830627E-04     
 11      2.522500E+03          -8.361335E-04     
 12      1.226430E+03          -1.803028E-03     
 13      6.112690E+02          -3.713337E-03     
 14      3.113080E+02          -7.060540E-03     
 15      1.616240E+02          -1.161964E-02     
 16      8.537670E+01          -1.421996E-02     
 17      4.579110E+01          -6.293242E-03     
 18      2.486770E+01           2.055029E-02     
 19      1.362020E+01           6.959376E-02     
 20      7.481060E+00           8.869390E-02     
 21      4.088170E+00           4.909512E-04     
 22      2.199050E+00          -1.299238E-01     
 23      1.148150E+00          -2.097213E-01     
 24      5.772650E-01          -1.737261E-01     
 25      1.976350E-01           1.060750E-01     
 26      1.089860E-01           4.180125E-01     
 27      5.321600E-02           4.927516E-01     
S   27
  1      1.497690E+08          -5.057064E-07     
  2      2.672250E+07          -1.220404E-06     
  3      5.959000E+06          -3.469376E-06     
  4      1.593610E+06          -8.167834E-06     
  5      4.934640E+05          -1.832321E-05     
  6      1.717900E+05          -3.866489E-05     
  7      6.562090E+04          -8.138991E-05     
  8      2.696560E+04          -1.674412E-04     
  9      1.173530E+04          -3.628889E-04     
 10      5.343430E+03          -7.617575E-04     
 11      2.522500E+03          -1.728858E-03     
 12      1.226430E+03          -3.554612E-03     
 13      6.112690E+02          -7.758713E-03     
 14      3.113080E+02          -1.373763E-02     
 15      1.616240E+02          -2.493160E-02     
 16      8.537670E+01          -2.593594E-02     
 17      4.579110E+01          -1.941813E-02     
 18      2.486770E+01           5.554122E-02     
 19      1.362020E+01           1.214082E-01     
 20      7.481060E+00           2.442000E-01     
 21      4.088170E+00          -9.045983E-02     
 22      2.199050E+00          -2.628125E-01     
 23      1.148150E+00          -7.631501E-01     
 24      5.772650E-01           3.326928E-01     
 25      1.976350E-01           1.404621E+00     
 26      1.089860E-01          -4.692165E-02     
 27      5.321600E-02          -5.871979E-01     
S   27
  1      1.497690E+08          -8.093468E-07     
  2      2.672250E+07          -1.952950E-06     
  3      5.959000E+06          -5.553066E-06     
  4      1.593610E+06          -1.306815E-05     
  5      4.934640E+05          -2.934013E-05     
  6      1.717900E+05          -6.181847E-05     
  7      6.562090E+04          -1.304882E-04     
  8      2.696560E+04          -2.672449E-04     
  9      1.173530E+04          -5.831799E-04     
 10      5.343430E+03          -1.212784E-03     
 11      2.522500E+03          -2.786404E-03     
 12      1.226430E+03          -5.647232E-03     
 13      6.112690E+02          -1.255431E-02     
 14      3.113080E+02          -2.178032E-02     
 15      1.616240E+02          -4.077901E-02     
 16      8.537670E+01          -4.054708E-02     
 17      4.579110E+01          -3.465794E-02     
 18      2.486770E+01           9.685341E-02     
 19      1.362020E+01           2.002373E-01     
 20      7.481060E+00           4.769334E-01     
 21      4.088170E+00          -2.581863E-01     
 22      2.199050E+00          -9.230158E-01     
 23      1.148150E+00          -9.809175E-01     
 24      5.772650E-01           2.397220E+00     
 25      1.976350E-01           3.264145E-01     
 26      1.089860E-01          -2.193316E+00     
 27      5.321600E-02           3.872588E-01     
S   27
  1      1.497690E+08           1.009555E-06     
  2      2.672250E+07           2.438973E-06     
  3      5.959000E+06           6.919803E-06     
  4      1.593610E+06           1.635306E-05     
  5      4.934640E+05           3.641348E-05     
  6      1.717900E+05           7.794704E-05     
  7      6.562090E+04           1.599140E-04     
  8      2.696560E+04           3.433745E-04     
  9      1.173530E+04           6.974589E-04     
 10      5.343430E+03           1.602278E-03     
 11      2.522500E+03           3.239062E-03     
 12      1.226430E+03           7.683257E-03     
 13      6.112690E+02           1.414236E-02     
 14      3.113080E+02           3.109497E-02     
 15      1.616240E+02           4.257946E-02     
 16      8.537670E+01           7.133516E-02     
 17      4.579110E+01           2.183397E-03     
 18      2.486770E+01          -3.611419E-02     
 19      1.362020E+01          -4.667594E-01     
 20      7.481060E+00          -4.745196E-01     
 21      4.088170E+00           3.405478E-01     
 22      2.199050E+00           2.965055E+00     
 23      1.148150E+00          -3.124263E+00     
 24      5.772650E-01          -7.678803E-01     
 25      1.976350E-01           4.549504E+00     
 26      1.089860E-01          -3.555516E+00     
 27      5.321600E-02          -7.601738E-01     
S   27
  1      1.497690E+08          -1.171395E-06     
  2      2.672250E+07          -2.828050E-06     
  3      5.959000E+06          -8.033704E-06     
  4      1.593610E+06          -1.894135E-05     
  5      4.934640E+05          -4.237323E-05     
  6      1.717900E+05          -8.991028E-05     
  7      6.562090E+04          -1.874489E-04     
  8      2.696560E+04          -3.920043E-04     
  9      1.173530E+04          -8.294306E-04     
 10      5.343430E+03          -1.802024E-03     
 11      2.522500E+03          -3.921863E-03     
 12      1.226430E+03          -8.517307E-03     
 13      6.112690E+02          -1.752690E-02     
 14      3.113080E+02          -3.380397E-02     
 15      1.616240E+02          -5.606095E-02     
 16      8.537670E+01          -7.105126E-02     
 17      4.579110E+01          -3.324306E-02     
 18      2.486770E+01           1.098520E-01     
 19      1.362020E+01           4.989928E-01     
 20      7.481060E+00           1.180867E+00     
 21      4.088170E+00          -2.682314E+00     
 22      2.199050E+00          -1.995422E+00     
 23      1.148150E+00           8.024293E+00     
 24      5.772650E-01          -7.388690E+00     
 25      1.976350E-01           3.656810E+00     
 26      1.089860E-01           5.149325E-01     
 27      5.321600E-02          -3.554667E+00     
S   1
  1      2.557100E-02           1.0000000        
S   1
  1      6.622400E+00           1.0000000        
S   1
  1      2.214000E+00           1.0000000        
S   1
  1      0.0122900              1.0000000        
P   19
  1      8.694730E+04           2.100000E-05     
  2      2.125400E+04           6.500000E-05     
  3      6.741140E+03           2.530000E-04     
  4      2.557160E+03           8.630000E-04     
  5      1.093510E+03           2.880000E-03     
  6      5.061610E+02           8.871000E-03     
  7      2.471390E+02           2.510200E-02     
  8      1.254150E+02           6.332100E-02     
  9      6.565120E+01           1.358630E-01     
 10      3.530790E+01           2.327030E-01     
 11      1.942600E+01           3.046360E-01     
 12      1.084380E+01           2.687880E-01     
 13      6.043590E+00           1.273450E-01     
 14      3.302450E+00           2.283300E-02     
 15      1.763890E+00          -1.141000E-03     
 16      9.213860E-01          -2.029000E-03     
 17      4.603730E-01          -8.150000E-04     
 18      1.837720E-01          -5.400000E-05     
 19      7.583300E-02          -2.000000E-06     
P   19
  1      8.694730E+04          -7.000000E-06     
  2      2.125400E+04          -2.300000E-05     
  3      6.741140E+03          -8.900000E-05     
  4      2.557160E+03          -3.050000E-04     
  5      1.093510E+03          -1.021000E-03     
  6      5.061610E+02          -3.160000E-03     
  7      2.471390E+02          -9.040000E-03     
  8      1.254150E+02          -2.325300E-02     
  9      6.565120E+01          -5.143700E-02     
 10      3.530790E+01          -9.133900E-02     
 11      1.942600E+01          -1.258840E-01     
 12      1.084380E+01          -1.069500E-01     
 13      6.043590E+00           4.101900E-02     
 14      3.302450E+00           2.708820E-01     
 15      1.763890E+00           4.012450E-01     
 16      9.213860E-01           3.176300E-01     
 17      4.603730E-01           1.157220E-01     
 18      1.837720E-01           1.016500E-02     
 19      7.583300E-02          -1.700000E-04     
P   19
  1      8.694730E+04           1.000000E-06     
  2      2.125400E+04           5.000000E-06     
  3      6.741140E+03           1.800000E-05     
  4      2.557160E+03           6.200000E-05     
  5      1.093510E+03           2.060000E-04     
  6      5.061610E+02           6.410000E-04     
  7      2.471390E+02           1.823000E-03     
  8      1.254150E+02           4.724000E-03     
  9      6.565120E+01           1.040000E-02     
 10      3.530790E+01           1.867000E-02     
 11      1.942600E+01           2.558200E-02     
 12      1.084380E+01           2.223100E-02     
 13      6.043590E+00          -1.184000E-02     
 14      3.302450E+00          -6.396100E-02     
 15      1.763890E+00          -1.027460E-01     
 16      9.213860E-01          -8.752100E-02     
 17      4.603730E-01           1.970400E-02     
 18      1.837720E-01           3.183820E-01     
 19      7.583300E-02           5.417010E-01     
P   19
  1      8.694730E+04           2.000000E-06     
  2      2.125400E+04           8.000000E-06     
  3      6.741140E+03           3.000000E-05     
  4      2.557160E+03           1.010000E-04     
  5      1.093510E+03           3.450000E-04     
  6      5.061610E+02           1.044000E-03     
  7      2.471390E+02           3.062000E-03     
  8      1.254150E+02           7.685000E-03     
  9      6.565120E+01           1.753200E-02     
 10      3.530790E+01           3.016100E-02     
 11      1.942600E+01           4.422700E-02     
 12      1.084380E+01           3.394600E-02     
 13      6.043590E+00          -1.352500E-02     
 14      3.302450E+00          -1.194880E-01     
 15      1.763890E+00          -1.621650E-01     
 16      9.213860E-01          -1.665290E-01     
 17      4.603730E-01           1.323570E-01     
 18      1.837720E-01           6.424150E-01     
 19      7.583300E-02           3.670330E-01     
P   19
  1      8.694730E+04           5.000000E-06     
  2      2.125400E+04           1.600000E-05     
  3      6.741140E+03           6.400000E-05     
