# all_value

name: cc-pVQZ-F12
description: correlation consistent F12 basis sets
elt: P
data:
PHOSPHOROUS
S   16
  1 4666000.0000000             0.0000020        
  2 698600.0000000              0.0000153        
  3 159000.0000000              0.0000805        
  4  45040.0000000              0.0003397        
  5  14720.0000000              0.0012329        
  6   5323.0000000              0.0040135        
  7   2076.0000000              0.0119124        
  8    861.1000000              0.0322511        
  9    375.7000000              0.0786643        
 10    170.8000000              0.1664580        
 11     80.2900000              0.2830390        
 12     38.7700000              0.3319420        
 13     18.9300000              0.2033520        
 14      8.7960000              0.0383183        
 15      4.3580000             -0.0003847        
 16      2.1740000              0.0015874        
S   16
  1 4666000.0000000            -0.0000005        
  2 698600.0000000             -0.0000042        
  3 159000.0000000             -0.0000218        
  4  45040.0000000             -0.0000923        
  5  14720.0000000             -0.0003351        
  6   5323.0000000             -0.0010951        
  7   2076.0000000             -0.0032680        
  8    861.1000000             -0.0089995        
  9    375.7000000             -0.0226528        
 10    170.8000000             -0.0514650        
 11     80.2900000             -0.1001860        
 12     38.7700000             -0.1550750        
 13     18.9300000             -0.1338180        
 14      8.7960000              0.0878361        
 15      4.3580000              0.4225810        
 16      2.1740000              0.4748990        
S   16
  1 4666000.0000000             0.0000001        
  2 698600.0000000              0.0000011        
  3 159000.0000000              0.0000060        
  4  45040.0000000              0.0000253        
  5  14720.0000000              0.0000922        
  6   5323.0000000              0.0003006        
  7   2076.0000000              0.0008999        
  8    861.1000000              0.0024735        
  9    375.7000000              0.0062681        
 10    170.8000000              0.0142598        
 11     80.2900000              0.0282769        
 12     38.7700000              0.0445124        
 13     18.9300000              0.0407217        
 14      8.7960000             -0.0301908        
 15      4.3580000             -0.1528940        
 16      2.1740000             -0.2824110        
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   7
  1   2010.0000000              0.0002159        
  2    476.3000000              0.0018754        
  3    154.4000000              0.0101742        
  4     58.5100000              0.0399856        
  5     24.4000000              0.1185630        
  6     10.8000000              0.2518160        
  7      4.9130000              0.3665650        
P   7
  1   2010.0000000             -0.0000511        
  2    476.3000000             -0.0004484        
  3    154.4000000             -0.0024234        
  4     58.5100000             -0.0096983        
  5     24.4000000             -0.0290965        
  6     10.8000000             -0.0641726        
  7      4.9130000             -0.0945071        
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      9.5221000              1.0000000        
D   1
  1      2.7994000              1.0000000        
D   1
  1      1.0799000              1.0000000        
D   1
  1      0.4166000              1.0000000        
D   1
  1      0.1607000              1.0000000        
F   1
  1      1.5054000              1.0000000        
F   1
  1      0.4902000              1.0000000        
F   1
  1      0.2026000              1.0000000        
G   1
  1      0.6431000              1.0000000        
G   1
  1      0.2573000              1.0000000        


name: cc-pVQZ-F12
description: correlation consistent F12 basis sets
elt: S
data:
SULFUR
S   16
  1 5481000.0000000             0.0000019        
  2 820600.0000000              0.0000147        
  3 186700.0000000              0.0000775        
  4  52880.0000000              0.0003272        
  5  17250.0000000              0.0011936        
  6   6226.0000000              0.0038839        
  7   2429.0000000              0.0115336        
  8   1007.0000000              0.0312748        
  9    439.5000000              0.0764387        
 10    199.8000000              0.1627000        
 11     93.9200000              0.2793280        
 12     45.3400000              0.3331450        
 13     22.1500000              0.2098360        
 14     10.3400000              0.0415974        
 15      5.1190000             -0.0004506        
 16      2.5530000              0.0016886        
S   16
  1 5481000.0000000            -0.0000005        
  2 820600.0000000             -0.0000041        
  3 186700.0000000             -0.0000214        
  4  52880.0000000             -0.0000905        
  5  17250.0000000             -0.0003301        
  6   6226.0000000             -0.0010778        
  7   2429.0000000             -0.0032187        
  8   1007.0000000             -0.0088722        
  9    439.5000000             -0.0223771        
 10    199.8000000             -0.0510577        
 11     93.9200000             -0.1002250        
 12     45.3400000             -0.1567950        
 13     22.1500000             -0.1397480        
 14     10.3400000              0.0810059        
 15      5.1190000              0.4308830        
 16      2.5530000              0.4816880        
S   16
  1 5481000.0000000             0.0000002        
  2 820600.0000000              0.0000012        
  3 186700.0000000              0.0000062        
  4  52880.0000000              0.0000262        
  5  17250.0000000              0.0000959        
  6   6226.0000000              0.0003127        
  7   2429.0000000              0.0009363        
  8   1007.0000000              0.0025779        
  9    439.5000000              0.0065412        
 10    199.8000000              0.0149630        
 11     93.9200000              0.0298940        
 12     45.3400000              0.0476946        
 13     22.1500000              0.0449556        
 14     10.3400000             -0.0293009        
 15      5.1190000             -0.1689160        
 16      2.5530000             -0.3110140        
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   7
  1   2200.0000000              0.0002390        
  2    521.4000000              0.0020769        
  3    169.0000000              0.0112363        
  4     64.0500000              0.0440690        
  5     26.7200000              0.1291680        
  6     11.8300000              0.2690830        
  7      5.3780000              0.3786110        
P   7
  1   2200.0000000             -0.0000609        
  2    521.4000000             -0.0005304        
  3    169.0000000             -0.0028792        
  4     64.0500000             -0.0114397        
  5     26.7200000             -0.0342764        
  6     11.8300000             -0.0735811        
  7      5.3780000             -0.1077820        
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     12.6050000              1.0000000        
D   1
  1      3.6852000              1.0000000        
D   1
  1      1.3715000              1.0000000        
D   1
  1      0.5104000              1.0000000        
D   1
  1      0.1900000              1.0000000        
F   1
  1      3.7749000              1.0000000        
F   1
  1      0.7091000              1.0000000        
F   1
  1      0.2737000              1.0000000        
G   1
  1      0.7756000              1.0000000        
G   1
  1      0.3116000              1.0000000        


name: cc-pVQZ-F12
description: correlation consistent F12 basis sets
elt: Cl
data:
CHLORINE
S   16
  1 6410000.0000000             0.0000018        
  2 959600.0000000              0.0000141        
  3 218300.0000000              0.0000742        
  4  61810.0000000              0.0003141        
  5  20140.0000000              0.0011464        
  6   7264.0000000              0.0037389        
  7   2832.0000000              0.0110946        
  8   1175.0000000              0.0301152        
  9    512.6000000              0.0739145        
 10    233.0000000              0.1582580        
 11    109.5000000              0.2747530        
 12     52.8600000              0.3340660        
 13     25.8400000              0.2175890        
 14     12.1700000              0.0457278        
 15      6.0300000             -0.0001347        
 16      3.0120000              0.0016393        
S   16
  1 6410000.0000000            -0.0000005        
  2 959600.0000000             -0.0000040        
  3 218300.0000000             -0.0000208        
  4  61810.0000000             -0.0000881        
  5  20140.0000000             -0.0003217        
  6   7264.0000000             -0.0010528        
  7   2832.0000000             -0.0031418        
  8   1175.0000000             -0.0086636        
  9    512.6000000             -0.0219353        
 10    233.0000000             -0.0502584        
 11    109.5000000             -0.0995414        
 12     52.8600000             -0.1576470        
 13     25.8400000             -0.1460240        
 14     12.1700000              0.0692230        
 15      6.0300000              0.4304120        
 16      3.0120000              0.4908020        
S   16
  1 6410000.0000000             0.0000002        
  2 959600.0000000              0.0000012        
  3 218300.0000000              0.0000063        
  4  61810.0000000              0.0000266        
  5  20140.0000000              0.0000974        
  6   7264.0000000              0.0003184        
  7   2832.0000000              0.0009524        
  8   1175.0000000              0.0026243        
  9    512.6000000              0.0066816        
 10    233.0000000              0.0153595        
 11    109.5000000              0.0309432        
 12     52.8600000              0.0500638        
 13     25.8400000              0.0489782        
 14     12.1700000             -0.0260807        
 15      6.0300000             -0.1784260        
 16      3.0120000             -0.3323240        
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   7
  1   2548.0000000              0.0002357        
  2    603.7000000              0.0020516        
  3    195.6000000              0.0111543        
  4     74.1500000              0.0439816        
  5     30.9400000              0.1299940        
  6     13.6900000              0.2729590        
  7      6.2290000              0.3836900        
P   7
  1   2548.0000000             -0.0000635        
  2    603.7000000             -0.0005533        
  3    195.6000000             -0.0030280        
  4     74.1500000             -0.0120650        
  5     30.9400000             -0.0366348        
  6     13.6900000             -0.0790764        
  7      6.2290000             -0.1174220        
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     15.3850000              1.0000000        
D   1
  1      4.2917000              1.0000000        
D   1
  1      1.5990000              1.0000000        
D   1
  1      0.5957000              1.0000000        
D   1
  1      0.2220000              1.0000000        
F   1
  1      4.6212000              1.0000000        
F   1
  1      0.8242000              1.0000000        
F   1
  1      0.3178000              1.0000000        
G   1
  1      0.8864000              1.0000000        
G   1
  1      0.3618000              1.0000000        


name: cc-pVQZ-F12
description: correlation consistent F12 basis sets
elt: Ar
data:
ARGON
S   16
  1 7401000.0000000             0.0000018        
  2 1108000.0000000             0.0000136        
  3 252100.0000000              0.0000716        
  4  71380.0000000              0.0003030        
  5  23260.0000000              0.0011061        
  6   8390.0000000              0.0036068        
  7   3271.0000000              0.0107134        
  8   1357.0000000              0.0291074        
  9    592.0000000              0.0716617        
 10    269.1000000              0.1541440        
 11    126.5000000              0.2704230        
 12     61.0300000              0.3348620        
 13     29.8600000              0.2243470        
 14     14.1700000              0.0500081        
 15      7.0220000              0.0001497        
 16      3.5110000              0.0021037        
S   16
  1 7401000.0000000            -0.0000005        
  2 1108000.0000000            -0.0000040        
  3 252100.0000000             -0.0000213        
  4  71380.0000000             -0.0000902        
  5  23260.0000000             -0.0003294        
  6   8390.0000000             -0.0010772        
  7   3271.0000000             -0.0032189        
  8   1357.0000000             -0.0088784        
  9    592.0000000             -0.0225545        
 10    269.1000000             -0.0518453        
 11    126.5000000             -0.1037220        
 12     61.0300000             -0.1665950        
 13     29.8600000             -0.1601650        
 14     14.1700000              0.0623654        
 15      7.0220000              0.4655340        
 16      3.5110000              0.5815640        
S   14
  1 252100.0000000              0.0000001        
  2  71380.0000000              0.0000004        
  3  23260.0000000              0.0000015        
  4   8390.0000000              0.0000046        
  5   3271.0000000              0.0000155        
  6   1357.0000000              0.0000407        
  7    592.0000000              0.0001313        
  8    269.1000000              0.0003327        
  9    126.5000000              0.0010667        
 10     61.0300000              0.0025721        
 11     29.8600000              0.0048358        
 12     14.1700000             -0.0038573        
 13      7.0220000             -0.0476125        
 14      3.5110000             -0.1829570        
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   7
  1   2927.0000000              0.0001883        
  2    693.5000000              0.0016429        
  3    224.7000000              0.0089489        
  4     85.1700000              0.0355111        
  5     35.5300000              0.1051470        
  6     15.7300000              0.2215520        
  7      7.1650000              0.3084120        
P   7
  1   2927.0000000             -0.0001502        
  2    693.5000000             -0.0013093        
  3    224.7000000             -0.0071650        
  4     85.1700000             -0.0285723        
  5     35.5300000             -0.0860158        
  6     15.7300000             -0.1839960        
  7      7.1650000             -0.2658440        
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     19.0250000              1.0000000        
D   1
  1      5.3638000              1.0000000        
D   1
  1      1.9687000              1.0000000        
D   1
  1      0.7226000              1.0000000        
D   1
  1      0.2652000              1.0000000        
F   1
  1      6.6618000              1.0000000        
F   1
  1      1.0543000              1.0000000        
F   1
  1      0.3893000              1.0000000        
G   1
  1      1.3268000              1.0000000        
G   1
  1      0.4771000              1.0000000        


name: cc-pVQZ-F12_OPTRI
description: CABS RI basis sets for F12 matched to cc-pVnZ-F12 orbital basis sets
elt: Li
data:
LITHIUM
S   1
  1      0.8451985              1.0000000        
S   1
  1      0.2488790              1.0000000        
S   1
  1      0.0646500              1.0000000        
S   1
  1      0.0301619              1.0000000        
P   1
  1      1.0857542              1.0000000        
P   1
  1      0.2297834              1.0000000        
P   1
  1      0.1095952              1.0000000        
P   1
  1      0.0443739              1.0000000        
D   1
  1      2.5069256              1.0000000        
D   1
  1      1.2189964              1.0000000        
D   1
  1      0.6375434              1.0000000        
D   1
  1      0.0694315              1.0000000        
F   1
  1      0.6821848              1.0000000        
F   1
  1      0.2698737              1.0000000        
F   1
  1      0.0543696              1.0000000        
G   1
  1      0.7895759              1.0000000        
G   1
  1      0.2548198              1.0000000        
H   1
  1      0.2146354              1.0000000        


name: cc-pVQZ-F12_OPTRI
description: CABS RI basis sets for F12 matched to cc-pVnZ-F12 orbital basis sets
elt: Be
data:
BERYLLIUM
S   1
  1      1.1538476              1.0000000        
S   1
  1      0.6789828              1.0000000        
S   1
  1      0.1464629              1.0000000        
S   1
  1      0.0759645              1.0000000        
P   1
  1      2.6789666              1.0000000        
P   1
  1      0.8663593              1.0000000        
P   1
  1      0.3320433              1.0000000        
P   1
  1      0.1371140              1.0000000        
D   1
  1      3.3831501              1.0000000        
D   1
  1      0.6313387              1.0000000        
D   1
  1      0.3584863              1.0000000        
D   1
  1      0.1529038              1.0000000        
F   1
  1      1.5661094              1.0000000        
F   1
  1      0.8580755              1.0000000        
F   1
  1      0.3125031              1.0000000        
G   1
  1      0.4468738              1.0000000        
G   1
  1      0.2180355              1.0000000        
H   1
  1      0.4737481              1.0000000        


name: cc-pVQZ-F12_OPTRI
description: CABS RI basis sets for F12 matched to cc-pVnZ-F12 orbital basis sets
elt: Na
data:
SODIUM
S   1
  1      0.9707935              1.0000000        
S   1
  1      0.2642263              1.0000000        
S   1
  1      0.0545049              1.0000000        
S   1
  1      0.0260137              1.0000000        
P   1
  1      0.9788400              1.0000000        
P   1
  1      0.4001723              1.0000000        
P   1
  1      0.1745833              1.0000000        
P   1
  1      0.0771366              1.0000000        
D   1
  1      6.8189293              1.0000000        
D   1
  1      1.1646110              1.0000000        
D   1
  1      0.7472029              1.0000000        
D   1
  1      0.1779187              1.0000000        
F   1
  1      0.7656361              1.0000000        
F   1
  1      0.2363150              1.0000000        
F   1
  1      0.1406358              1.0000000        
G   1
  1      0.2680699              1.0000000        
G   1
  1      0.2056775              1.0000000        
H   1
  1      0.0919160              1.0000000        


name: cc-pVQZ-F12_OPTRI
description: CABS RI basis sets for F12 matched to cc-pVnZ-F12 orbital basis sets
elt: Mg
data:
MAGNESIUM
S   1
  1      1.3130881              1.0000000        
S   1
  1      0.2607942              1.0000000        
S   1
  1      0.1002906              1.0000000        
S   1
  1      0.0487505              1.0000000        
P   1
  1      1.0245929              1.0000000        
P   1
  1      0.2322582              1.0000000        
P   1
  1      0.1218831              1.0000000        
P   1
  1      0.0629715              1.0000000        
D   1
  1      3.9988663              1.0000000        
D   1
  1      1.1973808              1.0000000        
D   1
  1      0.2727999              1.0000000        
D   1
  1      0.1527236              1.0000000        
F   1
  1      1.6372414              1.0000000        
F   1
  1      0.6931314              1.0000000        
F   1
  1      0.2326890              1.0000000        
G   1
  1      0.6677045              1.0000000        
G   1
  1      0.5124749              1.0000000        
H   1
  1      0.1189690              1.0000000        


name: cc-pVQZ-F12_OPTRI
description: CABS RI basis sets for F12 matched to cc-pVnZ-F12 orbital basis sets
elt: H
data:
HYDROGEN
S   1
  1      4.5036230              1.0000000        
S   1
  1      0.7095380              1.0000000        
S   1
  1      0.2728160              1.0000000        
P   1
  1      5.7379170              1.0000000        
P   1
  1      1.8673940              1.0000000        
P   1
  1      0.7057400              1.0000000        
D   1
  1      5.1560940              1.0000000        
D   1
  1      1.6726280              1.0000000        
D   1
  1      0.5278380              1.0000000        
F   1
  1      2.0776200              1.0000000        
F   1
  1      1.0394240              1.0000000        
G   1
  1      1.2607870              1.0000000        


name: cc-pVQZ-F12_OPTRI
description: CABS RI basis sets for F12 matched to cc-pVnZ-F12 orbital basis sets
elt: Li
data:
LITHIUM
S   1
  1      0.8451985              1.0000000        
S   1
  1      0.2488790              1.0000000        
S   1
  1      0.0646500              1.0000000        
S   1
  1      0.0301619              1.0000000        
P   1
  1      1.0857542              1.0000000        
P   1
  1      0.2297834              1.0000000        
P   1
  1      0.1095952              1.0000000        
P   1
  1      0.0443739              1.0000000        
D   1
  1      2.5069256              1.0000000        
D   1
  1      1.2189964              1.0000000        
D   1
  1      0.6375434              1.0000000        
D   1
  1      0.0694315              1.0000000        
F   1
  1      0.6821848              1.0000000        
F   1
  1      0.2698737              1.0000000        
F   1
  1      0.0543696              1.0000000        
G   1
  1      0.7895759              1.0000000        
G   1
  1      0.2548198              1.0000000        
H   1
  1      0.2146354              1.0000000        


name: cc-pVQZ-F12_OPTRI
description: CABS RI basis sets for F12 matched to cc-pVnZ-F12 orbital basis sets
elt: B
data:
BORON
S   1
  1      2.1105330              1.0000000        
S   1
  1      0.7420700              1.0000000        
S   1
  1      0.2667250              1.0000000        
S   1
  1      0.1103910              1.0000000        
P   1
  1      3.5058890              1.0000000        
P   1
  1      1.0799220              1.0000000        
P   1
  1      0.4429900              1.0000000        
P   1
  1      0.1889990              1.0000000        
D   1
  1      5.6166780              1.0000000        
D   1
  1      1.5613770              1.0000000        
D   1
  1      0.6389320              1.0000000        
D   1
  1      0.2331160              1.0000000        
F   1
  1      3.1584850              1.0000000        
F   1
  1      0.6454110              1.0000000        
F   1
  1      0.2440680              1.0000000        
G   1
  1      2.4757010              1.0000000        
G   1
  1      0.4977580              1.0000000        
H   1
  1      0.7913280              1.0000000        


name: cc-pVQZ-F12_OPTRI
description: CABS RI basis sets for F12 matched to cc-pVnZ-F12 orbital basis sets
elt: C
data:
CARBON
S   1
  1      2.6044130              1.0000000        
S   1
  1      1.0136440              1.0000000        
S   1
  1      0.3934150              1.0000000        
S   1
  1      0.1529870              1.0000000        
P   1
  1      4.2465330              1.0000000        
P   1
  1      1.8215290              1.0000000        
P   1
  1      0.7093800              1.0000000        
P   1
  1      0.2916430              1.0000000        
D   1
  1     12.1049290              1.0000000        
D   1
  1      2.1321890              1.0000000        
D   1
  1      0.8173330              1.0000000        
D   1
  1      0.3135240              1.0000000        
F   1
  1      3.4645270              1.0000000        
F   1
  1      0.9617580              1.0000000        
F   1
  1      0.3947360              1.0000000        
G   1
  1      2.8334410              1.0000000        
G   1
  1      0.7872860              1.0000000        
H   1
  1      1.2280910              1.0000000        


name: cc-pVQZ-F12_OPTRI
description: CABS RI basis sets for F12 matched to cc-pVnZ-F12 orbital basis sets
elt: N
data:
NITROGEN
S   1
  1      3.3139220              1.0000000        
S   1
  1      1.4661220              1.0000000        
S   1
  1      0.5297940              1.0000000        
S   1
  1      0.2117240              1.0000000        
P   1
  1      5.9904360              1.0000000        
P   1
  1      2.5058920              1.0000000        
P   1
  1      1.0027720              1.0000000        
P   1
  1      0.4035580              1.0000000        
D   1
  1     19.0372110              1.0000000        
D   1
  1      3.3077660              1.0000000        
D   1
  1      1.4401950              1.0000000        
D   1
  1      0.4498040              1.0000000        
F   1
  1      6.0179280              1.0000000        
F   1
  1      1.4729140              1.0000000        
F   1
  1      0.5958440              1.0000000        
G   1
  1      2.9062130              1.0000000        
G   1
  1      0.9342280              1.0000000        
H   1
  1      1.6475850              1.0000000        


name: cc-pVQZ-F12_OPTRI
description: CABS RI basis sets for F12 matched to cc-pVnZ-F12 orbital basis sets
elt: O
data:
OXYGEN
S   1
  1      4.1702850              1.0000000        
S   1
  1      1.8167550              1.0000000        
S   1
  1      0.6910500              1.0000000        
S   1
  1      0.2789730              1.0000000        
P   1
  1      8.0171350              1.0000000        
P   1
  1      3.5322650              1.0000000        
P   1
  1      1.3606270              1.0000000        
P   1
  1      0.5050090              1.0000000        
D   1
  1     37.7626240              1.0000000        
D   1
  1      4.7962490              1.0000000        
D   1
  1      1.5681060              1.0000000        
D   1
  1      0.5712930              1.0000000        
F   1
  1      9.1702390              1.0000000        
F   1
  1      1.9271970              1.0000000        
F   1
  1      0.7989380              1.0000000        
G   1
  1      3.4045330              1.0000000        
G   1
  1      1.0657570              1.0000000        
H   1
  1      2.1440060              1.0000000        


name: cc-pVQZ-F12_OPTRI
description: CABS RI basis sets for F12 matched to cc-pVnZ-F12 orbital basis sets
elt: F
data:
FLUORINE
S   1
  1      5.3056940              1.0000000        
S   1
  1      2.3637430              1.0000000        
S   1
  1      1.0742330              1.0000000        
S   1
  1      0.7925780              1.0000000        
P   1
  1     12.0196740              1.0000000        
P   1
  1      4.3287310              1.0000000        
P   1
  1      1.6621160              1.0000000        
P   1
  1      0.6261470              1.0000000        
D   1
  1     49.1089160              1.0000000        
D   1
  1      6.1698000              1.0000000        
D   1
  1      2.1530950              1.0000000        
D   1
  1      0.6374730              1.0000000        
F   1
  1     12.1619320              1.0000000        
F   1
  1      2.6304930              1.0000000        
F   1
  1      0.9778970              1.0000000        
G   1
  1      4.4554500              1.0000000        
G   1
  1      1.4145240              1.0000000        
H   1
  1      2.8076760              1.0000000        


name: cc-pVQZ-F12_OPTRI
description: CABS RI basis sets for F12 matched to cc-pVnZ-F12 orbital basis sets
elt: Ne
data:
NEON
S   1
  1      7.3610750              1.0000000        
S   1
  1      2.7051910              1.0000000        
S   1
  1      1.1862450              1.0000000        
S   1
  1      0.4304540              1.0000000        
P   1
  1     15.9188030              1.0000000        
P   1
  1      5.4169100              1.0000000        
P   1
  1      1.9905300              1.0000000        
P   1
  1      0.7848810              1.0000000        
D   1
  1     60.0312080              1.0000000        
D   1
  1      7.9633550              1.0000000        
D   1
  1      2.6879220              1.0000000        
D   1
  1      0.8258700              1.0000000        
F   1
  1     20.7009180              1.0000000        
F   1
  1      4.1220730              1.0000000        
F   1
  1      1.5224920              1.0000000        
G   1
  1     10.7594470              1.0000000        
G   1
  1      2.1651370              1.0000000        
H   1
  1      3.4504930              1.0000000        


name: cc-pVQZ-F12_OPTRI
description: CABS RI basis sets for F12 matched to cc-pVnZ-F12 orbital basis sets
elt: Mg
data:
MAGNESIUM
S   1
  1      1.3130881              1.0000000        
S   1
  1      0.2607942              1.0000000        
S   1
  1      0.1002906              1.0000000        
S   1
  1      0.0487505              1.0000000        
P   1
  1      1.0245929              1.0000000        
P   1
  1      0.2322582              1.0000000        
P   1
  1      0.1218831              1.0000000        
P   1
  1      0.0629715              1.0000000        
D   1
  1      3.9988663              1.0000000        
D   1
  1      1.1973808              1.0000000        
D   1
  1      0.2727999              1.0000000        
D   1
  1      0.1527236              1.0000000        
F   1
  1      1.6372414              1.0000000        
F   1
  1      0.6931314              1.0000000        
F   1
  1      0.2326890              1.0000000        
G   1
  1      0.6677045              1.0000000        
G   1
  1      0.5124749              1.0000000        
H   1
  1      0.1189690              1.0000000        


name: cc-pVQZ-F12_OPTRI
description: CABS RI basis sets for F12 matched to cc-pVnZ-F12 orbital basis sets
elt: Al
data:
ALUMINUM
S   1
  1      1.5831250              1.0000000        
S   1
  1      0.3647150              1.0000000        
S   1
  1      0.1640640              1.0000000        
S   1
  1      0.0731770              1.0000000        
P   1
  1      3.7438100              1.0000000        
P   1
  1      1.0978820              1.0000000        
P   1
  1      0.3877210              1.0000000        
P   1
  1      0.1462580              1.0000000        
D   1
  1      7.8212630              1.0000000        
D   1
  1      2.2148500              1.0000000        
D   1
  1      0.9161890              1.0000000        
D   1
  1      0.4006400              1.0000000        
F   1
  1      1.8328190              1.0000000        
F   1
  1      0.4317420              1.0000000        
F   1
  1      0.1860860              1.0000000        
G   1
  1      0.5636260              1.0000000        
G   1
  1      0.2514080              1.0000000        
H   1
  1      0.4259410              1.0000000        


name: cc-pVQZ-F12_OPTRI
description: CABS RI basis sets for F12 matched to cc-pVnZ-F12 orbital basis sets
elt: Si
data:
SILICON
S   1
  1      2.1372760              1.0000000        
S   1
  1      0.6118550              1.0000000        
S   1
  1      0.2255760              1.0000000        
S   1
  1      0.0981240              1.0000000        
P   1
  1      6.1969090              1.0000000        
P   1
  1      1.3561980              1.0000000        
P   1
  1      0.5398480              1.0000000        
P   1
  1      0.2069780              1.0000000        
D   1
  1     12.8590800              1.0000000        
D   1
  1      3.1943340              1.0000000        
D   1
  1      1.1895930              1.0000000        
D   1
  1      0.4653410              1.0000000        
F   1
  1      4.1687840              1.0000000        
F   1
  1      0.7897380              1.0000000        
F   1
  1      0.2459470              1.0000000        
G   1
  1      0.8182670              1.0000000        
G   1
  1      0.3652660              1.0000000        
H   1
  1      0.5748240              1.0000000        


name: cc-pVQZ-F12_OPTRI
description: CABS RI basis sets for F12 matched to cc-pVnZ-F12 orbital basis sets
elt: P
data:
PHOSPHOROUS
S   1
  1      2.6534790              1.0000000        
S   1
  1      0.7265990              1.0000000        
S   1
  1      0.2912100              1.0000000        
S   1
  1      0.1265670              1.0000000        
P   1
  1      7.9649920              1.0000000        
P   1
  1      1.5394090              1.0000000        
P   1
  1      0.6456720              1.0000000        
P   1
  1      0.2648590              1.0000000        
D   1
  1     37.5488020              1.0000000        
D   1
  1      4.1936140              1.0000000        
D   1
  1      1.6822260              1.0000000        
D   1
  1      0.6245790              1.0000000        
F   1
  1      8.4731510              1.0000000        
F   1
  1      0.9963360              1.0000000        
F   1
  1      0.3054280              1.0000000        
G   1
  1      0.9593250              1.0000000        
G   1
  1      0.4289660              1.0000000        
H   1
  1      0.7461110              1.0000000        


name: cc-pVQZ-F12_OPTRI
description: CABS RI basis sets for F12 matched to cc-pVnZ-F12 orbital basis sets
elt: S
data:
SULFUR
S   1
  1      3.0754480              1.0000000        
S   1
  1      0.8160570              1.0000000        
S   1
  1      0.3626530              1.0000000        
S   1
  1      0.1551700              1.0000000        
P   1
  1     21.4374970              1.0000000        
P   1
  1      1.6650200              1.0000000        
P   1
  1      0.7309130              1.0000000        
P   1
  1      0.3119590              1.0000000        
D   1
  1     46.8738850              1.0000000        
D   1
  1      7.2576490              1.0000000        
D   1
  1      2.0552010              1.0000000        
D   1
  1      0.7638430              1.0000000        
F   1
  1     12.7589420              1.0000000        
F   1
  1      1.3950060              1.0000000        
F   1
  1      0.4100400              1.0000000        
G   1
  1      1.1580280              1.0000000        
G   1
  1      0.5190310              1.0000000        
H   1
  1      0.9044160              1.0000000        