  4      2.557160E+03           2.050000E-04     
  5      1.093510E+03           7.420000E-04     
  6      5.061610E+02           2.112000E-03     
  7      2.471390E+02           6.608000E-03     
  8      1.254150E+02           1.552500E-02     
  9      6.565120E+01           3.812900E-02     
 10      3.530790E+01           5.988300E-02     
 11      1.942600E+01           1.016430E-01     
 12      1.084380E+01           6.563800E-02     
 13      6.043590E+00          -8.619000E-03     
 14      3.302450E+00          -3.943080E-01     
 15      1.763890E+00          -4.130690E-01     
 16      9.213860E-01           8.383000E-03     
 17      4.603730E-01           1.195480E+00     
 18      1.837720E-01          -8.571000E-02     
 19      7.583300E-02          -7.319400E-01     
P   19
  1      8.694730E+04           7.000000E-06     
  2      2.125400E+04           2.200000E-05     
  3      6.741140E+03           7.500000E-05     
  4      2.557160E+03           2.990000E-04     
  5      1.093510E+03           8.360000E-04     
  6      5.061610E+02           3.150000E-03     
  7      2.471390E+02           7.347000E-03     
  8      1.254150E+02           2.347700E-02     
  9      6.565120E+01           4.108700E-02     
 10      3.530790E+01           9.755200E-02     
 11      1.942600E+01           9.084200E-02     
 12      1.084380E+01           2.145040E-01     
 13      6.043590E+00          -2.163130E-01     
 14      3.302450E+00          -6.998590E-01     
 15      1.763890E+00          -5.724700E-01     
 16      9.213860E-01           2.128303E+00     
 17      4.603730E-01          -6.883840E-01     
 18      1.837720E-01          -1.235466E+00     
 19      7.583300E-02           1.097960E+00     
P   19
  1      8.694730E+04           9.000000E-06     
  2      2.125400E+04           2.900000E-05     
  3      6.741140E+03           1.090000E-04     
  4      2.557160E+03           3.970000E-04     
  5      1.093510E+03           1.230000E-03     
  6      5.061610E+02           4.171000E-03     
  7      2.471390E+02           1.095300E-02     
  8      1.254150E+02           3.129800E-02     
  9      6.565120E+01           6.292500E-02     
 10      3.530790E+01           1.287670E-01     
 11      1.942600E+01           1.531790E-01     
 12      1.084380E+01           3.717700E-01     
 13      6.043590E+00          -8.112890E-01     
 14      3.302450E+00          -1.554388E+00     
 15      1.763890E+00           2.844491E+00     
 16      9.213860E-01          -3.331810E-01     
 17      4.603730E-01          -2.070494E+00     
 18      1.837720E-01           2.197026E+00     
 19      7.583300E-02          -1.047747E+00     
P   1
  1      3.109900E-02           1.0000000        
P   1
  1      1.001280E+01           1.0000000        
P   1
  1      3.186900E+00           1.0000000        
P   1
  1      0.0127500              1.0000000        
D   11
  1      5.184160E+02           1.600000E-04     
  2      1.528190E+02           1.455000E-03     
  3      5.858690E+01           8.031000E-03     
  4      2.545640E+01           2.971400E-02     
  5      1.178680E+01           8.223200E-02     
  6      5.718610E+00           1.721170E-01     
  7      2.824170E+00           2.605020E-01     
  8      1.379850E+00           2.998410E-01     
  9      6.561600E-01           2.711060E-01     
 10      2.996090E-01           1.810280E-01     
 11      1.293610E-01           7.104300E-02     
D   11
  1      5.184160E+02          -1.770000E-04     
  2      1.528190E+02          -1.610000E-03     
  3      5.858690E+01          -8.916000E-03     
  4      2.545640E+01          -3.317100E-02     
  5      1.178680E+01          -9.400200E-02     
  6      5.718610E+00          -1.993290E-01     
  7      2.824170E+00          -2.718150E-01     
  8      1.379850E+00          -1.664290E-01     
  9      6.561600E-01           1.583620E-01     
 10      2.996090E-01           4.350360E-01     
 11      1.293610E-01           3.719440E-01     
D   11
  1      5.184160E+02          -2.540000E-04     
  2      1.528190E+02          -2.339000E-03     
  3      5.858690E+01          -1.299300E-02     
  4      2.545640E+01          -4.910900E-02     
  5      1.178680E+01          -1.441260E-01     
  6      5.718610E+00          -3.047430E-01     
  7      2.824170E+00          -2.717250E-01     
  8      1.379850E+00           2.521590E-01     
  9      6.561600E-01           6.338040E-01     
 10      2.996090E-01           1.322800E-02     
 11      1.293610E-01          -6.003050E-01     
D   11
  1      5.184160E+02          -3.410000E-04     
  2      1.528190E+02          -3.247000E-03     
  3      5.858690E+01          -1.768300E-02     
  4      2.545640E+01          -6.901000E-02     
  5      1.178680E+01          -2.130540E-01     
  6      5.718610E+00          -4.729490E-01     
  7      2.824170E+00           8.417800E-02     
  8      1.379850E+00           1.019310E+00     
  9      6.561600E-01          -3.538990E-01     
 10      2.996090E-01          -8.589280E-01     
 11      1.293610E-01           5.806560E-01     
D   11
  1      5.184160E+02          -4.710000E-04     
  2      1.528190E+02          -4.007000E-03     
  3      5.858690E+01          -2.411700E-02     
  4      2.545640E+01          -8.928600E-02     
  5      1.178680E+01          -3.436340E-01     
  6      5.718610E+00          -5.125270E-01     
  7      2.824170E+00           1.246333E+00     
  8      1.379850E+00          -2.830500E-02     
  9      6.561600E-01          -1.483245E+00     
 10      2.996090E-01           1.390922E+00     
 11      1.293610E-01          -1.698910E-01     
D   1
  1      5.115500E-02           1.0000000        
D   1
  1      7.098200E+00           1.0000000        
D   1
  1      4.277200E+00           1.0000000        
D   1
  1      0.0202300              1.0000000        
F   1
  1      1.104710E+01           1.0000000        
F   1
  1      4.854100E+00           1.0000000        
F   1
  1      2.132900E+00           1.0000000        
F   1
  1      9.372000E-01           1.0000000        
F   1
  1      3.141000E-01           1.0000000        
F   1
  1      0.1052700              1.0000000        
G   1
  1      7.547500E+00           1.0000000        
G   1
  1      3.673700E+00           1.0000000        
G   1
  1      1.788100E+00           1.0000000        
G   1
  1      6.564000E-01           1.0000000        
G   1
  1      0.2409600              1.0000000        
H   1
  1      6.926300E+00           1.0000000        
H   1
  1      3.252700E+00           1.0000000        
H   1
  1      1.296400E+00           1.0000000        
H   1
  1      0.5166900              1.0000000        
I   1
  1      7.056900E+00           1.0000000        
I   1
  1      1.3776500              1.0000000        


name: aug-cc-pwCV5Z-DK
description: V5ZPD All-electron Douglas-Kroll Core-Valence Quintuple Zeta + Polarization
elt: Co
data:
COBALT
S   27
  1      1.61030E+08            1.005831E-05     
  2      2.87558E+07            2.418419E-05     
  3      6.42324E+06            6.846343E-05     
  4      1.72120E+06            0.000160551      
  5 533994.0000000              0.0003573516     
  6 186194.0000000              0.0007524535     
  7  71201.7000000              0.001557729      
  8  29276.2000000              0.003215932      
  9  12742.3000000              0.006731782      
 10   5800.5100000              0.01430107       
 11   2736.9600000              0.03046694       
 12   1329.9900000              0.06307436       
 13    662.6110000              0.1211301        
 14    337.4150000              0.2019129        
 15    175.2340000              0.2621166        
 16     92.6434000              0.2203891        
 17     49.7576000              0.09741493       
 18     27.0728000              0.05139403       
 19     14.8610000              0.08720267       
 20      8.1812100              0.07201628       
 21      4.4794100              0.02033519       
 22      2.4119100              0.001482286      
 23      1.2584400             -3.935072E-05     
 24      0.6312340             -7.063343E-05     
 25      0.2152970             -3.872963E-07     
 26      0.1185100              5.656943E-06     
 27      0.0572090              5.765335E-06     
S   27
  1      1.61030E+08           -5.289415E-06     
  2      2.87558E+07           -1.271923E-05     
  3      6.42324E+06           -3.601347E-05     
  4      1.72120E+06           -8.448201E-05     
  5 533994.0000000             -0.0001881435     
  6 186194.0000000             -0.0003965136     
  7  71201.7000000             -0.0008220461     
  8  29276.2000000             -0.00170092       
  9  12742.3000000             -0.003573935      
 10   5800.5100000             -0.007640675      
 11   2736.9600000             -0.01646716       
 12   1329.9900000             -0.03483002       
 13    662.6110000             -0.06970371       
 14    337.4150000             -0.1257417        
 15    175.2340000             -0.1900435        
 16     92.6434000             -0.2055906        
 17     49.7576000             -0.08810301       
 18     27.0728000              0.1847425        
 19     14.8610000              0.4644587        
 20      8.1812100              0.3893510        
 21      4.4794100              0.1095439        
 22      2.4119100              0.00749383       
 23      1.2584400             -0.001499069      
 24      0.6312340             -0.0007921508     
 25      0.2152970             -6.025659E-05     
 26      0.1185100              6.137086E-05     
 27      0.0572090              1.596147E-05     
S   27
  1      1.61030E+08            1.229605E-06     
  2      2.87558E+07            2.957032E-06     
  3      6.42324E+06            8.373552E-06     
  4      1.72120E+06            1.964835E-05     
  5 533994.0000000              4.377266E-05     
  6 186194.0000000              9.232007E-05     
  7  71201.7000000              0.000191559      
  8  29276.2000000              0.0003971299     
  9  12742.3000000              0.0008362892     
 10   5800.5100000              0.001797242      
 11   2736.9600000              0.003901641      
 12   1329.9900000              0.008385303      
 13    662.6110000              0.01722495       
 14    337.4150000              0.03269722       