name: cc-pVQZ-F12_OPTRI
description: CABS RI basis sets for F12 matched to cc-pVnZ-F12 orbital basis sets
elt: Cl
data:
CHLORINE
S   1
  1      3.6457060              1.0000000        
S   1
  1      0.9898040              1.0000000        
S   1
  1      0.4389440              1.0000000        
S   1
  1      0.1894230              1.0000000        
P   1
  1     20.8097850              1.0000000        
P   1
  1      1.9213790              1.0000000        
P   1
  1      0.8494330              1.0000000        
P   1
  1      0.3546840              1.0000000        
D   1
  1     66.0174190              1.0000000        
D   1
  1      6.4342110              1.0000000        
D   1
  1      2.4000630              1.0000000        
D   1
  1      0.8895510              1.0000000        
F   1
  1     13.9596550              1.0000000        
F   1
  1      1.6211210              1.0000000        
F   1
  1      0.4755200              1.0000000        
G   1
  1      1.3151680              1.0000000        
G   1
  1      0.5920030              1.0000000        
H   1
  1      1.0828430              1.0000000        


name: cc-pVQZ-F12_OPTRI
description: CABS RI basis sets for F12 matched to cc-pVnZ-F12 orbital basis sets
elt: Ar
data:
ARGON
S   1
  1      4.2449090              1.0000000        
S   1
  1      1.1640610              1.0000000        
S   1
  1      0.5202960              1.0000000        
S   1
  1      0.2234450              1.0000000        
P   1
  1     20.2510490              1.0000000        
P   1
  1      2.2142550              1.0000000        
P   1
  1      0.9791800              1.0000000        
P   1
  1      0.4371150              1.0000000        
D   1
  1     88.0208220              1.0000000        
D   1
  1      8.0383820              1.0000000        
D   1
  1      3.1563260              1.0000000        
D   1
  1      1.0702530              1.0000000        
F   1
  1     15.5953400              1.0000000        
F   1
  1      2.0335940              1.0000000        
F   1
  1      0.5825760              1.0000000        
G   1
  1      1.9845950              1.0000000        
G   1
  1      0.7534450              1.0000000        
H   1
  1      1.2565380              1.0000000        


name: cc-pVQZ-NR
description: QZ3P All-electron non-relativistic Valence Quadruple Zeta + Polarization
elt: Sc
data:
SCANDIUM
S   21
  1 8417909.0000000             1.981292E-06     
  2 1260312.0000000             1.540697E-05     
  3 286798.4000000              8.106065E-05     
  4  81234.6900000              0.0003423943     
  5  26503.1100000              0.00124699       
  6   9568.7010000              0.004056425      
  7   3732.4970000              0.01200596       
  8   1548.4220000              0.03235944       
  9    675.5420000              0.07819972       
 10    307.2522000              0.1617396        
 11    144.6672000              0.2618480        
 12     70.0438700              0.2748284        
 13     34.3225000              0.1419647        
 14     15.6122400              0.07046176       
 15      7.7437220              0.1288392        
 16      3.8442600              0.09269352       
 17      1.7197660              0.01229949       
 18      0.8325230             -0.0004588239     
 19      0.3855640              0.0001722703     
 20      0.0967000             -5.410745E-05     
 21      0.0477780              4.892875E-05     
S   21
  1 8417909.0000000            -1.147926E-06     
  2 1260312.0000000            -8.929259E-06     
  3 286798.4000000             -4.696382E-05     
  4  81234.6900000             -0.0001985315     
  5  26503.1100000             -0.0007230932     
  6   9568.7010000             -0.002358822      
  7   3732.4970000             -0.007008148      
  8   1548.4220000             -0.01912407       
  9    675.5420000             -0.04728922       
 10    307.2522000             -0.1032480        
 11    144.6672000             -0.1861960        
 12     70.0438700             -0.2480547        
 13     34.3225000             -0.1614781        
 14     15.6122400              0.1779183        
 15      7.7437220              0.5324076        
 16      3.8442600              0.3752830        
 17      1.7197660              0.05198123       
 18      0.8325230             -0.004029053      
 19      0.3855640              0.0003794092     
 20      0.0967000             -0.0004006692     
 21      0.0477780              0.0003219248     
S   21
  1 8417909.0000000             2.221960E-07     
  2 1260312.0000000             1.729799E-06     
  3 286798.4000000              9.088001E-06     
  4  81234.6900000              3.848622E-05     
  5  26503.1100000              0.0001399997     
  6   9568.7010000              0.0004585975     
  7   3732.4970000              0.001364588      
  8   1548.4220000              0.003773739      
  9    675.5420000              0.009493887      
 10    307.2522000              0.02174611       
 11    144.6672000              0.04228528       
 12     70.0438700              0.0654061        
 13     34.3225000              0.04759732       
 14     15.6122400             -0.0816033        
 15      7.7437220             -0.3283980        
 16      3.8442600             -0.3654561        
 17      1.7197660              0.2102218        
 18      0.8325230              0.6856793        
 19      0.3855640              0.3684308        
 20      0.0967000              0.02050798       
 21      0.0477780             -0.006410776      
S   21
  1 8417909.0000000            -5.350285E-08     
  2 1260312.0000000            -4.164419E-07     
  3 286798.4000000             -2.188499E-06     
  4  81234.6900000             -9.264628E-06     
  5  26503.1100000             -3.371711E-05     
  6   9568.7010000             -0.0001103886     
  7   3732.4970000             -0.0003287051     
  8   1548.4220000             -0.000908425      
  9    675.5420000             -0.002288204      
 10    307.2522000             -0.005238462      
 11    144.6672000             -0.01021547       
 12     70.0438700             -0.01581707       
 13     34.3225000             -0.01162945       
 14     15.6122400              0.02013432       
 15      7.7437220              0.08405086       
 16      3.8442600              0.0984825        
 17      1.7197660             -0.06838523       
 18      0.8325230             -0.2353627        
 19      0.3855640             -0.2776984        
 20      0.0967000              0.2987423        
 21      0.0477780              0.6193723        
S   21
  1 8417909.0000000            -9.140993E-08     
  2 1260312.0000000            -7.270775E-07     
  3 286798.4000000             -3.702449E-06     
  4  81234.6900000             -1.633468E-05     
  5  26503.1100000             -5.64236E-05      
  6   9568.7010000             -0.000196819      
  7   3732.4970000             -0.0005428811     
  8   1548.4220000             -0.001642692      
  9    675.5420000             -0.003709752      
 10    307.2522000             -0.009699229      
 11    144.6672000             -0.0158935        
 12     70.0438700             -0.03149937       
 13     34.3225000             -0.0115392        
 14     15.6122400              0.01426789       
 15      7.7437220              0.1977719        
 16      3.8442600              0.09493216       
 17      1.7197660              0.0267895        
 18      0.8325230             -0.9351082        
 19      0.3855640              0.1820725        
 20      0.0967000              2.0774230        
 21      0.0477780             -1.1139440        
S   21
  1 8417909.0000000            -1.445075E-07     
  2 1260312.0000000            -1.167681E-06     
  3 286798.4000000             -5.810201E-06     
  4  81234.6900000             -2.64162E-05      
  5  26503.1100000             -8.781407E-05     
  6   9568.7010000             -0.0003207912     
  7   3732.4970000             -0.000836375      
  8   1548.4220000             -0.00270364       
  9    675.5420000             -0.00563396       
 10    307.2522000             -0.01622651       
 11    144.6672000             -0.02336426       
 12     70.0438700             -0.05523292       
 13     34.3225000             -0.008807771      
 14     15.6122400             -0.0002060869     
 15      7.7437220              0.3882857        
 16      3.8442600              0.0974343        
 17      1.7197660              0.006858569      
 18      0.8325230             -2.3215700        
 19      0.3855640              2.6665800        
 20      0.0967000              0.1898281        
 21      0.0477780             -2.6840650        
S   21
  1 8417909.0000000            -1.607992E-07     
  2 1260312.0000000            -1.216461E-06     
  3 286798.4000000             -6.659894E-06     
  4  81234.6900000             -2.670499E-05     
  5  26503.1100000             -0.0001039947     
  6   9568.7010000             -0.0003133995     
  7   3732.4970000             -0.001029884      
  8   1548.4220000             -0.002530633      
  9    675.5420000             -0.007335917      
 10    307.2522000             -0.01414587       
 11    144.6672000             -0.03451496       
 12     70.0438700             -0.03859251       
 13     34.3225000             -0.05560506       
 14     15.6122400              0.1025062        
 15      7.7437220              0.2265527        
 16      3.8442600              0.6017289        
 17      1.7197660             -1.4029740        
 18      0.8325230             -0.8478364        
 19      0.3855640              3.0947890        
 20      0.0967000             -5.7927330        
 21      0.0477780              6.9441580        
S   1
  1      0.0223630              1.0000000        
P   17
  1  22640.9700000              0.0000120        
  2   5357.5450000              0.0001070        
  3   1740.3730000              0.0006250        
  4    666.6163000              0.0028300        
  5    283.6384000              0.0105300        
  6    129.7976000              0.0328810        
  7     62.6795600              0.0858840        
  8     31.5044100              0.1800300        
  9     16.2352500              0.2892240        
 10      8.5183240              0.3279100        
 11      4.5190050              0.2101980        
 12      2.3665910              0.0546800        
 13      1.2152350              0.0018530        
 14      0.6143480             -0.0014170        
 15      0.3007450             -0.0009530        
 16      0.1260040             -0.0000510        
 17      0.0548400             -0.0000210        
P   17
  1  22640.9700000             -0.0000040        
  2   5357.5450000             -0.0000350        
  3   1740.3730000             -0.0002050        
  4    666.6163000             -0.0009320        
  5    283.6384000             -0.0034840        
  6    129.7976000             -0.0110190        
  7     62.6795600             -0.0294150        
  8     31.5044100             -0.0637130        
  9     16.2352500             -0.1060850        
 10      8.5183240             -0.1286380        
 11      4.5190050             -0.0530120        
 12      2.3665910              0.1740260        
 13      1.2152350              0.3925500        
 14      0.6143480              0.3965140        
 15      0.3007450              0.1765440        
 16      0.1260040              0.0191110        
 17      0.0548400              0.0000750        
P   17
  1  22640.9700000              0.0000010        
  2   5357.5450000              0.0000090        
  3   1740.3730000              0.0000500        
  4    666.6163000              0.0002270        
  5    283.6384000              0.0008530        
  6    129.7976000              0.0026860        
  7     62.6795600              0.0072250        
  8     31.5044100              0.0155900        
  9     16.2352500              0.0263030        
 10      8.5183240              0.0317770        
 11      4.5190050              0.0124830        
 12      2.3665910             -0.0526270        
 13      1.2152350             -0.1140250        
 14      0.6143480             -0.1463710        
 15      0.3007450             -0.0138630        
 16      0.1260040              0.3524440        
 17      0.0548400              0.5504540        
P   17
  1  22640.9700000              0.0000010        
  2   5357.5450000              0.0000100        
  3   1740.3730000              0.0000600        
  4    666.6163000              0.0002740        
  5    283.6384000              0.0010250        
  6    129.7976000              0.0032500        
  7     62.6795600              0.0086740        
  8     31.5044100              0.0188660        
  9     16.2352500              0.0314660        
 10      8.5183240              0.0386630        
 11      4.5190050              0.0149230        
 12      2.3665910             -0.0596700        
 13      1.2152350             -0.1347060        
 14      0.6143480             -0.1728090        
 15      0.3007450             -0.0806980        
 16      0.1260040              0.5542640        
 17      0.0548400              0.5500070        
P   17
  1  22640.9700000              0.0000020        
  2   5357.5450000              0.0000200        
  3   1740.3730000              0.0001280        
  4    666.6163000              0.0005340        
  5    283.6384000              0.0021640        
  6    129.7976000              0.0063070        
  7     62.6795600              0.0183770        
  8     31.5044100              0.0360160        
  9     16.2352500              0.0694300        
 10      8.5183240              0.0719490        
 11      4.5190050              0.0577890        
 12      2.3665910             -0.1752840        
 13      1.2152350             -0.3373290        
 14      0.6143480             -0.5644270        
 15      0.3007450              1.1633800        
 16      0.1260040              0.5658350        
 17      0.0548400             -0.9715060        
P   17
  1  22640.9700000             -0.0000020        
  2   5357.5450000             -0.0000290        
  3   1740.3730000             -0.0001300        
  4    666.6163000             -0.0007520        
  5    283.6384000             -0.0022120        
  6    129.7976000             -0.0088930        
  7     62.6795600             -0.0182620        
  8     31.5044100             -0.0530410        
  9     16.2352500             -0.0599390        
 10      8.5183240             -0.1556420        
 11      4.5190050              0.0095720        
 12      2.3665910              0.0918980        
 13      1.2152350              1.2567100        
 14      0.6143480             -1.0111150        
 15      0.3007450             -1.3688360        
 16      0.1260040              2.3777820        
 17      0.0548400             -1.1539840        
P   1
  1      0.0235570              1.0000000        
D   10
  1    145.4680000              0.0004940        
  2     43.4188000              0.0041980        
  3     16.5768000              0.0189670        
  4      6.9711100              0.0584080        
  5      3.1334700              0.1376050        
  6      1.4576800              0.2314700        
  7      0.6745380              0.2965300        
  8      0.3051620              0.3052000        
  9      0.1341130              0.2380750        
 10      0.0572700              0.1073860        
D   10
  1    145.4680000             -0.0005050        
  2     43.4188000             -0.0042930        
  3     16.5768000             -0.0194750        
  4      6.9711100             -0.0606310        
  5      3.1334700             -0.1436610        
  6      1.4576800             -0.2292940        
  7      0.6745380             -0.2619730        
  8      0.3051620             -0.0530060        
  9      0.1341130              0.4119990        
 10      0.0572700              0.4831900        
D   10
  1    145.4680000             -0.0006670        
  2     43.4188000             -0.0055930        
  3     16.5768000             -0.0259900        
  4      6.9711100             -0.0791400        
  5      3.1334700             -0.1936220        
  6      1.4576800             -0.2899810        
  7      0.6745380             -0.1702510        
  8      0.3051620              0.6126870        
  9      0.1341130              0.4817940        
 10      0.0572700             -0.6794480        
D   10
  1    145.4680000              0.0008360        
  2     43.4188000              0.0084950        
  3     16.5768000              0.0334810        
  4      6.9711100              0.1270110        
  5      3.1334700              0.2482810        
  6      1.4576800              0.4455630        
  7      0.6745380             -0.5406450        
  8      0.3051620             -0.8783940        
  9      0.1341130              1.4431180        
 10      0.0572700             -0.4690810        
D   1
  1      0.0233540              1.0000000        
F   1
  1      1.4167000              1.0000000        
F   1
  1      0.3992000              1.0000000        
F   1
  1      0.1125000              1.0000000        
G   1
  1      0.9963000              1.0000000        
G   1
  1      0.2573000              1.0000000        
H   1
  1      0.5016000              1.0000000        