 15    175.2340000              0.05361657       
 16     92.6434000              0.06544278       
 17     49.7576000              0.02877317       
 18     27.0728000             -0.09285749       
 19     14.8610000             -0.3037701        
 20      8.1812100             -0.3649679        
 21      4.4794100             -0.01614853       
 22      2.4119100              0.4594886        
 23      1.2584400              0.5645161        
 24      0.6312340              0.2219477        
 25      0.2152970              0.01341422       
 26      0.1185100             -0.002819425      
 27      0.0572090              0.002850658      
S   27
  1      1.61030E+08           -2.623766E-07     
  2      2.87558E+07           -6.309811E-07     
  3      6.42324E+06           -1.786773E-06     
  4      1.72120E+06           -4.192681E-06     
  5 533994.0000000             -9.340377E-06     
  6 186194.0000000             -1.970036E-05     
  7  71201.7000000             -4.087664E-05     
  8  29276.2000000             -8.474813E-05     
  9  12742.3000000             -0.000178474      
 10   5800.5100000             -0.0003835678     
 11   2736.9600000             -0.0008329223     
 12   1329.9900000             -0.001790232      
 13    662.6110000             -0.003680833      
 14    337.4150000             -0.006991583      
 15    175.2340000             -0.0114996        
 16     92.6434000             -0.01407429       
 17     49.7576000             -0.006263082      
 18     27.0728000              0.02044358       
 19     14.8610000              0.06899805       
 20      8.1812100              0.08679416       
 21      4.4794100             -0.0002481641     
 22      2.4119100             -0.1278762        
 23      1.2584400             -0.2042779        
 24      0.6312340             -0.1679982        
 25      0.2152970              0.09731253       
 26      0.1185100              0.4059191        
 27      0.0572090              0.4984338        
S   27
  1      1.61030E+08           -5.219106E-07     
  2      2.87558E+07           -1.254702E-06     
  3      6.42324E+06           -3.555186E-06     
  4      1.72120E+06           -8.332619E-06     
  5 533994.0000000             -1.860578E-05     
  6 186194.0000000             -3.90719E-05      
  7  71201.7000000             -8.171241E-05     
  8  29276.2000000             -0.0001672056     
  9  12742.3000000             -0.0003592347     
 10   5800.5100000             -0.0007508135     
 11   2736.9600000             -0.001690506      
 12   1329.9900000             -0.003475677      
 13    662.6110000             -0.007545748      
 14    337.4150000             -0.01340552       
 15    175.2340000             -0.02418218       
 16     92.6434000             -0.0253850        
 17     49.7576000             -0.01864738       
 18     27.0728000              0.0535809        
 19     14.8610000              0.1194320        
 20      8.1812100              0.2332153        
 21      4.4794100             -0.08449372       
 22      2.4119100             -0.2635046        
 23      1.2584400             -0.7020055        
 24      0.6312340              0.2829039        
 25      0.2152970              1.2814760        
 26      0.1185100              0.08269332       
 27      0.0572090             -0.5151596        
S   27
  1      1.61030E+08           -8.836608E-07     
  2      2.87558E+07           -2.124067E-06     
  3      6.42324E+06           -6.020144E-06     
  4      1.72120E+06           -1.410295E-05     
  5 533994.0000000             -3.152172E-05     
  6 186194.0000000             -6.60715E-05      
  7  71201.7000000             -0.0001386482     
  8  29276.2000000             -0.0002821319     
  9  12742.3000000             -0.0006113458     
 10   5800.5100000             -0.001262795      
 11   2736.9600000             -0.002887387      
 12   1329.9900000             -0.005828135      
 13    662.6110000             -0.01295023       
 14    337.4150000             -0.02239885       
 15    175.2340000             -0.04203284       
 16     92.6434000             -0.04150388       
 17     49.7576000             -0.03625394       
 18     27.0728000              0.1006906        
 19     14.8610000              0.2013184        
 20      8.1812100              0.4996169        
 21      4.4794100             -0.2741211        
 22      2.4119100             -0.9585018        
 23      1.2584400             -0.9159533        
 24      0.6312340              2.3009600        
 25      0.2152970              0.4067037        
 26      0.1185100             -2.0722390        
 27      0.0572090              0.2039038        
S   27
  1      1.61030E+08            1.083962E-06     
  2      2.87558E+07            2.608069E-06     
  3      6.42324E+06            7.378921E-06     
  4      1.72120E+06            1.734385E-05     
  5 533994.0000000              3.851368E-05     
  6 186194.0000000              8.174321E-05     
  7  71201.7000000              0.0001677276     
  8  29276.2000000              0.0003543362     
  9  12742.3000000              0.0007253799     
 10   5800.5100000              0.001622418      
 11   2736.9600000              0.003348887      
 12   1329.9900000              0.007673761      
 13    662.6110000              0.01464827       
 14    337.4150000              0.03072353       
 15    175.2340000              0.0447970        
 16     92.6434000              0.06813346       
 17     49.7576000              0.01080639       
 18     27.0728000             -0.05323183       
 19     14.8610000             -0.4188921        
 20      8.1812100             -0.6190722        
 21      4.4794100              0.5395570        
 22      2.4119100              2.8852480        
 23      1.2584400             -3.2281870        
 24      0.6312340             -0.5981499        
 25      0.2152970              4.2621970        
 26      0.1185100             -3.1973340        
 27      0.0572090             -0.9026527        
S   27
  1      1.61030E+08            1.244828E-06     
  2      2.87558E+07            2.992113E-06     
  3      6.42324E+06            8.480955E-06     
  4      1.72120E+06            1.986664E-05     
  5 533994.0000000              4.44134E-05      
  6 186194.0000000              9.306556E-05     
  7  71201.7000000              0.0001954644     
  8  29276.2000000              0.0003972354     
  9  12742.3000000              0.0008630873     
 10   5800.5100000              0.001777112      
 11   2736.9600000              0.004087733      
 12   1329.9900000              0.008208135      
 13    662.6110000              0.01845557       
 14    337.4150000              0.0317399        
 15    175.2340000              0.06108727       
 16     92.6434000              0.05970255       
 17     49.7576000              0.05810058       
 18     27.0728000             -0.1582299        
 19     14.8610000             -0.3738525        
 20      8.1812100             -1.5325190        
 21      4.4794100              3.3585990        
 22      2.4119100              1.1755130        
 23      1.2584400             -7.4023150        
 24      0.6312340              7.1300430        
 25      0.2152970             -3.6484700        
 26      0.1185100             -0.3800983        
 27      0.0572090              3.3503540        
S   1
  1      0.0271660              1.0000000        
S   1
  1      7.3346000              1.0000000        
S   1
  1      2.6036000              1.0000000        
S   1
  1      0.0129000              1.0000000        
P   19
  1  97512.6000000              0.0000220        
  2  23815.1000000              0.0000660        
  3   7540.4300000              0.0002520        
  4   2854.0800000              0.0008480        
  5   1217.6900000              0.0028130        
  6    562.5150000              0.0086460        
  7    274.2740000              0.0244890        
  8    139.1140000              0.0618950        
  9     72.8598000              0.1332890        
 10     39.2448000              0.2296000        
 11     21.6430000              0.3028860        
 12     12.1149000              0.2711760        
 13      6.7691200              0.1320160        
 14      3.7052800              0.0248220        
 15      1.9790100             -0.0009360        
 16      1.0312700             -0.0020170        
 17      0.5136090             -0.0008300        
 18      0.2044820             -0.0000530        
 19      0.0838700             -0.0000020        
P   19
  1  97512.6000000             -0.0000080        
  2  23815.1000000             -0.0000230        
  3   7540.4300000             -0.0000900        
  4   2854.0800000             -0.0003030        
  5   1217.6900000             -0.0010070        
  6    562.5150000             -0.0031120        
  7    274.2740000             -0.0089090        
  8    139.1140000             -0.0229590        
  9     72.8598000             -0.0509740        
 10     39.2448000             -0.0910870        
 11     21.6430000             -0.1264160        
 12     12.1149000             -0.1093480        
 13      6.7691200              0.0360560        
 14      3.7052800              0.2668180        
 15      1.9790100              0.4018200        
 16      1.0312700              0.3216300        
 17      0.5136090              0.1188690        
 18      0.2044820              0.0106110        
 19      0.0838700             -0.0002040        
P   19
  1  97512.6000000              0.0000020        
  2  23815.1000000              0.0000050        
  3   7540.4300000              0.0000200        
  4   2854.0800000              0.0000660        
  5   1217.6900000              0.0002230        
  6    562.5150000              0.0006820        
  7    274.2740000              0.0019780        
  8    139.1140000              0.0050420        
  9     72.8598000              0.0113810        
 10     39.2448000              0.0200420        
 11     21.6430000              0.0287430        
 12     12.1149000              0.0236180        
 13      6.7691200             -0.0094800        
 14      3.7052800             -0.0734850        
 15      1.9790100             -0.1067580        
 16      1.0312700             -0.1068070        
 17      0.5136090              0.0419610        
 18      0.2044820              0.3566630        
 19      0.0838700              0.5236540        
P   19
  1  97512.6000000              0.0000030        
  2  23815.1000000              0.0000080        
  3   7540.4300000              0.0000320        
  4   2854.0800000              0.0001050        
  5   1217.6900000              0.0003580        
  6    562.5150000              0.0010780        
  7    274.2740000              0.0031740        
  8    139.1140000              0.0079580        
  9     72.8598000              0.0182850        
 10     39.2448000              0.0315250        
 11     21.6430000              0.0468610        
 12     12.1149000              0.0364210        
 13      6.7691200             -0.0118170        
 14      3.7052800             -0.1276830        
 15      1.9790100             -0.1731630        
 16      1.0312700             -0.1635510        
 17      0.5136090              0.1536860        
 18      0.2044820              0.6349130        
 19      0.0838700              0.3577730        
P   19
  1  97512.6000000              0.0000060        
  2  23815.1000000              0.0000170        
  3   7540.4300000              0.0000670        
  4   2854.0800000              0.0002110        
  5   1217.6900000              0.0007580        
  6    562.5150000              0.0021560        
  7    274.2740000              0.0067440        
  8    139.1140000              0.0158960        
  9     72.8598000              0.0391480        
 10     39.2448000              0.0618960        
 11     21.6430000              0.1055240        
 12     12.1149000              0.0714280        
 13      6.7691200             -0.0044130        
 14      3.7052800             -0.4223150        
 15      1.9790100             -0.4262330        
 16      1.0312700              0.0815560        
 17      0.5136090              1.1466020        
 18      0.2044820             -0.1112240        
 19      0.0838700             -0.7105390        
P   19
  1  97512.6000000              0.0000070        
  2  23815.1000000              0.0000220        
  3   7540.4300000              0.0000780        
  4   2854.0800000              0.0002990        
  5   1217.6900000              0.0008450        
  6    562.5150000              0.0031230        
  7    274.2740000              0.0074230        
  8    139.1140000              0.0233610        
  9     72.8598000              0.0418220        
 10     39.2448000              0.0975620        
 11     21.6430000              0.0946120        
 12     12.1149000              0.2204310        
 13      6.7691200             -0.2118190        
 14      3.7052800             -0.7588750        
 15      1.9790100             -0.4724910        
 16      1.0312700              2.0963660        
 17      0.5136090             -0.7589120        
 18      0.2044820             -1.1642940        
 19      0.0838700              1.0676890        
P   19
  1  97512.6000000              0.0000100        
  2  23815.1000000              0.0000310        
  3   7540.4300000              0.0001100        
  4   2854.0800000              0.0004180        
  5   1217.6900000              0.0011970        
  6    562.5150000              0.0043860        
  7    274.2740000              0.0105980        
  8    139.1140000              0.0331430        
  9     72.8598000              0.0606140        
 10     39.2448000              0.1404950        
 11     21.6430000              0.1393730        
 12     12.1149000              0.4499180        
 13      6.7691200             -0.9931010        
 14      3.7052800             -1.4130860        
 15      1.9790100              2.9290650        
 16      1.0312700             -0.6058880        
 17      0.5136090             -1.8335560        
 18      0.2044820              2.0771050        
 19      0.0838700             -0.9947610        
P   1
  1      0.0341020              1.0000000        
P   1
  1     11.2264000              1.0000000        
P   1
  1      3.6309000              1.0000000        
P   1
  1      0.0138700              1.0000000        
D   11
  1    545.1100000              0.0001810        
  2    160.5580000              0.0016350        
  3     61.6223000              0.0089410        
  4     26.8224000              0.0327080        
  5     12.4583000              0.0893220        
  6      6.0606600              0.1819660        
  7      2.9951700              0.2666540        
  8      1.4647770              0.2974140        
  9      0.6982420              0.2620050        
 10      0.3200570              0.1719960        
 11      0.1388040              0.0667780        
D   11
  1    545.1100000             -0.0002090        
  2    160.5580000             -0.0019030        
  3     61.6223000             -0.0104410        
  4     26.8224000             -0.0384790        
  5     12.4583000             -0.1079020        
  6      6.0606600             -0.2222780        
  7      2.9951700             -0.2817040        
  8      1.4647770             -0.1294980        
  9      0.6982420              0.2102160        
 10      0.3200570              0.4320100        
 11      0.1388040              0.3313770        
D   11
  1    545.1100000              0.0002770        
  2    160.5580000              0.0025550        
  3     61.6223000              0.0139620        
  4     26.8224000              0.0525040        
  5     12.4583000              0.1517350        
  6      6.0606600              0.3163190        
  7      2.9951700              0.2342970        
  8      1.4647770             -0.3302410        
  9      0.6982420             -0.5981010        
 10      0.3200570              0.0737630        
 11      0.1388040              0.5953900        
D   11
  1    545.1100000             -0.0003850        
  2    160.5580000             -0.0036800        
  3     61.6223000             -0.0196840        
  4     26.8224000             -0.0765810        
  5     12.4583000             -0.2355780        
  6      6.0606600             -0.5047020        
  7      2.9951700              0.2497730        
  8      1.4647770              0.9813720        
  9      0.6982420             -0.5418260        
 10      0.3200570             -0.7166120        
 11      0.1388040              0.6007770        
D   11
  1    545.1100000             -0.0005830        
  2    160.5580000             -0.0042550        
  3     61.6223000             -0.0289000        
  4     26.8224000             -0.0939660        
  5     12.4583000             -0.4172350        
  6      6.0606600             -0.4197820        
  7      2.9951700              1.4598530        
  8      1.4647770             -0.5170060        
  9      0.6982420             -1.1613150        
 10      0.3200570              1.4364000        
 11      0.1388040             -0.3666040        
D   1
  1      0.0550170              1.0000000        
D   1
  1      8.0293000              1.0000000        
D   1
  1      4.9005000              1.0000000        
D   1
  1      0.0218100              1.0000000        
F   1
  1     12.5542000              1.0000000        
F   1
  1      5.5551000              1.0000000        
F   1
  1      2.4581000              1.0000000        
F   1
  1      1.0877000              1.0000000        
F   1
  1      0.3686000              1.0000000        
F   1
  1      0.1249100              1.0000000        
G   1
  1      8.7355000              1.0000000        
G   1
  1      4.2811000              1.0000000        
G   1
  1      2.0981000              1.0000000        
G   1
  1      0.7828000              1.0000000        
G   1
  1      0.2920600              1.0000000        
H   1
  1      7.8788000              1.0000000        
H   1
  1      3.7437000              1.0000000        
H   1
  1      1.5288000              1.0000000        
H   1
  1      0.6243100              1.0000000        
I   1
  1      8.0114000              1.0000000        
I   1
  1      3.6607000              1.0000000        
I   1
  1      1.6727100              1.0000000        


name: aug-cc-pwCV5Z-DK
description: V5ZPD All-electron Douglas-Kroll Core-Valence Quintuple Zeta + Polarization
elt: Ni
data:
NICKEL
S   27
  1      1.68793E+08            1.11455E-05      
  2      3.01369E+07            2.674566E-05     
  3      6.73075E+06            7.560786E-05     
  4      1.80337E+06            0.0001769323     
  5 559438.0000000              0.0003929173     
  6 195064.0000000              0.0008248052     
  7  74600.7000000              0.001701009      
  8  30681.7000000              0.003494599      
  9  13360.3000000              0.007272797      
 10   6086.1600000              0.01535118       
 11   2874.6200000              0.03249089       
 12   1398.7200000              0.06684987       
 13    697.9810000              0.1276102        
 14    356.1100000              0.2114163        
 15    185.3460000              0.2728573        
 16     98.2221000              0.2286785        
 17     52.8834000              0.09942012       
 18     28.8424000              0.04031309       
 19     15.8664000              0.05927035       
 20      8.7493300              0.04712619       
 21      4.7948200              0.01288533       
 22      2.5812400              0.0008317535     
 23      1.3445000             -7.554855E-05     
 24      0.6723740             -6.85942E-05      
 25      0.2246400              1.366875E-07     
 26      0.1201920             -7.552748E-08     
 27      0.0581540              9.323819E-07     
S   27
  1      1.68793E+08           -5.043764E-06     
  2      3.01369E+07           -1.210492E-05     
  3      6.73075E+06           -3.422672E-05     
  4      1.80337E+06           -8.012597E-05     
  5 559438.0000000             -0.000178053      
  6 195064.0000000             -0.0003741491     
  7  74600.7000000             -0.0007729059     
  8  30681.7000000             -0.001591974      
  9  13360.3000000             -0.003327596      
 10   6086.1600000             -0.007074535      
 11   2874.6200000             -0.01517166       
 12   1398.7200000             -0.03197645       
 13    697.9810000             -0.06391677       
 14    356.1100000             -0.1155230        
 15    185.3460000             -0.1756848        
 16     98.2221000             -0.1910176        
 17     52.8834000             -0.07648369       
 18     28.8424000              0.1982116        