name: cc-pVQZ-NR
description: QZ3P All-electron non-relativistic Valence Quadruple Zeta + Polarization
elt: Zn
data:
ZINC
S   21
  1      0.1785293E+08          2.106603E-06     
  2 2673038.0000000             1.638051E-05     
  3 608324.4000000              8.617178E-05     
  4 172317.6000000              0.0003640028     
  5  56222.6900000              0.001325778      
  6  20299.8500000              0.004315394      
  7   7918.8710000              0.01278917       
  8   3285.3400000              0.03459541       
  9   1433.5240000              0.08423468       
 10    652.2889000              0.1769497        
 11    307.4360000              0.2947718        
 12    149.1466000              0.3286054        
 13     73.4510800              0.1837326        
 14     33.9256200              0.0284564        
 15     17.1894700             -0.001562471      
 16      8.6665950              0.001057694      
 17      3.9725050             -0.0004832147     
 18      1.8946650              0.0001795943     
 19      0.8593850             -7.198366E-05     
 20      0.1952560              2.200105E-05     
 21      0.0858540             -1.56551E-05      
S   21
  1      0.1785293E+08         -6.503871E-07     
  2 2673038.0000000            -5.059606E-06     
  3 608324.4000000             -2.660362E-05     
  4 172317.6000000             -0.0001125168     
  5  56222.6900000             -0.0004098844     
  6  20299.8500000             -0.001340085      
  7   7918.8710000             -0.003996271      
  8   3285.3400000             -0.01102397       
  9   1433.5240000             -0.02783658       
 10    652.2889000             -0.0635220        
 11    307.4360000             -0.1235647        
 12    149.1466000             -0.1860330        
 13     73.4510800             -0.1345412        
 14     33.9256200              0.2026370        
 15     17.1894700              0.5627948        
 16      8.6665950              0.3687315        
 17      3.9725050              0.05055865       
 18      1.8946650             -0.00028561       
 19      0.8593850              0.001213965      
 20      0.1952560             -0.0001706895     
 21      0.0858540              0.0001266229     
S   21
  1      0.1785293E+08          2.455424E-07     
  2 2673038.0000000             1.911263E-06     
  3 608324.4000000              1.004137E-05     
  4 172317.6000000              4.25171E-05      
  5  56222.6900000              0.0001546957     
  6  20299.8500000              0.0005068054     
  7   7918.8710000              0.001509742      
  8   3285.3400000              0.004183744      
  9   1433.5240000              0.01058425       
 10    652.2889000              0.02447935       
 11    307.4360000              0.04837945       
 12    149.1466000              0.07630985       
 13     73.4510800              0.05798021       
 14     33.9256200             -0.1010517        
 15     17.1894700             -0.3950702        
 16      8.6665950             -0.3534286        
 17      3.9725050              0.3070109        
 18      1.8946650              0.6935144        
 19      0.8593850              0.3040583        
 20      0.1952560              0.01003318       
 21      0.0858540             -0.004007622      
S   21
  1      0.1785293E+08          4.916948E-08     
  2 2673038.0000000             3.829348E-07     
  3 608324.4000000              2.010287E-06     
  4 172317.6000000              8.520784E-06     
  5  56222.6900000              3.096268E-05     
  6  20299.8500000              0.000101604      
  7   7918.8710000              0.0003021322     
  8   3285.3400000              0.0008393851     
  9   1433.5240000              0.00211904       
 10    652.2889000              0.004923291      
 11    307.4360000              0.009713665      
 12    149.1466000              0.01549413       
 13     73.4510800              0.0117057        
 14     33.9256200             -0.02068558       
 15     17.1894700             -0.08652477       
 16      8.6665950             -0.07840824       
 17      3.9725050              0.07950591       
 18      1.8946650              0.2182560        
 19      0.8593850              0.1957366        
 20      0.1952560             -0.3195337        
 21      0.0858540             -0.5833695        
S   21
  1      0.1785293E+08         -1.379282E-07     
  2 2673038.0000000            -1.098688E-06     
  3 608324.4000000             -5.581627E-06     
  4 172317.6000000             -2.469757E-05     
  5  56222.6900000             -8.4997E-05       
  6  20299.8500000             -0.000297955      
  7   7918.8710000             -0.0008180999     
  8   3285.3400000             -0.002498043      
  9   1433.5240000             -0.005630866      
 10    652.2889000             -0.01501607       
 11    307.4360000             -0.02479935       
 12    149.1466000             -0.05092472       
 13     73.4510800             -0.01923797       
 14     33.9256200              0.0248084        
 15     17.1894700              0.3402582        
 16      8.6665950              0.1317501        
 17      3.9725050             -0.2092734        
 18      1.8946650             -1.2899700        
 19      0.8593850              0.9898685        
 20      0.1952560              1.4779600        
 21      0.0858540             -1.2347640        
S   21
  1      0.1785293E+08         -1.951222E-07     
  2 2673038.0000000            -1.513488E-06     
  3 608324.4000000             -7.991991E-06     
  4 172317.6000000             -3.361493E-05     
  5  56222.6900000             -0.0001233416     
  6  20299.8500000             -0.0004000292     
  7   7918.8710000             -0.001206705      
  8   3285.3400000             -0.003298144      
  9   1433.5240000             -0.008503531      
 10    652.2889000             -0.01932075       
 11    307.4360000             -0.0395118        
 12    149.1466000             -0.06074193       
 13     73.4510800             -0.05154698       
 14     33.9256200              0.0906352        
 15     17.1894700              0.3930253        
 16      8.6665950              0.5283548        
 17      3.9725050             -1.4626110        
 18      1.8946650             -0.8366769        
 19      0.8593850              2.6151680        
 20      0.1952560             -2.2413220        
 21      0.0858540              0.7597394        
S   21
  1      0.1785293E+08         -2.631275E-07     
  2 2673038.0000000            -1.954514E-06     
  3 608324.4000000             -1.098059E-05     
  4 172317.6000000             -4.252529E-05     
  5  56222.6900000             -0.0001728905     
  6  20299.8500000             -0.0004940605     
  7   7918.8710000             -0.001731281      
  8   3285.3400000             -0.003952778      
  9   1433.5240000             -0.01260194       
 10    652.2889000             -0.02205362       
 11    307.4360000             -0.06268701       
 12    149.1466000             -0.05878225       
 13     73.4510800             -0.1200370        
 14     33.9256200              0.2236128        
 15     17.1894700              0.4980742        
 16      8.6665950              1.1915800        
 17      3.9725050             -5.6490630        
 18      1.8946650              6.8434890        
 19      0.8593850             -3.3201000        
 20      0.1952560             -0.2249601        
 21      0.0858540              1.9021540        
S   1
  1      0.0367810              1.0000000        
P   17
  1  52867.9300000              0.0000110        
  2  12511.7900000              0.0000940        
  3   4065.2860000              0.0005510        
  4   1557.5950000              0.0025110        
  5    663.2892000              0.0094700        
  6    304.1561000              0.0301690        
  7    147.3680000              0.0808550        
  8     74.4546900              0.1751390        
  9     38.7149300              0.2897160        
 10     20.5702200              0.3298490        
 11     11.0542500              0.2092940        
 12      5.8746610              0.0562590        
 13      3.0529360              0.0050520        
 14      1.5472250              0.0009970        
 15      0.7541510              0.0001870        
 16      0.2653490              0.0000510        
 17      0.1020670             -0.0000130        
P   17
  1  52867.9300000             -0.0000040        
  2  12511.7900000             -0.0000350        
  3   4065.2860000             -0.0002060        
  4   1557.5950000             -0.0009420        
  5    663.2892000             -0.0035700        
  6    304.1561000             -0.0115400        
  7    147.3680000             -0.0316520        
  8     74.4546900             -0.0712850        
  9     38.7149300             -0.1232840        
 10     20.5702200             -0.1476380        
 11     11.0542500             -0.0444770        
 12      5.8746610              0.2053650        
 13      3.0529360              0.4100860        
 14      1.5472250              0.3721450        
 15      0.7541510              0.1581180        
 16      0.2653490              0.0145400        
 17      0.1020670             -0.0016080        
P   17
  1  52867.9300000              0.0000010        
  2  12511.7900000              0.0000060        
  3   4065.2860000              0.0000380        
  4   1557.5950000              0.0001730        
  5    663.2892000              0.0006640        
  6    304.1561000              0.0021200        
  7    147.3680000              0.0059160        
  8     74.4546900              0.0131530        
  9     38.7149300              0.0233720        
 10     20.5702200              0.0272210        
 11     11.0542500              0.0083340        
 12      5.8746610             -0.0488600        
 13      3.0529360             -0.0888940        
 14      1.5472250             -0.1036180        
 15      0.7541510              0.0010510        
 16      0.2653490              0.3030640        
 17      0.1020670              0.5427240        
P   17
  1  52867.9300000              0.0000010        
  2  12511.7900000              0.0000110        
  3   4065.2860000              0.0000670        
  4   1557.5950000              0.0002960        
  5    663.2892000              0.0011570        
  6    304.1561000              0.0036340        
  7    147.3680000              0.0103070        
  8     74.4546900              0.0224820        
  9     38.7149300              0.0410330        
 10     20.5702200              0.0464600        
 11     11.0542500              0.0181460        
 12      5.8746610             -0.0943640        
 13      3.0529360             -0.1601770        
 14      1.5472250             -0.1808950        
 15      0.7541510              0.0948260        
 16      0.2653490              0.6291530        
 17      0.1020670              0.4083180        
P   17
  1  52867.9300000              0.0000030        
  2  12511.7900000              0.0000240        
  3   4065.2860000              0.0001590        
  4   1557.5950000              0.0006460        
  5    663.2892000              0.0027470        
  6    304.1561000              0.0079380        
  7    147.3680000              0.0246010        
  8     74.4546900              0.0485760        
  9     38.7149300              0.1006820        
 10     20.5702200              0.0984680        
 11     11.0542500              0.0862350        
 12      5.8746610             -0.3793800        
 13      3.0529360             -0.4203930        
 14      1.5472250             -0.1825620        
 15      0.7541510              1.1778870        
 16      0.2653490              0.0519740        
 17      0.1020670             -0.7444770        
P   17
  1  52867.9300000             -0.0000030        
  2  12511.7900000             -0.0000360        
  3   4065.2860000             -0.0001740        
  4   1557.5950000             -0.0009530        
  5    663.2892000             -0.0030470        
  6    304.1561000             -0.0117360        
  7    147.3680000             -0.0270160        
  8     74.4546900             -0.0747980        
  9     38.7149300             -0.0982370        
 10     20.5702200             -0.2150840        
 11     11.0542500             -0.0322140        
 12      5.8746610              0.7563080        
 13      3.0529360              0.7019320        
 14      1.5472250             -1.8141870        
 15      0.7541510              0.2914540        
 16      0.2653490              1.2956230        
 17      0.1020670             -1.0670890        
P   1
  1      0.0387550              1.0000000        
D   10
  1    639.7806000              0.0002080        
  2    192.6742000              0.0019540        
  3     74.8436800              0.0107110        
  4     32.8604800              0.0390570        
  5     15.3935300              0.1048480        
  6      7.5255120              0.2045690        
  7      3.7154290              0.2852080        
  8      1.8064590              0.3014460        
  9      0.8529730              0.2462280        
 10      0.3847800              0.1390160        
D   10
  1    639.7806000             -0.0002900        
  2    192.6742000             -0.0027380        
  3     74.8436800             -0.0151110        
  4     32.8604800             -0.0556430        
  5     15.3935300             -0.1558640        
  6      7.5255120             -0.3034890        
  7      3.7154290             -0.3062760        
  8      1.8064590              0.0333950        
  9      0.8529730              0.4000750        
 10      0.3847800              0.3899720        
D   10
  1    639.7806000             -0.0003170        
  2    192.6742000             -0.0030560        
  3     74.8436800             -0.0167530        
  4     32.8604800             -0.0627120        
  5     15.3935300             -0.1879800        
  6      7.5255120             -0.3720840        
  7      3.7154290             -0.0234390        
  8      1.8064590              0.6054700        
  9      0.8529730              0.3230630        
 10      0.3847800             -0.4713720        
D   10
  1    639.7806000              0.0004520        
  2    192.6742000              0.0038790        
  3     74.8436800              0.0235700        
  4     32.8604800              0.0825260        
  5     15.3935300              0.2972800        
  6      7.5255120              0.4368320        
  7      3.7154290             -0.6042900        
  8      1.8064590             -0.6746050        
  9      0.8529730              0.9387020        
 10      0.3847800              0.2779680        
D   1
  1      0.1593370              1.0000000        
F   1
  1      8.6960000              1.0000000        
F   1
  1      2.7236000              1.0000000        
F   1
  1      0.8530000              1.0000000        
G   1
  1      6.8933000              1.0000000        
G   1
  1      2.0693000              1.0000000        
H   1
  1      4.4136000              1.0000000        


name: cc-pVQZ-NR MP2 Fitting
description: MP2 auxiliary basis for use with cc-pVQZ-NR AO basis set
elt: Sc
data:
SCANDIUM
S   1
  1    215.6790000              1.0000000        
S   1
  1    126.6830000              1.0000000        
S   1
  1     52.1795000              1.0000000        
S   1
  1     20.6449000              1.0000000        
S   1
  1      8.2952400              1.0000000        
S   1
  1      3.4988700              1.0000000        
S   1
  1      1.8986600              1.0000000        
S   1
  1      1.2271600              1.0000000        
S   1
  1      0.7584390              1.0000000        
S   1
  1      0.4723890              1.0000000        
S   1
  1      0.1692090              1.0000000        
S   1
  1      0.0909070              1.0000000        
S   1
  1      0.0509670              1.0000000        
P   1
  1    106.9170000              1.0000000        
P   1
  1     37.3716000              1.0000000        
P   1
  1     18.1065000              1.0000000        
P   1
  1      7.9133000              1.0000000        
P   1
  1      3.2428400              1.0000000        
P   1
  1      1.6726900              1.0000000        
P   1
  1      0.8150120              1.0000000        
P   1
  1      0.6079970              1.0000000        
P   1
  1      0.4283020              1.0000000        
P   1
  1      0.1788320              1.0000000        
P   1
  1      0.1023810              1.0000000        
P   1
  1      0.0526820              1.0000000        
D   1
  1     27.4621000              1.0000000        
D   1
  1      8.6024900              1.0000000        
D   1
  1      5.3722300              1.0000000        
D   1
  1      2.5792900              1.0000000        
D   1
  1      1.4992400              1.0000000        
D   1
  1      0.7743910              1.0000000        
D   1
  1      0.3675720              1.0000000        
D   1
  1      0.1859760              1.0000000        
D   1
  1      0.1049200              1.0000000        
D   1
  1      0.0527290              1.0000000        
F   1
  1     18.3645000              1.0000000        
F   1
  1      7.4498000              1.0000000        
F   1
  1      2.8649600              1.0000000        
F   1
  1      1.7096600              1.0000000        
F   1
  1      0.8508920              1.0000000        
F   1
  1      0.5235400              1.0000000        
F   1
  1      0.2536730              1.0000000        
F   1
  1      0.1508660              1.0000000        
F   1
  1      0.0726910              1.0000000        
G   1
  1     11.8669000              1.0000000        
G   1
  1      4.1832100              1.0000000        
G   1
  1      1.7499100              1.0000000        
G   1
  1      1.0134900              1.0000000        
G   1
  1      0.3030700              1.0000000        
G   1
  1      0.1762710              1.0000000        
G   1
  1      0.0874220              1.0000000        
H   1
  1      4.8975300              1.0000000        
H   1
  1      2.2325100              1.0000000        
H   1
  1      0.9895890              1.0000000        
H   1
  1      0.5648920              1.0000000        
H   1
  1      0.2532280              1.0000000        
I   1
  1      4.0664100              1.0000000        
I   1
  1      1.7037900              1.0000000        
I   1
  1      0.9028570              1.0000000        
I   1
  1      0.4455150              1.0000000        
K   1
  1      1.8807300              1.0000000        
K   1
  1      0.7995290              1.0000000        