 19     15.8664000              0.4740300        
 20      8.7493300              0.3847731        
 21      4.7948200              0.1045997        
 22      2.5812400              0.006103306      
 23      1.3445000             -0.002299311      
 24      0.6723740             -0.001081425      
 25      0.2246400             -7.510386E-05     
 26      0.1201920              4.010015E-05     
 27      0.0581540             -1.281769E-05     
S   27
  1      1.68793E+08            1.330912E-06     
  2      3.01369E+07            3.194398E-06     
  3      6.73075E+06            9.033045E-06     
  4      1.80337E+06            2.115166E-05     
  5 559438.0000000              4.70163E-05      
  6 195064.0000000              9.886182E-05     
  7  74600.7000000              0.0002043699     
  8  30681.7000000              0.0004216639     
  9  13360.3000000              0.0008829815     
 10   6086.1600000              0.001885769      
 11   2874.6200000              0.004068372      
 12   1398.7200000              0.00869209       
 13    697.9810000              0.01775274       
 14    356.1100000              0.0334876        
 15    185.3460000              0.05445887       
 16     98.2221000              0.06548033       
 17     52.8834000              0.02662443       
 18     28.8424000             -0.09916549       
 19     15.8664000             -0.3121481        
 20      8.7493300             -0.3590690        
 21      4.7948200              0.002604259      
 22      2.5812400              0.4711867        
 23      1.3445000              0.5527499        
 24      0.6723740              0.2135531        
 25      0.2246400              0.01362464       
 26      0.1201920             -0.003080643      
 27      0.0581540              0.002927857      
S   27
  1      1.68793E+08           -2.819239E-07     
  2      3.01369E+07           -6.766625E-07     
  3      6.73075E+06           -1.913452E-06     
  4      1.80337E+06           -4.480559E-06     
  5 559438.0000000             -9.959456E-06     
  6 195064.0000000             -2.094236E-05     
  7  74600.7000000             -4.329337E-05     
  8  30681.7000000             -8.932529E-05     
  9  13360.3000000             -0.0001870752     
 10   6086.1600000             -0.0003995025     
 11   2874.6200000             -0.000862274      
 12   1398.7200000             -0.001842008      
 13    697.9810000             -0.003766607      
 14    356.1100000             -0.0071071        
 15    185.3460000             -0.01159882       
 16     98.2221000             -0.01397056       
 17     52.8834000             -0.005773919      
 18     28.8424000              0.02171281       
 19     15.8664000              0.07030194       
 20      8.7493300              0.08462533       
 21      4.7948200             -0.005047669      
 22      2.5812400             -0.1296901        
 23      1.3445000             -0.2012956        
 24      0.6723740             -0.1582789        
 25      0.2246400              0.1163200        
 26      0.1201920              0.4124561        
 27      0.0581540              0.4807054        
S   27
  1      1.68793E+08           -5.758226E-07     
  2      3.01369E+07           -1.38159E-06      
  3      6.73075E+06           -3.909269E-06     
  4      1.80337E+06           -9.14339E-06      
  5 559438.0000000             -2.037045E-05     
  6 195064.0000000             -4.264871E-05     
  7  74600.7000000             -8.886206E-05     
  8  30681.7000000             -0.0001809535     
  9  13360.3000000             -0.0003866838     
 10   6086.1600000             -0.0008027343     
 11   2874.6200000             -0.00179786       
 12   1398.7200000             -0.003669051      
 13    697.9810000             -0.007937377      
 14    356.1100000             -0.01396658       
 15    185.3460000             -0.02511315       
 16     98.2221000             -0.02566644       
 17     52.8834000             -0.01852144       
 18     28.8424000              0.05817027       
 19     15.8664000              0.1236915        
 20      8.7493300              0.2398630        
 21      4.7948200             -0.09725587       
 22      2.5812400             -0.2959249        
 23      1.3445000             -0.6959261        
 24      0.6723740              0.3665478        
 25      0.2246400              1.2213420        
 26      0.1201920              0.04730264       
 27      0.0581540             -0.4820361        
S   27
  1      1.68793E+08           -9.674943E-07     
  2      3.01369E+07           -2.321048E-06     
  3      6.73075E+06           -6.56906E-06      
  4      1.80337E+06           -1.535772E-05     
  5 559438.0000000             -3.424501E-05     
  6 195064.0000000             -7.158093E-05     
  7  74600.7000000             -0.0001495874     
  8  30681.7000000             -0.0003031282     
  9  13360.3000000             -0.0006526477     
 10   6086.1600000             -0.00134082       
 11   2874.6200000             -0.003044579      
 12   1398.7200000             -0.006111454      
 13    697.9810000             -0.01350153       
 14    356.1100000             -0.02318684       
 15    185.3460000             -0.04322462       
 16     98.2221000             -0.04171037       
 17     52.8834000             -0.03556996       
 18     28.8424000              0.1066222        
 19     15.8664000              0.2047607        
 20      8.7493300              0.5238749        
 21      4.7948200             -0.3124284        
 22      2.5812400             -1.0563740        
 23      1.3445000             -0.7333535        
 24      0.6723740              2.2736060        
 25      0.2246400              0.1293375        
 26      0.1201920             -1.8379900        
 27      0.0581540              0.2467702        
S   27
  1      1.68793E+08            1.219283E-06     
  2      3.01369E+07            2.927075E-06     
  3      6.73075E+06            8.274214E-06     
  4      1.80337E+06            1.938851E-05     
  5 559438.0000000              4.304164E-05     
  6 195064.0000000              9.073844E-05     
  7  74600.7000000              0.0001867539     
  8  30681.7000000              0.000388259      
  9  13360.3000000              0.0008041199     
 10   6086.1600000              0.001745217      
 11   2874.6200000              0.003693127      
 12   1398.7200000              0.008099889      
 13    697.9810000              0.01610158       
 14    356.1100000              0.03171001       
 15    185.3460000              0.04955722       
 16     98.2221000              0.06568098       
 17     52.8834000              0.02018518       
 18     28.8424000             -0.08281828       
 19     15.8664000             -0.3786365        
 20      8.7493300             -0.8691045        
 21      4.7948200              1.0440740        
 22      2.5812400              2.7351460        
 23      1.3445000             -3.8497350        
 24      0.6723740              0.2236010        
 25      0.2246400              3.6624860        
 26      0.1201920             -3.1322300        
 27      0.0581540             -0.5312799        
S   27
  1      1.68793E+08            1.322514E-06     
  2      3.01369E+07            3.170046E-06     
  3      6.73075E+06            8.985543E-06     
  4      1.80337E+06            2.094946E-05     
  5 559438.0000000              4.697022E-05     
  6 195064.0000000              9.71579E-05      
  7  74600.7000000              0.0002069702     
  8  30681.7000000              0.0004060092     
  9  13360.3000000              0.0009187785     
 10   6086.1600000              0.001758203      
 11   2874.6200000              0.00438095       
 12   1398.7200000              0.00782895       
 13    697.9810000              0.0199857        
 14    356.1100000              0.02869828       
 15    185.3460000              0.0684648        
 16     98.2221000              0.04130795       
 17     52.8834000              0.09157975       
 18     28.8424000             -0.2333703        
 19     15.8664000             -0.2092151        
 20      8.7493300             -2.0472240        
 21      4.7948200              4.7032490        
 22      2.5812400             -0.8023461        
 23      1.3445000             -5.9141560        
 24      0.6723740              6.7956740        
 25      0.2246400             -4.5843590        
 26      0.1201920              1.1645270        
 27      0.0581540              2.3855290        
S   1
  1      0.0277230              1.0000000        
S   1
  1      8.2138000              1.0000000        
S   1
  1      2.9486000              1.0000000        
S   1
  1      0.0132200              1.0000000        
P   19
  1 104158.0000000              0.0000240        
  2  25289.1000000              0.0000710        
  3   7974.0600000              0.0002700        
  4   3013.0100000              0.0009000        
  5   1286.4100000              0.0029550        
  6    595.8550000              0.0089790        
  7    291.6560000              0.0251730        
  8    148.5440000              0.0630870        
  9     78.0737000              0.1350930        
 10     42.1478000              0.2320840        
 11     23.2599000              0.3048650        
 12     13.0121000              0.2689810        
 13      7.2639900              0.1273410        
 14      3.9735700              0.0226490        
 15      2.1215600             -0.0014960        
 16      1.1051500             -0.0023130        
 17      0.5499500             -0.0009250        
 18      0.2109760             -0.0000590        
 19      0.0846800              0.0000020        
P   19
  1 104158.0000000             -0.0000080        
  2  25289.1000000             -0.0000250        
  3   7974.0600000             -0.0000960        
  4   3013.0100000             -0.0003220        
  5   1286.4100000             -0.0010610        
  6    595.8550000             -0.0032420        
  7    291.6560000             -0.0091870        
  8    148.5440000             -0.0234940        
  9     78.0737000             -0.0518810        
 10     42.1478000             -0.0925700        
 11     23.2599000             -0.1279250        
 12     13.0121000             -0.1071910        
 13      7.2639900              0.0450880        
 14      3.9735700              0.2753100        
 15      2.1215600              0.4006790        
 16      1.1051500              0.3121110        
 17      0.5499500              0.1165030        
 18      0.2109760              0.0109500        
 19      0.0846800             -0.0004560        
P   19
  1 104158.0000000              0.0000020        
  2  25289.1000000              0.0000050        
  3   7974.0600000              0.0000200        
  4   3013.0100000              0.0000650        
  5   1286.4100000              0.0002170        
  6    595.8550000              0.0006530        
  7    291.6560000              0.0018820        
  8    148.5440000              0.0047430        
  9     78.0737000              0.0106900        
 10     42.1478000              0.0187080        
 11     23.2599000              0.0268930        
 12     13.0121000              0.0209700        
 13      7.2639900             -0.0104270        
 14      3.9735700             -0.0696820        
 15      2.1215600             -0.0955950        
 16      1.1051500             -0.0977650        
 17      0.5499500              0.0389470        
 18      0.2109760              0.3452550        
 19      0.0846800              0.5265360        
P   19
  1 104158.0000000              0.0000040        
  2  25289.1000000              0.0000110        
  3   7974.0600000              0.0000410        
  4   3013.0100000              0.0001340        
  5   1286.4100000              0.0004580        
  6    595.8550000              0.0013370        
  7    291.6560000              0.0039890        
  8    148.5440000              0.0096870        
  9     78.0737000              0.0227420        
 10     42.1478000              0.0378790        
 11     23.2599000              0.0588910        
 12     13.0121000              0.0404660        
 13      7.2639900             -0.0143880        
 14      3.9735700             -0.1788770        
 15      2.1215600             -0.2026780        
 16      1.1051500             -0.1551100        
 17      0.5499500              0.2878760        
 18      0.2109760              0.6314600        
 19      0.0846800              0.2620860        
P   19
  1 104158.0000000              0.0000060        
  2  25289.1000000              0.0000190        
  3   7974.0600000              0.0000740        
  4   3013.0100000              0.0002340        
  5   1286.4100000              0.0008290        
  6    595.8550000              0.0023390        
  7    291.6560000              0.0072320        
  8    148.5440000              0.0169390        
  9     78.0737000              0.0414520        
 10     42.1478000              0.0655390        
 11     23.2599000              0.1111980        
 12     13.0121000              0.0751090        
 13      7.2639900             -0.0190020        
 14      3.9735700             -0.4847590        
 15      2.1215600             -0.4090310        
 16      1.1051500              0.2615810        
 17      0.5499500              1.0593320        
 18      0.2109760             -0.3141640        
 19      0.0846800             -0.6289690        
P   19
  1 104158.0000000              0.0000080        
  2  25289.1000000              0.0000250        
  3   7974.0600000              0.0000880        
  4   3013.0100000              0.0003320        
  5   1286.4100000              0.0009370        
  6    595.8550000              0.0034100        
  7    291.6560000              0.0080480        
  8    148.5440000              0.0251120        
  9     78.0737000              0.0448180        
 10     42.1478000              0.1038800        
 11     23.2599000              0.1028040        
 12     13.0121000              0.2396150        
 13      7.2639900             -0.2936930        
 14      3.9735700             -0.8582750        
 15      2.1215600             -0.1754300        
 16      1.1051500              2.1212470        
 17      0.5499500             -1.1875640        
 18      0.2109760             -0.8018700        
 19      0.0846800              1.0006810        
P   19
  1 104158.0000000              0.0000110        
  2  25289.1000000              0.0000360        
  3   7974.0600000              0.0001210        
  4   3013.0100000              0.0004810        
  5   1286.4100000              0.0012740        
  6    595.8550000              0.0049790        
  7    291.6560000              0.0109720        
  8    148.5440000              0.0371840        
  9     78.0737000              0.0613990        
 10     42.1478000              0.1591110        
 11     23.2599000              0.1374730        
 12     13.0121000              0.5368010        
 13      7.2639900             -1.4484750        
 14      3.9735700             -0.9215800        
 15      2.1215600              3.2225130        
 16      1.1051500             -1.6253210        
 17      0.5499500             -0.9546340        
 18      0.2109760              1.7502800        
 19      0.0846800             -1.0325020        
P   1
  1      0.0338250              1.0000000        
P   1
  1     12.4876000              1.0000000        
P   1
  1      4.0560000              1.0000000        
P   1
  1      0.0135100              1.0000000        
D   11
  1    606.3219000              0.0001750        
  2    178.0133000              0.0015890        
  3     68.1978800              0.0087470        
  4     29.6844500              0.0322300        
  5     13.8110200              0.0881300        
  6      6.7329400              0.1786790        
  7      3.3339400              0.2602620        
  8      1.6332300              0.2887410        
  9      0.7793770              0.2577120        
 10      0.3572790              0.1830620        
 11      0.1546890              0.0924910        
D   11
  1    606.3219000             -0.0001800        
  2    178.0133000             -0.0016390        
  3     68.1978800             -0.0090510        
  4     29.6844500             -0.0335490        
  5     13.8110200             -0.0938500        
  6      6.7329400             -0.1922910        
  7      3.3339400             -0.2488300        
  8      1.6332300             -0.1470970        
  9      0.7793770              0.1116550        
 10      0.3572790              0.3505420        
 11      0.1546890              0.4117870        
D   11
  1    606.3219000              0.0002520        
  2    178.0133000              0.0023260        
  3     68.1978800              0.0128210        
  4     29.6844500              0.0482080        
  5     13.8110200              0.1383100        
  6      6.7329400              0.2885600        
  7      3.3339400              0.2632470        
  8      1.6332300             -0.1857870        
  9      0.7793770             -0.5540290        
 10      0.3572790             -0.1971970        
 11      0.1546890              0.4546310        
D   11
  1    606.3219000             -0.0003460        
  2    178.0133000             -0.0033530        
  3     68.1978800             -0.0179140        
  4     29.6844500             -0.0703320        
  5     13.8110200             -0.2107640        
  6      6.7329400             -0.4608870        
  7      3.3339400              0.0843710        
  8      1.6332300              0.8568230        
  9      0.7793770             -0.0668550        
 10      0.3572790             -0.7883020        
 11      0.1546890              0.0988680        
D   11
  1    606.3219000              0.0004490        
  2    178.0133000              0.0038930        
  3     68.1978800              0.0229740        
  4     29.6844500              0.0841790        
  5     13.8110200              0.3161640        
  6      6.7329400              0.4971100        
  7      3.3339400             -1.0251380        
  8      1.6332300             -0.2645880        
  9      0.7793770              1.3547650        
 10      0.3572790             -0.6768780        
 11      0.1546890             -0.5849220        
D   1
  1      0.0610440              1.0000000        
D   1
  1      8.7417000              1.0000000        
D   1
  1      5.1900000              1.0000000        
D   1
  1      0.0240900              1.0000000        
F   1
  1     14.0323000              1.0000000        
F   1
  1      6.2546000              1.0000000        
F   1
  1      2.7879000              1.0000000        
F   1
  1      1.2426000              1.0000000        
F   1
  1      0.4261000              1.0000000        
F   1
  1      0.1461100              1.0000000        
G   1
  1     10.1227000              1.0000000        
G   1
  1      4.9792000              1.0000000        
G   1
  1      2.4492000              1.0000000        
G   1
  1      0.9247000              1.0000000        
G   1
  1      0.3491200              1.0000000        
H   1
  1      8.8642000              1.0000000        
H   1
  1      4.2443000              1.0000000        
H   1
  1      1.7637000              1.0000000        
H   1
  1      0.7329000              1.0000000        
I   1
  1      8.9517000              1.0000000        
I   1
  1      4.2210000              1.0000000        
I   1
  1      1.9903300              1.0000000        


name: aug-cc-pwCV5Z-DK
description: V5ZPD All-electron Douglas-Kroll Core-Valence Quintuple Zeta + Polarization
elt: Cu
data:
COPPER
S   27
  1      1.93188E+08            1.077111E-05     
  2      3.39452E+07            2.625955E-05     
  3      7.51046E+06            7.413449E-05     
  4      2.00199E+06            0.0001734629     
  5 619378.0000000              0.0003840298     
  6 215606.0000000              0.0008032141     
  7  82327.1000000              0.001649225      
  8  33788.4000000              0.003372931      
  9  14670.0000000              0.006989594      
 10   6657.4400000              0.01470704       
 11   3130.2600000              0.03109209       
 12   1515.6100000              0.06402318       
 13    752.5880000              0.1223119        
 14    382.2490000              0.2021016        
 15    198.2370000              0.2578689        
 16    104.8100000              0.2105213        
 17     56.3885000              0.09118179       
 18     30.7830000              0.05811314       
 19     16.9770000              0.09982583       
 20      9.3972500              0.07825785       
 21      5.1723800              0.02124379       