name: cc-pVQZ-NR MP2 Fitting
description: MP2 auxiliary basis for use with cc-pVQZ-NR AO basis set
elt: Ti
data:
TITANIUM
S   1
  1    233.3170000              1.0000000        
S   1
  1    142.5390000              1.0000000        
S   1
  1     61.2313000              1.0000000        
S   1
  1     24.7638000              1.0000000        
S   1
  1      9.4744000              1.0000000        
S   1
  1      3.6212800              1.0000000        
S   1
  1      1.9132200              1.0000000        
S   1
  1      1.2305000              1.0000000        
S   1
  1      0.7594350              1.0000000        
S   1
  1      0.4941400              1.0000000        
S   1
  1      0.2120330              1.0000000        
S   1
  1      0.1114080              1.0000000        
S   1
  1      0.0546720              1.0000000        
P   1
  1    112.5550000              1.0000000        
P   1
  1     40.2767000              1.0000000        
P   1
  1     19.4593000              1.0000000        
P   1
  1      8.7684700              1.0000000        
P   1
  1      4.2470700              1.0000000        
P   1
  1      1.9789400              1.0000000        
P   1
  1      0.8349170              1.0000000        
P   1
  1      0.6422020              1.0000000        
P   1
  1      0.4705880              1.0000000        
P   1
  1      0.2135510              1.0000000        
P   1
  1      0.1166570              1.0000000        
P   1
  1      0.0560040              1.0000000        
D   1
  1     32.6615000              1.0000000        
D   1
  1     15.2374000              1.0000000        
D   1
  1      7.4239000              1.0000000        
D   1
  1      3.4226100              1.0000000        
D   1
  1      1.6203600              1.0000000        
D   1
  1      0.8022810              1.0000000        
D   1
  1      0.4245090              1.0000000        
D   1
  1      0.1993150              1.0000000        
D   1
  1      0.1314080              1.0000000        
D   1
  1      0.0621810              1.0000000        
F   1
  1     20.5465000              1.0000000        
F   1
  1      8.0235200              1.0000000        
F   1
  1      3.2050000              1.0000000        
F   1
  1      1.7818800              1.0000000        
F   1
  1      0.9793350              1.0000000        
F   1
  1      0.6264680              1.0000000        
F   1
  1      0.2745170              1.0000000        
F   1
  1      0.1600850              1.0000000        
F   1
  1      0.0842500              1.0000000        
G   1
  1     12.8787000              1.0000000        
G   1
  1      4.6652900              1.0000000        
G   1
  1      1.9560800              1.0000000        
G   1
  1      0.8952370              1.0000000        
G   1
  1      0.4687060              1.0000000        
G   1
  1      0.1982770              1.0000000        
G   1
  1      0.0973030              1.0000000        
H   1
  1      5.5184300              1.0000000        
H   1
  1      2.9459100              1.0000000        
H   1
  1      1.3936800              1.0000000        
H   1
  1      0.8961590              1.0000000        
H   1
  1      0.3410490              1.0000000        
I   1
  1      4.2342200              1.0000000        
I   1
  1      2.2185800              1.0000000        
I   1
  1      1.2471400              1.0000000        
I   1
  1      0.6153230              1.0000000        
K   1
  1      2.4941100              1.0000000        
K   1
  1      1.2426500              1.0000000        


name: cc-pVQZ-NR MP2 Fitting
description: MP2 auxiliary basis for use with cc-pVQZ-NR AO basis set
elt: V
data:
VANADIUM
S   1
  1    286.9330000              1.0000000        
S   1
  1    157.7470000              1.0000000        
S   1
  1     69.1582000              1.0000000        
S   1
  1     28.5322000              1.0000000        
S   1
  1     11.2122000              1.0000000        
S   1
  1      6.1921000              1.0000000        
S   1
  1      3.2433500              1.0000000        
S   1
  1      1.8842600              1.0000000        
S   1
  1      0.9050660              1.0000000        
S   1
  1      0.5435840              1.0000000        
S   1
  1      0.2235610              1.0000000        
S   1
  1      0.0890980              1.0000000        
S   1
  1      0.0642670              1.0000000        
P   1
  1    124.2770000              1.0000000        
P   1
  1     52.3316000              1.0000000        
P   1
  1     21.7522000              1.0000000        
P   1
  1      9.8330700              1.0000000        
P   1
  1      5.2952900              1.0000000        
P   1
  1      2.5703900              1.0000000        
P   1
  1      1.0170600              1.0000000        
P   1
  1      0.7864650              1.0000000        
P   1
  1      0.5750130              1.0000000        
P   1
  1      0.2175350              1.0000000        
P   1
  1      0.1171890              1.0000000        
P   1
  1      0.0626040              1.0000000        
D   1
  1     50.2711000              1.0000000        
D   1
  1     16.7760000              1.0000000        
D   1
  1      8.1791500              1.0000000        
D   1
  1      3.5273000              1.0000000        
D   1
  1      2.1111500              1.0000000        
D   1
  1      0.8968620              1.0000000        
D   1
  1      0.6762530              1.0000000        
D   1
  1      0.3021950              1.0000000        
D   1
  1      0.1580750              1.0000000        
D   1
  1      0.0794760              1.0000000        
F   1
  1     29.8687000              1.0000000        
F   1
  1      9.5644700              1.0000000        
F   1
  1      4.6538900              1.0000000        
F   1
  1      2.3923100              1.0000000        
F   1
  1      1.3970100              1.0000000        
F   1
  1      0.7892970              1.0000000        
F   1
  1      0.3940030              1.0000000        
F   1
  1      0.2468090              1.0000000        
F   1
  1      0.1265300              1.0000000        
G   1
  1     19.1913000              1.0000000        
G   1
  1      6.7624400              1.0000000        
G   1
  1      2.7651800              1.0000000        
G   1
  1      1.4981000              1.0000000        
G   1
  1      0.6838040              1.0000000        
G   1
  1      0.4421030              1.0000000        
G   1
  1      0.1504660              1.0000000        
H   1
  1      9.6107500              1.0000000        
H   1
  1      4.5797700              1.0000000        
H   1
  1      2.1908900              1.0000000        
H   1
  1      1.3395800              1.0000000        
H   1
  1      0.5421980              1.0000000        
I   1
  1      5.9493200              1.0000000        
I   1
  1      3.1740300              1.0000000        
I   1
  1      1.8053500              1.0000000        
I   1
  1      0.9253370              1.0000000        
K   1
  1      3.7783200              1.0000000        
K   1
  1      1.9297600              1.0000000        


name: cc-pVQZ-NR MP2 Fitting
description: MP2 auxiliary basis for use with cc-pVQZ-NR AO basis set
elt: Cr
data:
CHROMIUM
S   1
  1    328.8940000              1.0000000        
S   1
  1    165.7300000              1.0000000        
S   1
  1     75.1535000              1.0000000        
S   1
  1     31.5321000              1.0000000        
S   1
  1     13.1886000              1.0000000        
S   1
  1      7.0688800              1.0000000        
S   1
  1      3.7590700              1.0000000        
S   1
  1      1.9650100              1.0000000        
S   1
  1      0.8985760              1.0000000        
S   1
  1      0.5210470              1.0000000        
S   1
  1      0.2175680              1.0000000        
S   1
  1      0.0862130              1.0000000        
S   1
  1      0.0649180              1.0000000        
P   1
  1    139.3180000              1.0000000        
P   1
  1     58.4358000              1.0000000        
P   1
  1     25.8858000              1.0000000        
P   1
  1     11.7726000              1.0000000        
P   1
  1      6.5543500              1.0000000        
P   1
  1      3.3386300              1.0000000        
P   1
  1      1.1195300              1.0000000        
P   1
  1      0.7623470              1.0000000        
P   1
  1      0.5542060              1.0000000        
P   1
  1      0.2794210              1.0000000        
P   1
  1      0.1220900              1.0000000        
P   1
  1      0.0669280              1.0000000        
D   1
  1     86.2913000              1.0000000        
D   1
  1     18.4390000              1.0000000        
D   1
  1      9.1407200              1.0000000        
D   1
  1      3.6158800              1.0000000        
D   1
  1      2.4928200              1.0000000        
D   1
  1      0.9828200              1.0000000        
D   1
  1      0.7225860              1.0000000        
D   1
  1      0.3443910              1.0000000        
D   1
  1      0.1665210              1.0000000        
D   1
  1      0.0851030              1.0000000        
F   1
  1     41.5721000              1.0000000        
F   1
  1     11.7171000              1.0000000        
F   1
  1      5.6425200              1.0000000        
F   1
  1      2.5212500              1.0000000        
F   1
  1      1.6109700              1.0000000        
F   1
  1      0.7366710              1.0000000        
F   1
  1      0.4469730              1.0000000        
F   1
  1      0.2815540              1.0000000        
F   1
  1      0.1473640              1.0000000        
G   1
  1     25.9176000              1.0000000        
G   1
  1      8.5051800              1.0000000        
G   1
  1      3.3872800              1.0000000        
G   1
  1      1.6098800              1.0000000        
G   1
  1      0.8051420              1.0000000        
G   1
  1      0.3466380              1.0000000        
G   1
  1      0.1604490              1.0000000        
H   1
  1     14.4473000              1.0000000        
H   1
  1      6.1120300              1.0000000        
H   1
  1      2.5079600              1.0000000        
H   1
  1      1.5474600              1.0000000        
H   1
  1      0.6052380              1.0000000        
I   1
  1      7.2585700              1.0000000        
I   1
  1      3.7941700              1.0000000        
I   1
  1      1.8947300              1.0000000        
I   1
  1      1.0240500              1.0000000        
K   1
  1      4.4406500              1.0000000        
K   1
  1      2.3385700              1.0000000        


name: cc-pVQZ-NR MP2 Fitting
description: MP2 auxiliary basis for use with cc-pVQZ-NR AO basis set
elt: Mn
data:
MANGANESE
S   1
  1    396.4500000              1.0000000        
S   1
  1    178.2130000              1.0000000        
S   1
  1     79.4473000              1.0000000        
S   1
  1     33.6302000              1.0000000        
S   1
  1     14.8097000              1.0000000        
S   1
  1      7.2911800              1.0000000        
S   1
  1      4.2578700              1.0000000        
S   1
  1      2.0392900              1.0000000        
S   1
  1      0.9907890              1.0000000        
S   1
  1      0.5483150              1.0000000        
S   1
  1      0.2429700              1.0000000        
S   1
  1      0.0927930              1.0000000        
S   1
  1      0.0704030              1.0000000        
P   1
  1    148.7080000              1.0000000        
P   1
  1     62.2112000              1.0000000        
P   1
  1     26.0701000              1.0000000        
P   1
  1     12.3547000              1.0000000        
P   1
  1      7.2605200              1.0000000        
P   1
  1      4.1708100              1.0000000        
P   1
  1      1.3932100              1.0000000        
P   1
  1      0.8122440              1.0000000        
P   1
  1      0.5847270              1.0000000        
P   1
  1      0.2989110              1.0000000        
P   1
  1      0.1227890              1.0000000        
P   1
  1      0.0707740              1.0000000        
D   1
  1    111.8230000              1.0000000        
D   1
  1     20.3436000              1.0000000        
D   1
  1      9.4402400              1.0000000        
D   1
  1      4.1591300              1.0000000        
D   1
  1      2.9120800              1.0000000        
D   1
  1      1.1853800              1.0000000        
D   1
  1      0.8454790              1.0000000        
D   1
  1      0.3893500              1.0000000        
D   1
  1      0.1907820              1.0000000        
D   1
  1      0.0935000              1.0000000        
F   1
  1     44.8867000              1.0000000        
F   1
  1     12.0752000              1.0000000        
F   1
  1      6.1188100              1.0000000        
F   1
  1      2.7575500              1.0000000        
F   1
  1      1.8068500              1.0000000        
F   1
  1      0.8121220              1.0000000        
F   1
  1      0.4862330              1.0000000        
F   1
  1      0.2829960              1.0000000        
F   1
  1      0.1495920              1.0000000        
G   1
  1     29.6187000              1.0000000        
G   1
  1      9.7274100              1.0000000        
G   1
  1      3.9549100              1.0000000        
G   1
  1      1.8216600              1.0000000        
G   1
  1      0.9446910              1.0000000        
G   1
  1      0.3838840              1.0000000        
G   1
  1      0.1866240              1.0000000        
H   1
  1     18.5711000              1.0000000        
H   1
  1      7.3785600              1.0000000        
H   1
  1      2.9772100              1.0000000        
H   1
  1      1.8533000              1.0000000        
H   1
  1      0.7278420              1.0000000        
I   1
  1      8.1215600              1.0000000        
I   1
  1      4.4168800              1.0000000        
I   1
  1      1.8610600              1.0000000        
I   1
  1      1.1111200              1.0000000        
K   1
  1      5.3992600              1.0000000        
K   1
  1      2.8078600              1.0000000        