 22      2.7953500              0.001490741      
 23      1.4589000             -8.034167E-05     
 24      0.7287110             -8.694162E-05     
 25      0.2376420             -4.981296E-07     
 26      0.1278210             -2.831761E-07     
 27      0.0618150             -3.684816E-07     
S   27
  1      1.93188E+08           -6.055029E-06     
  2      3.39452E+07           -1.476355E-05     
  3      7.51046E+06           -4.168743E-05     
  4      2.00199E+06           -9.757587E-05     
  5 619378.0000000             -0.0002161504     
  6 215606.0000000             -0.0004525034     
  7  82327.1000000             -0.0009305228     
  8  33788.4000000             -0.00190745       
  9  14670.0000000             -0.003968234      
 10   6657.4400000             -0.008403249      
 11   3130.2600000             -0.0179753        
 12   1515.6100000             -0.03781603       
 13    752.5880000             -0.07530726       
 14    382.2490000             -0.1347303        
 15    198.2370000             -0.2004800        
 16    104.8100000             -0.2103662        
 17     56.3885000             -0.08099849       
 18     30.7830000              0.2019008        
 19     16.9770000              0.4684795        
 20      9.3972500              0.3716495        
 21      5.1723800              0.1005149        
 22      2.7953500              0.006557564      
 23      1.4589000             -0.001464478      
 24      0.7287110             -0.0007554723     
 25      0.2376420             -4.298019E-05     
 26      0.1278210              2.008032E-05     
 27      0.0618150             -1.28462E-05      
S   27
  1      1.93188E+08            1.365622E-06     
  2      3.39452E+07            3.330013E-06     
  3      7.51046E+06            9.404136E-06     
  4      2.00199E+06            2.201838E-05     
  5 619378.0000000              4.879563E-05     
  6 215606.0000000              0.0001022349     
  7  82327.1000000              0.0002104518     
  8  33788.4000000              0.0004322946     
  9  14670.0000000              0.0009017209     
 10   6657.4400000              0.001920162      
 11   3130.2600000              0.004141411      
 12   1515.6100000              0.008862935      
 13    752.5880000              0.01816551       
 14    382.2490000              0.03433784       
 15    198.2370000              0.05584286       
 16    104.8100000              0.06656064       
 17     56.3885000              0.02553591       
 18     30.7830000             -0.1053112        
 19     16.9770000             -0.3198780        
 20      9.3972500             -0.3556905        
 21      5.1723800              0.01130417       
 22      2.7953500              0.4740647        
 23      1.4589000              0.5533553        
 24      0.7287110              0.2082356        
 25      0.2376420              0.0116683        
 26      0.1278210             -0.002622343      
 27      0.0618150              0.002690526      
S   27
  1      1.93188E+08           -2.789768E-07     
  2      3.39452E+07           -6.802742E-07     
  3      7.51046E+06           -1.921131E-06     
  4      2.00199E+06           -4.498099E-06     
  5 619378.0000000             -9.968316E-06     
  6 215606.0000000             -2.088599E-05     
  7  82327.1000000             -4.299405E-05     
  8  33788.4000000             -8.831869E-05     
  9  14670.0000000             -0.0001842403     
 10   6657.4400000             -0.0003923213     
 11   3130.2600000             -0.0008464902     
 12   1515.6100000             -0.001811466      
 13    752.5880000             -0.003717044      
 14    382.2490000             -0.007029216      
 15    198.2370000             -0.01147243       
 16    104.8100000             -0.01370233       
 17     56.3885000             -0.005346494      
 18     30.7830000              0.02228982       
 19     16.9770000              0.06967914       
 20      9.3972500              0.0810406        
 21      5.1723800             -0.007157706      
 22      2.7953500             -0.1263160        
 23      1.4589000             -0.1946258        
 24      0.7287110             -0.1527500        
 25      0.2376420              0.1154243        
 26      0.1278210              0.3991441        
 27      0.0618150              0.4799799        
S   27
  1      1.93188E+08            5.256631E-07     
  2      3.39452E+07            1.281398E-06     
  3      7.51046E+06            3.620811E-06     
  4      2.00199E+06            8.468753E-06     
  5 619378.0000000              1.880668E-05     
  6 215606.0000000              3.924933E-05     
  7  82327.1000000              8.137567E-05     
  8  33788.4000000              0.000165174      
  9  14670.0000000              0.000350962      
 10   6657.4400000              0.0007282674     
 11   3130.2600000              0.001625411      
 12   1515.6100000              0.003335832      
 13    752.5880000              0.007208186      
 14    382.2490000              0.01278165       
 15    198.2370000              0.02283162       
 16    104.8100000              0.02334065       
 17     56.3885000              0.01595276       
 18     30.7830000             -0.05434073       
 19     16.9770000             -0.1136366        
 20      9.3972500             -0.2099786        
 21      5.1723800              0.09414343       
 22      2.7953500              0.2422684        
 23      1.4589000              0.6087557        
 24      0.7287110             -0.2343794        
 25      0.2376420             -1.1416750        
 26      0.1278210             -0.1782541        
 27      0.0618150              0.4035479        
S   27
  1      1.93188E+08           -1.018537E-06     
  2      3.39452E+07           -2.482537E-06     
  3      7.51046E+06           -7.016568E-06     
  4      2.00199E+06           -1.640376E-05     
  5 619378.0000000             -3.646087E-05     
  6 215606.0000000             -7.596561E-05     
  7  82327.1000000             -0.0001579847     
  8  33788.4000000             -0.0003190542     
  9  14670.0000000             -0.0006832399     
 10   6657.4400000             -0.001402533      
 11   3130.2600000             -0.003175317      
 12   1515.6100000             -0.006406116      
 13    752.5880000             -0.01414823       
 14    382.2490000             -0.02446125       
 15    198.2370000             -0.04539208       
 16    104.8100000             -0.04364678       
 17     56.3885000             -0.03593717       
 18     30.7830000              0.1158014        
 19     16.9770000              0.2189176        
 20      9.3972500              0.5339716        
 21      5.1723800             -0.3667391        
 22      2.7953500             -0.9950360        
 23      1.4589000             -0.7916657        
 24      0.7287110              2.2174050        
 25      0.2376420              0.2946674        
 26      0.1278210             -1.7996860        
 27      0.0618150              0.1028281        
S   27
  1      1.93188E+08            1.20746E-06      
  2      3.39452E+07            2.94561E-06      
  3      7.51046E+06            8.312365E-06     
  4      2.00199E+06            1.949021E-05     
  5 619378.0000000              4.307576E-05     
  6 215606.0000000              9.073116E-05     
  7  82327.1000000              0.0001850359     
  8  33788.4000000              0.0003861571     
  9  14670.0000000              0.0007865736     
 10   6657.4400000              0.001732797      
 11   3130.2600000              0.00358064       
 12   1515.6100000              0.008097814      
 13    752.5880000              0.01558648       
 14    382.2490000              0.03216552       
 15    198.2370000              0.04720413       
 16    104.8100000              0.06880884       
 17     56.3885000              0.008728479      
 18     30.7830000             -0.06368039       
 19     16.9770000             -0.4284988        
 20      9.3972500             -0.7491074        
 21      5.1723800              0.9663569        
 22      2.7953500              2.5473610        
 23      1.4589000             -3.3894080        
 24      0.7287110             -0.1558572        
 25      0.2376420              3.8360120        
 26      0.1278210             -3.0972150        
 27      0.0618150             -0.6882707        
S   27
  1      1.93188E+08            1.406211E-06     
  2      3.39452E+07            3.425372E-06     
  3      7.51046E+06            9.691645E-06     
  4      2.00199E+06            2.261509E-05     
  5 619378.0000000              5.045662E-05     
  6 215606.0000000              0.0001043775     
  7  82327.1000000              0.0002199608     
  8  33788.4000000              0.0004344424     
  9  14670.0000000              0.0009629595     
 10   6657.4400000              0.001882724      
 11   3130.2600000              0.004546442      
 12   1515.6100000              0.008470707      
 13    752.5880000              0.02070016       
 14    382.2490000              0.03167919       
 15    198.2370000              0.07012152       
 16    104.8100000              0.04923578       
 17     56.3885000              0.08273867       
 18     30.7830000             -0.2216691        
 19     16.9770000             -0.3170282        
 20      9.3972500             -1.9510380        
 21      5.1723800              4.7655350        
 22      2.7953500             -0.8952648        
 23      1.4589000             -5.7607260        
 24      0.7287110              6.4636960        
 25      0.2376420             -4.0960100        
 26      0.1278210              0.7479657        
 27      0.0618150              2.4905270        
S   1
  1      0.0293030              1.0000000        
S   1
  1      9.2493000              1.0000000        
S   1
  1      3.2876000              1.0000000        
S   1
  1      0.0138900              1.0000000        
P   19
  1 110294.0000000              0.0000260        
  2  26939.1000000              0.0000750        
  3   8550.7100000              0.0002810        
  4   3246.1900000              0.0009180        
  5   1388.4600000              0.0029920        
  6    642.4740000              0.0090870        
  7    313.5700000              0.0255820        
  8    159.1610000              0.0643480        
  9     83.4414000              0.1376450        
 10     45.0196000              0.2349520        
 11     24.8894000              0.3047840        
 12     13.9731000              0.2648080        
 13      7.8257100              0.1241960        
 14      4.2863200              0.0222350        
 15      2.2903400             -0.0009000        
 16      1.1934200             -0.0017820        
 17      0.5937650             -0.0006950        
 18      0.2244380             -0.0000370        
 19      0.0890540             -0.0000010        
P   19
  1 110294.0000000             -0.0000090        
  2  26939.1000000             -0.0000270        
  3   8550.7100000             -0.0001020        
  4   3246.1900000             -0.0003340        
  5   1388.4600000             -0.0010910        
  6    642.4740000             -0.0033330        
  7    313.5700000             -0.0094840        
  8    159.1610000             -0.0243520        
  9     83.4414000             -0.0537450        
 10     45.0196000             -0.0953630        
 11     24.8894000             -0.1301120        
 12     13.9731000             -0.1056390        
 13      7.8257100              0.0508120        
 14      4.2863200              0.2812260        
 15      2.2903400              0.4021990        
 16      1.1934200              0.3078070        
 17      0.5937650              0.1096300        
 18      0.2244380              0.0091710        
 19      0.0890540             -0.0004380        
P   19
  1 110294.0000000              0.0000020        
  2  26939.1000000              0.0000050        
  3   8550.7100000              0.0000200        
  4   3246.1900000              0.0000650        
  5   1388.4600000              0.0002140        
  6    642.4740000              0.0006440        
  7    313.5700000              0.0018640        
  8    159.1610000              0.0047140        
  9     83.4414000              0.0106300        
 10     45.0196000              0.0184760        
 11     24.8894000              0.0262980        
 12     13.9731000              0.0196530        
 13      7.8257100             -0.0111480        
 14      4.2863200             -0.0686400        
 15      2.2903400             -0.0915680        
 16      1.1934200             -0.0936840        
 17      0.5937650              0.0390660        
 18      0.2244380              0.3402200        
 19      0.0890540              0.5267450        
P   19
  1 110294.0000000              0.0000040        
  2  26939.1000000              0.0000100        
  3   8550.7100000              0.0000400        
  4   3246.1900000              0.0001260        
  5   1388.4600000              0.0004320        
  6    642.4740000              0.0012550        
  7    313.5700000              0.0037740        
  8    159.1610000              0.0091680        
  9     83.4414000              0.0216050        
 10     45.0196000              0.0355600        
 11     24.8894000              0.0552330        
 12     13.9731000              0.0354750        
 13      7.8257100             -0.0139680        
 14      4.2863200             -0.1677020        
 15      2.2903400             -0.1792800        
 16      1.1934200             -0.1598730        
 17      0.5937650              0.2578420        
 18      0.2244380              0.6467550        
 19      0.0890540              0.2746030        
P   19
  1 110294.0000000              0.0000070        
  2  26939.1000000              0.0000200        
  3   8550.7100000              0.0000790        
  4   3246.1900000              0.0002440        
  5   1388.4600000              0.0008600        
  6    642.4740000              0.0024180        
  7    313.5700000              0.0075320        
  8    159.1610000              0.0176530        
  9     83.4414000              0.0433520        
 10     45.0196000              0.0676910        
 11     24.8894000              0.1152020        
 12     13.9731000              0.0737700        
 13      7.8257100             -0.0230050        
 14      4.2863200             -0.5121360        
 15      2.2903400             -0.3816750        
 16      1.1934200              0.2588690        
 17      0.5937650              1.0576180        
 18      0.2244380             -0.3088970        
 19      0.0890540             -0.6050570        
P   19
  1 110294.0000000              0.0000090        
  2  26939.1000000              0.0000260        
  3   8550.7100000              0.0000900        
  4   3246.1900000              0.0003330        
  5   1388.4600000              0.0009350        
  6    642.4740000              0.0033830        
  7    313.5700000              0.0080790        
  8    159.1610000              0.0250980        
  9     83.4414000              0.0451110        
 10     45.0196000              0.1032270        
 11     24.8894000              0.1026140        
 12     13.9731000              0.2345540        
 13      7.8257100             -0.3024320        
 14      4.2863200             -0.8409990        
 15      2.2903400             -0.1611940        
 16      1.1934200              2.0920550        
 17      0.5937650             -1.1789640        
 18      0.2244380             -0.7973400        
 19      0.0890540              1.0105300        
P   19
  1 110294.0000000              0.0000120        
  2  26939.1000000              0.0000370        
  3   8550.7100000              0.0001290        
  4   3246.1900000              0.0004600        
  5   1388.4600000              0.0013520        
  6    642.4740000              0.0046720        
  7    313.5700000              0.0117990        
  8    159.1610000              0.0349680        
  9     83.4414000              0.0673370        
 10     45.0196000              0.1440250        
 11     24.8894000              0.1712510        
 12     13.9731000              0.4656640        
 13      7.8257100             -1.3932960        
 14      4.2863200             -0.8568460        
 15      2.2903400              3.0067100        
 16      1.1934200             -1.3521260        
 17      0.5937650             -1.1255820        
 18      0.2244380              1.8070530        
 19      0.0890540             -1.0605300        
P   1
  1      0.0351590              1.0000000        
P   1
  1     14.0287000              1.0000000        
P   1
  1      4.5543000              1.0000000        
P   1
  1      0.0138800              1.0000000        
D   11
  1    772.5680000              0.0001330        
  2    226.9250000              0.0012050        
  3     87.1443000              0.0067640        
  4     38.2132000              0.0258160        
  5     17.9612000              0.0729480        
  6      8.8561500              0.1564260        
  7      4.4634420              0.2437200        
  8      2.2373760              0.2867800        
  9      1.0986540              0.2689430        
 10      0.5225900              0.1994720        
 11      0.2368530              0.1028820        
D   11
  1    772.5680000             -0.0001650        
  2    226.9250000             -0.0014980        
  3     87.1443000             -0.0084440        
  4     38.2132000             -0.0324170        
  5     17.9612000             -0.0938520        
  6      8.8561500             -0.2065660        
  7      4.4634420             -0.2911760        
  8      2.2373760             -0.1807960        
  9      1.0986540              0.1358870        
 10      0.5225900              0.3842560        
 11      0.2368530              0.3645460        
D   11
  1    772.5680000              0.0001970        
  2    226.9250000              0.0018220        
  3     87.1443000              0.0102100        
  4     38.2132000              0.0398450        
  5     17.9612000              0.1178100        
  6      8.8561500              0.2756010        
  7      4.4634420              0.2897810        
  8      2.2373760             -0.1939950        
  9      1.0986540             -0.5830370        
 10      0.5225900             -0.1696990        
 11      0.2368530              0.5171400        
D   11
  1    772.5680000             -0.0002760        
  2    226.9250000             -0.0027780        
  3     87.1443000             -0.0146190        
  4     38.2132000             -0.0611040        
  5     17.9612000             -0.1818600        
  6      8.8561500             -0.4875970        
  7      4.4634420             -0.0267970        
  8      2.2373760              0.9955180        
  9      1.0986540             -0.0675450        
 10      0.5225900             -0.9273900        
 11      0.2368530              0.2357130        
D   11
  1    772.5680000              0.0003980        
  2    226.9250000              0.0033780        
  3     87.1443000              0.0206020        
  4     38.2132000              0.0767260        
  5     17.9612000              0.3059720        
  6      8.8561500              0.6264760        
  7      4.4634420             -1.1729970        
  8      2.2373760             -0.3053710        
  9      1.0986540              1.6280130        
 10      0.5225900             -0.9952610        
 11      0.2368530             -0.4062770        
D   1
  1      0.0988750              1.0000000        
D   1
  1     10.8911000              1.0000000        
D   1
  1      6.4090000              1.0000000        
D   1
  1      0.0412800              1.0000000        
F   1
  1     16.3865000              1.0000000        
F   1
  1      7.2710000              1.0000000        
F   1
  1      3.2263000              1.0000000        
F   1
  1      1.4316000              1.0000000        
F   1
  1      0.4948000              1.0000000        
F   1
  1      0.1710200              1.0000000        
G   1
  1     11.5271000              1.0000000        
G   1
  1      5.7073000              1.0000000        
G   1
  1      2.8258000              1.0000000        
G   1
  1      1.0876000              1.0000000        
G   1
  1      0.4186000              1.0000000        
H   1
  1     10.0259000              1.0000000        
H   1
  1      4.8506000              1.0000000        
H   1
  1      2.0678000              1.0000000        
H   1
  1      0.8815000              1.0000000        
I   1
  1     10.0254000              1.0000000        
I   1
  1      4.8998000              1.0000000        
I   1
  1      2.3947200              1.0000000        