name: cc-pVQZ-NR MP2 Fitting
description: MP2 auxiliary basis for use with cc-pVQZ-NR AO basis set
elt: Fe
data:
IRON
S   1
  1    423.8440000              1.0000000        
S   1
  1    186.6100000              1.0000000        
S   1
  1     82.3759000              1.0000000        
S   1
  1     35.1298000              1.0000000        
S   1
  1     15.2303000              1.0000000        
S   1
  1      8.1093200              1.0000000        
S   1
  1      4.4798400              1.0000000        
S   1
  1      2.2324500              1.0000000        
S   1
  1      1.1091300              1.0000000        
S   1
  1      0.6916570              1.0000000        
S   1
  1      0.2634300              1.0000000        
S   1
  1      0.1044300              1.0000000        
S   1
  1      0.0727640              1.0000000        
P   1
  1    155.1060000              1.0000000        
P   1
  1     69.3054000              1.0000000        
P   1
  1     28.1861000              1.0000000        
P   1
  1     13.4105000              1.0000000        
P   1
  1      8.5524800              1.0000000        
P   1
  1      4.8202500              1.0000000        
P   1
  1      1.6235500              1.0000000        
P   1
  1      0.9495730              1.0000000        
P   1
  1      0.6425840              1.0000000        
P   1
  1      0.3147260              1.0000000        
P   1
  1      0.1303630              1.0000000        
P   1
  1      0.0760120              1.0000000        
D   1
  1    132.7750000              1.0000000        
D   1
  1     23.0075000              1.0000000        
D   1
  1      9.7901500              1.0000000        
D   1
  1      4.4153400              1.0000000        
D   1
  1      3.1400700              1.0000000        
D   1
  1      1.3110000              1.0000000        
D   1
  1      0.8772670              1.0000000        
D   1
  1      0.4141220              1.0000000        
D   1
  1      0.2107230              1.0000000        
D   1
  1      0.1014780              1.0000000        
F   1
  1     46.8343000              1.0000000        
F   1
  1     11.9976000              1.0000000        
F   1
  1      6.6549700              1.0000000        
F   1
  1      2.9738300              1.0000000        
F   1
  1      1.9178700              1.0000000        
F   1
  1      0.9105230              1.0000000        
F   1
  1      0.5837290              1.0000000        
F   1
  1      0.3297620              1.0000000        
F   1
  1      0.1615100              1.0000000        
G   1
  1     30.7728000              1.0000000        
G   1
  1     10.7782000              1.0000000        
G   1
  1      4.6512100              1.0000000        
G   1
  1      2.1115300              1.0000000        
G   1
  1      1.1314500              1.0000000        
G   1
  1      0.4477460              1.0000000        
G   1
  1      0.2090830              1.0000000        
H   1
  1     19.9567000              1.0000000        
H   1
  1      8.2966300              1.0000000        
H   1
  1      3.3088600              1.0000000        
H   1
  1      1.9718300              1.0000000        
H   1
  1      0.8510110              1.0000000        
I   1
  1      8.8058400              1.0000000        
I   1
  1      5.0245600              1.0000000        
I   1
  1      2.0699000              1.0000000        
I   1
  1      1.1860600              1.0000000        
K   1
  1      6.7531700              1.0000000        
K   1
  1      3.3813800              1.0000000        


name: cc-pVQZ-NR MP2 Fitting
description: MP2 auxiliary basis for use with cc-pVQZ-NR AO basis set
elt: Co
data:
COBALT
S   1
  1    447.2700000              1.0000000        
S   1
  1    202.4970000              1.0000000        
S   1
  1     89.6711000              1.0000000        
S   1
  1     40.2674000              1.0000000        
S   1
  1     16.4337000              1.0000000        
S   1
  1      8.7133000              1.0000000        
S   1
  1      4.8782500              1.0000000        
S   1
  1      2.6300400              1.0000000        
S   1
  1      1.1464800              1.0000000        
S   1
  1      0.6941590              1.0000000        
S   1
  1      0.2729720              1.0000000        
S   1
  1      0.1133450              1.0000000        
S   1
  1      0.0686660              1.0000000        
P   1
  1    167.2990000              1.0000000        
P   1
  1     77.0368000              1.0000000        
P   1
  1     31.1151000              1.0000000        
P   1
  1     14.8411000              1.0000000        
P   1
  1      9.2093600              1.0000000        
P   1
  1      5.3879200              1.0000000        
P   1
  1      1.8047800              1.0000000        
P   1
  1      1.0659700              1.0000000        
P   1
  1      0.6649480              1.0000000        
P   1
  1      0.3302710              1.0000000        
P   1
  1      0.1375200              1.0000000        
P   1
  1      0.0791000              1.0000000        
D   1
  1    138.0450000              1.0000000        
D   1
  1     26.0241000              1.0000000        
D   1
  1     10.3336000              1.0000000        
D   1
  1      4.8292500              1.0000000        
D   1
  1      3.2686600              1.0000000        
D   1
  1      1.4326700              1.0000000        
D   1
  1      0.7668870              1.0000000        
D   1
  1      0.4106890              1.0000000        
D   1
  1      0.2276390              1.0000000        
D   1
  1      0.1087070              1.0000000        
F   1
  1     51.1731000              1.0000000        
F   1
  1     13.4732000              1.0000000        
F   1
  1      7.9887500              1.0000000        
F   1
  1      3.5741600              1.0000000        
F   1
  1      2.4005900              1.0000000        
F   1
  1      1.0197700              1.0000000        
F   1
  1      0.6295740              1.0000000        
F   1
  1      0.2740730              1.0000000        
F   1
  1      0.1520760              1.0000000        
G   1
  1     33.3625000              1.0000000        
G   1
  1     11.9146000              1.0000000        
G   1
  1      5.2935200              1.0000000        
G   1
  1      2.3331100              1.0000000        
G   1
  1      1.2728900              1.0000000        
G   1
  1      0.4888900              1.0000000        
G   1
  1      0.2169050              1.0000000        
H   1
  1     21.1253000              1.0000000        
H   1
  1      9.4268300              1.0000000        
H   1
  1      3.7507600              1.0000000        
H   1
  1      2.2012500              1.0000000        
H   1
  1      0.9779990              1.0000000        
I   1
  1      9.2933200              1.0000000        
I   1
  1      5.2582400              1.0000000        
I   1
  1      2.5338400              1.0000000        
I   1
  1      1.5863700              1.0000000        
K   1
  1      7.3629900              1.0000000        
K   1
  1      3.8694200              1.0000000        


name: cc-pVQZ-NR MP2 Fitting
description: MP2 auxiliary basis for use with cc-pVQZ-NR AO basis set
elt: Ni
data:
NICKEL
S   1
  1    475.5460000              1.0000000        
S   1
  1    213.8270000              1.0000000        
S   1
  1     98.2317000              1.0000000        
S   1
  1     44.4874000              1.0000000        
S   1
  1     18.7965000              1.0000000        
S   1
  1      9.3142400              1.0000000        
S   1
  1      5.3793100              1.0000000        
S   1
  1      2.9827600              1.0000000        
S   1
  1      1.2309400              1.0000000        
S   1
  1      0.7364370              1.0000000        
S   1
  1      0.3155310              1.0000000        
S   1
  1      0.1181720              1.0000000        
S   1
  1      0.0751130              1.0000000        
P   1
  1    173.5680000              1.0000000        
P   1
  1     81.1279000              1.0000000        
P   1
  1     32.7358000              1.0000000        
P   1
  1     16.0368000              1.0000000        
P   1
  1      9.7122200              1.0000000        
P   1
  1      6.2973700              1.0000000        
P   1
  1      2.0086000              1.0000000        
P   1
  1      1.1467600              1.0000000        
P   1
  1      0.7151250              1.0000000        
P   1
  1      0.3308180              1.0000000        
P   1
  1      0.1374560              1.0000000        
P   1
  1      0.0800270              1.0000000        
D   1
  1    141.4450000              1.0000000        
D   1
  1     27.4129000              1.0000000        
D   1
  1     11.3669000              1.0000000        
D   1
  1      5.3132200              1.0000000        
D   1
  1      3.3799800              1.0000000        
D   1
  1      1.5830700              1.0000000        
D   1
  1      0.8226000              1.0000000        
D   1
  1      0.4272240              1.0000000        
D   1
  1      0.2360220              1.0000000        
D   1
  1      0.1196960              1.0000000        
F   1
  1     55.1077000              1.0000000        
F   1
  1     14.5972000              1.0000000        
F   1
  1      9.1043100              1.0000000        
F   1
  1      3.7336900              1.0000000        
F   1
  1      2.7354200              1.0000000        
F   1
  1      1.1168400              1.0000000        
F   1
  1      0.7147430              1.0000000        
F   1
  1      0.3046700              1.0000000        
F   1
  1      0.1783140              1.0000000        
G   1
  1     37.8586000              1.0000000        
G   1
  1     14.6650000              1.0000000        
G   1
  1      6.6805800              1.0000000        
G   1
  1      2.9871600              1.0000000        
G   1
  1      1.5789300              1.0000000        
G   1
  1      0.6125280              1.0000000        
G   1
  1      0.3053170              1.0000000        
H   1
  1     22.1752000              1.0000000        
H   1
  1     10.3831000              1.0000000        
H   1
  1      4.3660800              1.0000000        
H   1
  1      2.5470700              1.0000000        
H   1
  1      1.1822700              1.0000000        
I   1
  1     11.4471000              1.0000000        
I   1
  1      6.6142500              1.0000000        
I   1
  1      2.8601600              1.0000000        
I   1
  1      1.5866500              1.0000000        
K   1
  1      8.9814200              1.0000000        
K   1
  1      4.6964300              1.0000000        


name: cc-pVQZ-NR MP2 Fitting
description: MP2 auxiliary basis for use with cc-pVQZ-NR AO basis set
elt: Cu
data:
COPPER
S   1
  1    492.5130000              1.0000000        
S   1
  1    221.4740000              1.0000000        
S   1
  1    105.6640000              1.0000000        
S   1
  1     49.5662000              1.0000000        
S   1
  1     21.6985000              1.0000000        
S   1
  1     10.1104000              1.0000000        
S   1
  1      5.5612800              1.0000000        
S   1
  1      3.0935700              1.0000000        
S   1
  1      1.2955800              1.0000000        
S   1
  1      0.7874210              1.0000000        
S   1
  1      0.3451280              1.0000000        
S   1
  1      0.1238220              1.0000000        
S   1
  1      0.0837850              1.0000000        
P   1
  1    187.4000000              1.0000000        
P   1
  1     86.2278000              1.0000000        
P   1
  1     34.9641000              1.0000000        
P   1
  1     18.1470000              1.0000000        
P   1
  1     10.0993000              1.0000000        
P   1
  1      6.6307600              1.0000000        
P   1
  1      2.2792600              1.0000000        
P   1
  1      1.2356700              1.0000000        
P   1
  1      0.7469870              1.0000000        
P   1
  1      0.3606480              1.0000000        
P   1
  1      0.1597550              1.0000000        
P   1
  1      0.0804660              1.0000000        
D   1
  1    153.5820000              1.0000000        
D   1
  1     29.5736000              1.0000000        
D   1
  1     12.9349000              1.0000000        
D   1
  1      6.0467600              1.0000000        
D   1
  1      3.6589100              1.0000000        
D   1
  1      1.7433800              1.0000000        
D   1
  1      0.9554960              1.0000000        
D   1
  1      0.4988270              1.0000000        
D   1
  1      0.2429250              1.0000000        
D   1
  1      0.1292370              1.0000000        
F   1
  1     59.5452000              1.0000000        
F   1
  1     16.7922000              1.0000000        
F   1
  1      9.8521900              1.0000000        
F   1
  1      4.0771900              1.0000000        
F   1
  1      2.8264200              1.0000000        
F   1
  1      1.1740400              1.0000000        
F   1
  1      0.7635340              1.0000000        
F   1
  1      0.3364560              1.0000000        
F   1
  1      0.2034120              1.0000000        
G   1
  1     40.6048000              1.0000000        
G   1
  1     15.8469000              1.0000000        
G   1
  1      7.4429200              1.0000000        
G   1
  1      3.3056000              1.0000000        
G   1
  1      1.8084200              1.0000000        
G   1
  1      0.6968530              1.0000000        
G   1
  1      0.3264040              1.0000000        
H   1
  1     22.4749000              1.0000000        
H   1
  1     11.2400000              1.0000000        
H   1
  1      4.7757400              1.0000000        
H   1
  1      2.6675100              1.0000000        
H   1
  1      1.2854100              1.0000000        
I   1
  1     12.5964000              1.0000000        
I   1
  1      7.2323900              1.0000000        
I   1
  1      3.4299700              1.0000000        
I   1
  1      2.0413800              1.0000000        
K   1
  1     10.0605000              1.0000000        
K   1
  1      5.2891500              1.0000000        


name: cc-pVQZ-NR MP2 Fitting
description: MP2 auxiliary basis for use with cc-pVQZ-NR AO basis set
elt: Zn
data:
ZINC
S   1
  1    518.4800000              1.0000000        
S   1
  1    246.4610000              1.0000000        
S   1
  1    116.6600000              1.0000000        
S   1
  1     54.5598000              1.0000000        
S   1
  1     24.7342000              1.0000000        
S   1
  1     12.1299000              1.0000000        
S   1
  1      5.8088100              1.0000000        
S   1
  1      3.2178600              1.0000000        
S   1
  1      1.4068700              1.0000000        
S   1
  1      0.9008710              1.0000000        
S   1
  1      0.3922820              1.0000000        
S   1
  1      0.1318930              1.0000000        
S   1
  1      0.0942520              1.0000000        
P   1
  1    205.3700000              1.0000000        
P   1
  1     92.8968000              1.0000000        
P   1
  1     36.2818000              1.0000000        
P   1
  1     19.9279000              1.0000000        
P   1
  1     11.9966000              1.0000000        
P   1
  1      7.4694000              1.0000000        
P   1
  1      2.5370300              1.0000000        
P   1
  1      1.4506300              1.0000000        
P   1
  1      0.9225910              1.0000000        
P   1
  1      0.3968230              1.0000000        
P   1
  1      0.1775290              1.0000000        
P   1
  1      0.0892860              1.0000000        
D   1
  1    163.9130000              1.0000000        
D   1
  1     32.6176000              1.0000000        
D   1
  1     13.8933000              1.0000000        
D   1
  1      6.4956200              1.0000000        
D   1
  1      3.8555800              1.0000000        
D   1
  1      1.9770400              1.0000000        
D   1
  1      0.9867360              1.0000000        
D   1
  1      0.5116610              1.0000000        
D   1
  1      0.2458970              1.0000000        
D   1
  1      0.1324020              1.0000000        
F   1
  1     67.0993000              1.0000000        
F   1
  1     17.9769000              1.0000000        
F   1
  1     10.9788000              1.0000000        
F   1
  1      4.2432300              1.0000000        
F   1
  1      2.9885000              1.0000000        
F   1
  1      1.3092500              1.0000000        
F   1
  1      0.8353810              1.0000000        
F   1
  1      0.3551460              1.0000000        
F   1
  1      0.2205440              1.0000000        
G   1
  1     43.3517000              1.0000000        
G   1
  1     17.0020000              1.0000000        
G   1
  1      8.1585000              1.0000000        
G   1
  1      3.8289300              1.0000000        
G   1
  1      2.1647500              1.0000000        
G   1
  1      0.9123600              1.0000000        
G   1
  1      0.4617570              1.0000000        
H   1
  1     24.3230000              1.0000000        
H   1
  1     12.4725000              1.0000000        
H   1
  1      5.6219100              1.0000000        
H   1
  1      3.2740900              1.0000000        
H   1
  1      1.5528300              1.0000000        
I   1
  1     15.8182000              1.0000000        
I   1
  1      9.0621700              1.0000000        
I   1
  1      3.8944500              1.0000000        
I   1
  1      2.2147800              1.0000000        
K   1
  1     11.0222000              1.0000000        
K   1
  1      6.0700300              1.0000000        


name: cc-pVQZ-PP
description: VQZP Valence Quadruple Zeta + Polarization on All Atoms
elt: Cu
data:
COPPER
S   13
  1  15508.7000000              0.0000140        
  2   2328.9200000              0.0001050        
  3    523.7770000              0.0004380        
  4    100.3680000              0.0046370        
  5     61.7406000             -0.0254660        
  6     38.4248000              0.0774730        
  7     12.0349000             -0.3020460        
  8      7.5188400             -0.1685450        
  9      3.0273500              0.4480250        
 10      1.5382000              0.5945980        
 11      0.7436790              0.2251610        
 12      0.1966230              0.0093160        
 13      0.0848270             -0.0010320        
S   13
  1  15508.7000000             -0.0000030        
  2   2328.9200000             -0.0000240        
  3    523.7770000             -0.0001040        
  4    100.3680000             -0.0009690        
  5     61.7406000              0.0053730        
  6     38.4248000             -0.0170510        
  7     12.0349000              0.0735620        
  8      7.5188400              0.0348590        
  9      3.0273500             -0.1174500        
 10      1.5382000             -0.1997820        
 11      0.7436790             -0.1628140        
 12      0.1966230              0.2648850        
 13      0.0848270              0.5869380        
S   13
  1  15508.7000000             -0.0000060        
  2   2328.9200000             -0.0000600        
  3    523.7770000             -0.0001490        
  4    100.3680000             -0.0039860        
  5     61.7406000              0.0178140        
  6     38.4248000             -0.0440620        
  7     12.0349000              0.1967660        
  8      7.5188400              0.0029010        
  9      3.0273500             -0.2193950        
 10      1.5382000             -0.7208070        
 11      0.7436790              0.3835870        
 12      0.1966230              1.3093360        
 13      0.0848270             -0.2385300        
S   13
  1  15508.7000000             -0.0000140        
  2   2328.9200000             -0.0001300        
  3    523.7770000             -0.0003770        
  4    100.3680000             -0.0075170        
  5     61.7406000              0.0341870        
  6     38.4248000             -0.0923840        
  7     12.0349000              0.4943910        
  8      7.5188400             -0.0362500        
  9      3.0273500             -1.1478060        
 10      1.5382000             -0.9084610        
 11      0.7436790              2.4228960        
 12      0.1966230             -0.6174020        
 13      0.0848270             -1.3148600        
S   13
  1  15508.7000000             -0.0000240        
  2   2328.9200000             -0.0000950        
  3    523.7770000             -0.0009700        
  4    100.3680000              0.0053420        
  5     61.7406000             -0.0093410        
  6     38.4248000             -0.0536190        
  7     12.0349000              0.6275860        
  8      7.5188400              0.0008670        
  9      3.0273500             -3.4505650        
 10      1.5382000              3.9899740        
 11      0.7436790             -0.6545310        
 12      0.1966230             -2.8582570        
 13      0.0848270              4.0794890        
S   1
  1      0.0361620              1.0000000        
P   10
  1    345.4490000              0.0002510        
  2     56.9930000              0.0052130        
  3     20.3995000             -0.0530160        
  4     12.7510000             -0.0447570        
  5      5.0347400              0.2464200        
  6      2.5662000              0.4318110        
  7      1.2775200              0.3443720        
  8      0.6143370              0.1187810        
  9      0.2311970              0.0092340        
 10      0.0911140             -0.0002880        
P   10
  1    345.4490000             -0.0000540        
  2     56.9930000             -0.0010760        
  3     20.3995000              0.0115530        
  4     12.7510000              0.0086110        
  5      5.0347400             -0.0585540        
  6      2.5662000             -0.0986280        
  7      1.2775200             -0.1000970        
  8      0.6143370              0.0295210        
  9      0.2311970              0.3346900        
 10      0.0911140              0.5307450        
P   10
  1    345.4490000             -0.0001200        
  2     56.9930000             -0.0022140        
  3     20.3995000              0.0253640        
  4     12.7510000              0.0174120        
  5      5.0347400             -0.1413040        
  6      2.5662000             -0.2114720        
  7      1.2775200             -0.1640210        
  8      0.6143370              0.2460890        
  9      0.2311970              0.6390340        
 10      0.0911140              0.2883200        
P   10
  1    345.4490000             -0.0002850        
  2     56.9930000             -0.0048990        
  3     20.3995000              0.0672310        
  4     12.7510000              0.0257120        
  5      5.0347400             -0.4458290        
  6      2.5662000             -0.4587550        
  7      1.2775200              0.2173590        
  8      0.6143370              1.0616080        
  9      0.2311970             -0.2860870        
 10      0.0911140             -0.6112140        
P   10
  1    345.4490000             -0.0003700        
  2     56.9930000             -0.0089010        
  3     20.3995000              0.1565960        
  4     12.7510000             -0.0539670        
  5      5.0347400             -1.0899790        
  6      2.5662000              0.0518200        
  7      1.2775200              1.7570770        
  8      0.6143370             -0.9875940        
  9      0.2311970             -0.7893940        
 10      0.0911140              0.9725210        
P   1
  1      0.0356900              1.0000000        
D   10
  1    405.8810000              0.0002490        
  2    123.0710000              0.0026180        
  3     49.2179000              0.0170010        
  4     22.6142000              0.0554800        
  5     10.8078000              0.1345330        
  6      5.3256000              0.2313120        
  7      2.6210100              0.2915400        
  8      1.2629000              0.2863330        
  9      0.5881370              0.2204760        
 10      0.2602140              0.1185730        
D   10
  1    405.8810000             -0.0003040        
  2    123.0710000             -0.0032540        
  3     49.2179000             -0.0210730        
  4     22.6142000             -0.0701670        
  5     10.8078000             -0.1757260        
  6      5.3256000             -0.2895470        
  7      2.6210100             -0.2357140        
  8      1.2629000              0.0741710        
  9      0.5881370              0.3732830        
 10      0.2602140              0.3984690        
D   10
  1    405.8810000              0.0003630        
  2    123.0710000              0.0039380        
  3     49.2179000              0.0255270        
  4     22.6142000              0.0868280        
  5     10.8078000              0.2313590        
  6      5.3256000              0.3382510        
  7      2.6210100             -0.0486580        
  8      1.2629000             -0.5918370        
  9      0.5881370             -0.2888500        
 10      0.2602140              0.4871680        
D   10
  1    405.8810000             -0.0005760        
  2    123.0710000             -0.0056110        
  3     49.2179000             -0.0398950        
  4     22.6142000             -0.1306290        
  5     10.8078000             -0.4204660        
  6      5.3256000             -0.2755370        
  7      2.6210100              0.8754220        
  8      1.2629000              0.3094680        
  9      0.5881370             -0.9987810        
 10      0.2602140              0.0721810        
D   1
  1      0.1053380              1.0000000        
F   1
  1      7.8928000              1.0000000        
F   1
  1      2.4235000              1.0000000        
F   1
  1      0.7442000              1.0000000        
G   1
  1      6.0888000              1.0000000        
G   1
  1      1.7871000              1.0000000        
H   1
  1      3.7676000              1.0000000        


name: cc-pVQZ-PP
description: VQZP Valence Quadruple Zeta + Polarization on All Atoms
elt: Zn
data:
ZINC
S   13
  1  17464.2000000              0.0000130        
  2   2622.6800000              0.0000920        
  3    589.6620000              0.0003820        
  4    113.7680000              0.0038900        
  5     68.8689000             -0.0229110        
  6     42.8903000              0.0713640        
  7     12.7798000             -0.3143430        
  8      7.9929100             -0.1552930        
  9      3.2917900              0.4513350        
 10      1.6680800              0.6018560        
 11      0.8030500              0.2188520        
 12      0.2094640              0.0066730        
 13      0.0897890             -0.0021100        
S   13
  1  17464.2000000             -0.0000030        
  2   2622.6800000             -0.0000210        
  3    589.6620000             -0.0000900        
  4    113.7680000             -0.0008520        
  5     68.8689000              0.0050100        
  6     42.8903000             -0.0160700        
  7     12.7798000              0.0784840        
  8      7.9929100              0.0304670        
  9      3.2917900             -0.1171530        
 10      1.6680800             -0.2131310        
 11      0.8030500             -0.1590390        
 12      0.2094640              0.3127660        
 13      0.0897890              0.5929400        
S   13
  1  17464.2000000              0.0000080        
  2   2622.6800000              0.0000870        
  3    589.6620000              0.0001720        
  4    113.7680000              0.0060140        
  5     68.8689000             -0.0272060        
  6     42.8903000              0.0661050        
  7     12.7798000             -0.3492550        
  8      7.9929100              0.0564170        
  9      3.2917900              0.4365590        
 10      1.6680800              1.0757110        
 11      0.8030500             -1.1079040        
 12      0.2094640             -1.2826000        
 13      0.0897890              1.0615260        
S   13
  1  17464.2000000              0.0000160        
  2   2622.6800000              0.0001060        
  3    589.6620000              0.0005050        
  4    113.7680000              0.0029170        
  5     68.8689000             -0.0187760        
  6     42.8903000              0.0750030        
  7     12.7798000             -0.5583330        
  8      7.9929100              0.0366900        
  9      3.2917900              1.8147690        
 10      1.6680800             -0.1713440        
 11      0.8030500             -2.2758900        
 12      0.2094640              2.3039210        
 13      0.0897890             -0.7279820        
S   13
  1  17464.2000000             -0.0000270        
  2   2622.6800000             -0.0001430        
  3    589.6620000             -0.0009780        
  4    113.7680000              0.0008450        
  5     68.8689000              0.0086220        
  6     42.8903000             -0.0979110        
  7     12.7798000              1.2825580        
  8      7.9929100             -0.9139650        
  9      3.2917900             -4.3085060        
 10      1.6680800              7.4803930        
 11      0.8030500             -4.4940910        
 12      0.2094640              0.5511480        
 13      0.0897890              1.2844830        
S   1
  1      0.0379800              1.0000000        
P   10
  1    398.9490000              0.0002080        
  2     63.7385000              0.0054020        
  3     29.5429000             -0.0210140        
  4     16.6626000             -0.0713900        
  5      5.2522400              0.2685640        
  6      2.6639700              0.4380750        
  7      1.3228300              0.3294410        
  8      0.6335320              0.1006310        
  9      0.2384830              0.0064050        
 10      0.0935750              0.0000370        
P   10
  1    398.9490000             -0.0000410        
  2     63.7385000             -0.0011260        
  3     29.5429000              0.0046380        
  4     16.6626000              0.0138780        
  5      5.2522400             -0.0618020        
  6      2.6639700             -0.0961050        
  7      1.3228300             -0.0939660        
  8      0.6335320              0.0385890        
  9      0.2384830              0.3379910        
 10      0.0935750              0.5263300        
P   10
  1    398.9490000              0.0000780        
  2     63.7385000              0.0021580        
  3     29.5429000             -0.0093740        
  4     16.6626000             -0.0255010        
  5      5.2522400              0.1284190        
  6      2.6639700              0.1798850        
  7      1.3228300              0.1488770        
  8      0.6335320             -0.1938270        
  9      0.2384830             -0.6513930        
 10      0.0935750             -0.3142910        
P   10
  1    398.9490000             -0.0001770        
  2     63.7385000             -0.0066510        
  3     29.5429000              0.0342130        
  4     16.6626000              0.0550710        
  5      5.2522400             -0.4829160        
  6      2.6639700             -0.4147730        
  7      1.3228300              0.2333400        
  8      0.6335320              1.0532400        
  9      0.2384830             -0.2793310        
 10      0.0935750             -0.5819880        
P   10
  1    398.9490000              0.0000190        
  2     63.7385000              0.0165720        
  3     29.5429000             -0.0994770        
  4     16.6626000             -0.0077500        
  5      5.2522400              1.1198990        
  6      2.6639700             -0.1615330        
  7      1.3228300             -1.6735270        
  8      0.6335320              0.9920100        
  9      0.2384830              0.7738290        
 10      0.0935750             -0.9846080        
P   1
  1      0.0365220              1.0000000        
D   10
  1    503.6810000              0.0002000        
  2    152.7880000              0.0020970        
  3     60.7411000              0.0140450        
  4     28.2215000              0.0481610        
  5     13.5558000              0.1194910        
  6      6.7366100              0.2158360        
  7      3.3630400              0.2856100        
  8      1.6508800              0.2921570        
  9      0.7868990              0.2327360        
 10      0.3583250              0.1283070        
D   10
  1    503.6810000              0.0002750        
  2    152.7880000              0.0029310        
  3     60.7411000              0.0196780        
  4     28.2215000              0.0684660        
  5     13.5558000              0.1773160        
  6      6.7366100              0.3130830        
  7      3.3630400              0.2740060        
  8      1.6508800             -0.0823040        
  9      0.7868990             -0.4072950        
 10      0.3583250             -0.3689800        
D   10
  1    503.6810000              0.0003080        
  2    152.7880000              0.0033290        
  3     60.7411000              0.0223800        
  4     28.2215000              0.0792960        
  5     13.5558000              0.2228230        
  6      6.7366100              0.3649620        
  7      3.3630400             -0.0771980        
  8      1.6508800             -0.6258610        
  9      0.7868990             -0.2423250        
 10      0.3583250              0.5207460        
D   10
  1    503.6810000             -0.0004440        
  2    152.7880000             -0.0040810        
  3     60.7411000             -0.0313100        
  4     28.2215000             -0.1021230        
  5     13.5558000             -0.3553010        
  6      6.7366100             -0.3428580        
  7      3.3630400              0.7548930        
  8      1.6508800              0.4861180        
  9      0.7868990             -1.0333540        
 10      0.3583250             -0.0694380        
D   1
  1      0.1501310              1.0000000        
F   1
  1      8.9039000              1.0000000        
F   1
  1      2.7656000              1.0000000        
F   1
  1      0.8590000              1.0000000        
G   1
  1      6.9963000              1.0000000        
G   1
  1      2.0818000              1.0000000        
H   1
  1      4.3846000              1.0000000        


name: cc-pVQZ-PP
description: VQZP Valence Quadruple Zeta + Polarization on All Atoms
elt: Ga
data:
GALLIUM
S   10
  1  22928.0000000              0.0000290        
  2   3443.3700000              0.0002140        
  3    780.7140000              0.0009570        
  4    210.6310000              0.0025910        
  5     49.6280000             -0.0265900        
  6     31.0033000              0.2112800        
  7     19.3680000             -0.2964610        
  8     10.6012000             -0.2759270        
  9      3.3973400              0.4620430        
 10      1.7788200              0.5722390        
S   10
  1  22928.0000000             -0.0000080        
  2   3443.3700000             -0.0000600        
  3    780.7140000             -0.0002700        
  4    210.6310000             -0.0007150        
  5     49.6280000              0.0064990        
  6     31.0033000             -0.0556790        
  7     19.3680000              0.0826360        
  8     10.6012000              0.0738260        
  9      3.3973400             -0.1460110        
 10      1.7788200             -0.2490670        
S   1
  1      0.8931830              1.0000000        
S   1
  1      0.2766800              1.0000000        
S   1
  1      0.1219910              1.0000000        
S   1
  1      0.0517400              1.0000000        
P   8
  1    449.1840000              0.0001980        
  2     73.5402000              0.0045280        
  3     32.7231000             -0.0178910        
  4     17.9879000             -0.0757400        
  5      5.7194700              0.2700640        
  6      2.9023000              0.4455350        
  7      1.4382500              0.3306580        
  8      0.6851650              0.0901940        
P   8
  1    449.1840000             -0.0000340        
  2     73.5402000             -0.0008270        
  3     32.7231000              0.0034710        
  4     17.9879000              0.0129630        
  5      5.7194700             -0.0542150        
  6      2.9023000             -0.0831230        
  7      1.4382500             -0.0863750        
  8      0.6851650              0.0282190        
P   1
  1      0.2434650              1.0000000        
P   1
  1      0.0926680              1.0000000        
P   1
  1      0.0353810              1.0000000        
D   9
  1    638.2790000              0.0001590        
  2    193.5630000              0.0016860        
  3     76.7492000              0.0117310        
  4     35.9784000              0.0416380        
  5     17.2655000              0.1068170        
  6      8.6083500              0.2028410        
  7      4.3220800              0.2834890        
  8      2.1438300              0.3024140        
  9      1.0383000              0.2434980        
D   1
  1      0.4824520              1.0000000        
D   1
  1      0.2042480              1.0000000        
D   1
  1      0.0800000              1.0000000        
F   1
  1      0.4817000              1.0000000        
F   1
  1      0.1886000              1.0000000        
G   1
  1      0.4139000              1.0000000        


name: cc-pVQZ-PP
description: VQZP Valence Quadruple Zeta + Polarization on All Atoms
elt: Ge
data:
GERMANIUM
S   10
  1  25151.7000000              0.0000420        
  2   3785.3800000              0.0003150        
  3    860.4780000              0.0014180        
  4    235.9820000              0.0038190        
  5     51.6460000             -0.0176720        
  6     32.2696000              0.2014420        
  7     20.1619000             -0.3258430        
  8     10.8084000             -0.2425770        
  9      3.8365500              0.4151180        
 10      2.0392400              0.5931230        
S   10
  1  25151.7000000             -0.0000130        
  2   3785.3800000             -0.0000990        
  3    860.4780000             -0.0004520        
  4    235.9820000             -0.0012000        
  5     51.6460000              0.0042570        
  6     32.2696000             -0.0581880        
  7     20.1619000              0.1002670        
  8     10.8084000              0.0725920        
  9      3.8365500             -0.1458830        
 10      2.0392400             -0.2881030        
S   1
  1      1.0316300              1.0000000        
S   1
  1      0.3470900              1.0000000        
S   1
  1      0.1554010              1.0000000        
S   1
  1      0.0664650              1.0000000        
P   8
  1    466.3180000              0.0002470        
  2     79.4790000              0.0044640        
  3     31.7888000             -0.0209550        
  4     19.4127000             -0.0712630        
  5      6.1333000              0.2827600        
  6      3.0814100              0.4597000        
  7      1.5165300              0.3195370        
  8      0.7159120              0.0716560        
P   8
  1    466.3180000             -0.0000520        
  2     79.4790000             -0.0010010        
  3     31.7888000              0.0051450        
  4     19.4127000              0.0143770        
  5      6.1333000             -0.0687950        
  6      3.0814100             -0.1082560        
  7      1.5165300             -0.1011480        
  8      0.7159120              0.0549850        
P   1
  1      0.2911430              1.0000000        
P   1
  1      0.1190150              1.0000000        
P   1
  1      0.0476750              1.0000000        
D   9
  1    745.7170000              0.0001400        
  2    226.1110000              0.0014730        
  3     89.1353000              0.0102010        
  4     41.7727000              0.0391790        
  5     20.0914000              0.1019350        
  6     10.0889000              0.1993250        
  7      5.1086700              0.2831690        
  8      2.5627600              0.3068580        
  9      1.2608200              0.2452700        
D   1
  1      0.5958460              1.0000000        
D   1
  1      0.2538350              1.0000000        
D   1
  1      0.1021000              1.0000000        
F   1
  1      0.5517000              1.0000000        
F   1
  1      0.2214000              1.0000000        
G   1
  1      0.4789000              1.0000000        


name: cc-pVQZ-PP
description: VQZP Valence Quadruple Zeta + Polarization on All Atoms
elt: As
data:
ARSENIC
S   10
  1  82731.9000000              0.0000160        
  2  12384.7000000              0.0001260        
  3   2814.4100000              0.0006280        
  4    792.0460000              0.0023020        
  5    246.5820000              0.0056700        
  6     32.6788000              0.1779680        
  7     20.4343000             -0.3662610        
  8     10.7120000             -0.1810840        
  9      4.0641400              0.4402710        
 10      2.1269600              0.5914510        
S   10
  1  82731.9000000             -0.0000060        
  2  12384.7000000             -0.0000430        
  3   2814.4100000             -0.0002270        
  4    792.0460000             -0.0007790        
  5    246.5820000             -0.0021070        
  6     32.6788000             -0.0585840        
  7     20.4343000              0.1259760        
  8     10.7120000              0.0560640        
  9      4.0641400             -0.1680180        
 10      2.1269600             -0.3403450        
S   1
  1      1.0876800              1.0000000        
S   1
  1      0.4113150              1.0000000        
S   1
  1      0.1849860              1.0000000        
S   1
  1      0.0803590              1.0000000        
P   8
  1    457.7400000              0.0003210        
  2     78.0589000              0.0056960        
  3     35.2655000             -0.0136450        
  4     22.0400000             -0.0803730        
  5      6.5643000              0.2936290        
  6      3.2975400              0.4674820        
  7      1.6266000              0.3099600        
  8      0.7577020              0.0602750        
P   8
  1    457.7400000             -0.0000760        
  2     78.0589000             -0.0014860        
  3     35.2655000              0.0043200        
  4     22.0400000              0.0182230        
  5      6.5643000             -0.0811290        
  6      3.2975400             -0.1284090        
  7      1.6266000             -0.1108180        
  8      0.7577020              0.0889020        
P   1
  1      0.3325900              1.0000000        
P   1
  1      0.1426260              1.0000000        
P   1
  1      0.0592550              1.0000000        
D   9
  1    876.2550000              0.0001230        
  2    265.8320000              0.0012900        
  3    104.5470000              0.0088170        
  4     48.7351000              0.0376420        
  5     23.6907000              0.0959790        
  6     11.9123000              0.1917370        
  7      6.0602700              0.2816010        
  8      3.0596100              0.3126130        
  9      1.5190700              0.2503590        
D   1
  1      0.7247700              1.0000000        
D   1
  1      0.3090870              1.0000000        
D   1
  1      0.1263000              1.0000000        
F   1
  1      0.6440000              1.0000000        
F   1
  1      0.2650000              1.0000000        
G   1
  1      0.5585000              1.0000000        


name: cc-pVQZ-PP
description: VQZP Valence Quadruple Zeta + Polarization on All Atoms
elt: Se
data:
SELENIUM
S   10
  1  73612.1000000              0.0000310        
  2  11056.7000000              0.0002410        
  3   2517.5200000              0.0011940        
  4    711.7830000              0.0042060        
  5    226.6280000              0.0092780        
  6     36.4131000              0.1596950        
  7     22.7601000             -0.2846340        
  8     13.3062000             -0.2125740        
  9      4.0545000              0.4951060        
 10      2.1449800              0.5549030        
S   10
  1  73612.1000000             -0.0000120        
  2  11056.7000000             -0.0000920        
  3   2517.5200000             -0.0004720        
  4    711.7830000             -0.0015950        
  5    226.6280000             -0.0037860        
  6     36.4131000             -0.0574930        
  7     22.7601000              0.1086680        
  8     13.3062000              0.0699680        
  9      4.0545000             -0.2139460        
 10      2.1449800             -0.3756850        
S   1
  1      1.1214700              1.0000000        
S   1
  1      0.4694240              1.0000000        
S   1
  1      0.2126970              1.0000000        
S   1
  1      0.0930270              1.0000000        
P   8
  1    474.0070000              0.0003940        
  2     83.4691000              0.0058600        
  3     39.0045000             -0.0069760        
  4     24.3856000             -0.0858220        
  5      7.0513300              0.2994180        
  6      3.5538000              0.4725250        
  7      1.7637600              0.3022520        
  8      0.8205560              0.0540210        
P   8
  1    474.0070000             -0.0001010        
  2     83.4691000             -0.0017120        
  3     39.0045000              0.0031420        
  4     24.3856000              0.0211090        
  5      7.0513300             -0.0907930        
  6      3.5538000             -0.1449380        
  7      1.7637600             -0.1162720        
  8      0.8205560              0.1305990        
P   1
  1      0.3681060              1.0000000        
P   1
  1      0.1583980              1.0000000        
P   1
  1      0.0656420              1.0000000        
D   9
  1   1001.0700000              0.0001120        
  2    303.6460000              0.0011740        
  3    119.3050000              0.0079210        
  4     55.1135000              0.0360420        
  5     27.0558000              0.0929110        
  6     13.6264000              0.1882660        
  7      6.9625000              0.2813260        
  8      3.5385100              0.3159950        
  9      1.7732100              0.2520300        
D   1
  1      0.8534730              1.0000000        
D   1
  1      0.3636500              1.0000000        
D   1
  1      0.1506000              1.0000000        
F   1
  1      0.7109000              1.0000000        
F   1
  1      0.2847000              1.0000000        
G   1
  1      0.5817000              1.0000000        


name: cc-pVQZ-PP
description: VQZP Valence Quadruple Zeta + Polarization on All Atoms
elt: Br
data:
BROMINE
S   10
  1  78967.5000000              0.0000280        
  2  11809.7000000              0.0002140        
  3   2687.1400000              0.0010560        
  4    760.0360000              0.0036880        
  5    241.8110000              0.0079340        
  6     38.4914000              0.1528680        
  7     24.0586000             -0.2786020        
  8     14.3587000             -0.2188500        
  9      4.3773700              0.4960050        
 10      2.3518200              0.5523410        
S   10
  1  78967.5000000             -0.0000110        
  2  11809.7000000             -0.0000860        
  3   2687.1400000             -0.0004350        
  4    760.0360000             -0.0014570        
  5    241.8110000             -0.0033810        
  6     38.4914000             -0.0576580        
  7     24.0586000              0.1123250        
  8     14.3587000              0.0756730        
  9      4.3773700             -0.2249200        
 10      2.3518200             -0.4067380        
S   1
  1      1.2510500              1.0000000        
S   1
  1      0.5294680              1.0000000        
S   1
  1      0.2418960              1.0000000        
S   1
  1      0.1064860              1.0000000        
P   8
  1    503.6320000              0.0004640        
  2     93.0023000              0.0054560        
  3     42.5100000             -0.0013070        
  4     26.5778000             -0.0887240        
  5      7.5809700              0.3001460        
  6      3.8588700              0.4722000        
  7      1.9430900              0.2982910        
  8      0.9242090              0.0537770        
P   8
  1    503.6320000             -0.0001290        
  2     93.0023000             -0.0017470        
  3     42.5100000              0.0018620        
  4     26.5778000              0.0234510        
  5      7.5809700             -0.0989990        
  6      3.8588700             -0.1577990        
  7      1.9430900             -0.1232600        
  8      0.9242090              0.1538350        
P   1
  1      0.4177330              1.0000000        
P   1
  1      0.1808530              1.0000000        
P   1
  1      0.0751540              1.0000000        
D   9
  1   1097.7200000              0.0001110        
  2    332.9290000              0.0011530        
  3    130.8000000              0.0076900        
  4     60.1271000              0.0357150        
  5     29.7430000              0.0930320        
  6     15.0381000              0.1885660        
  7      7.7313200              0.2835430        
  8      3.9619300              0.3179110        
  9      2.0044900              0.2481490        
D   1
  1      0.9732760              1.0000000        
D   1
  1      0.4146780              1.0000000        
D   1
  1      0.1747000              1.0000000        
F   1
  1      0.8255000              1.0000000        
F   1
  1      0.3409000              1.0000000        
G   1
  1      0.6582000              1.0000000        


name: cc-pVQZ-PP
description: VQZP Valence Quadruple Zeta + Polarization on All Atoms
elt: Kr
data:
KRYPTON
S   10
  1  76661.6000000              0.0000470        
  2  11509.1000000              0.0003580        
  3   2619.7900000              0.0017640        
  4    740.0440000              0.0060970        
  5    235.3410000              0.0126810        
  6     42.3839000              0.1378460        
  7     26.5014000             -0.1928550        
  8     16.5732000             -0.2783680        
  9      4.5911400              0.5190560        
 10      2.4936800              0.5345950        
S   10
  1  76661.6000000             -0.0000210        
  2  11509.1000000             -0.0001560        
  3   2619.7900000             -0.0007870        
  4    740.0440000             -0.0026470        
  5    235.3410000             -0.0058210        
  6     42.3839000             -0.0565500        
  7     26.5014000              0.0888470        
  8     16.5732000              0.0988730        
  9      4.5911400             -0.2533780        
 10      2.4936800             -0.4308890        
S   1
  1      1.3510500              1.0000000        
S   1
  1      0.5872400              1.0000000        
S   1
  1      0.2708180              1.0000000        
S   1
  1      0.1203850              1.0000000        
P   8
  1    546.9030000              0.0005220        
  2    106.9980000              0.0047140        
  3     46.5133000              0.0065750        
  4     29.0722000             -0.0943870        
  5      8.1471300              0.3012610        
  6      4.1953500              0.4704050        
  7      2.1482200              0.2947310        
  8      1.0521500              0.0550150        
P   8
  1    546.9030000             -0.0001530        
  2    106.9980000             -0.0016280        
  3     46.5133000             -0.0003650        
  4     29.0722000              0.0264490        
  5      8.1471300             -0.1062780        
  6      4.1953500             -0.1674120        
  7      2.1482200             -0.1298020        
  8      1.0521500              0.1675570        
P   1
  1      0.4777450              1.0000000        
P   1
  1      0.2081680              1.0000000        
P   1
  1      0.0868240              1.0000000        
D   9
  1   1171.0600000              0.0001150        
  2    355.3510000              0.0011940        
  3    139.6840000              0.0078820        
  4     64.0219000              0.0367930        
  5     31.8343000              0.0962870        
  6     16.1423000              0.1925500        
  7      8.3345400              0.2869610        
  8      4.2994000              0.3181250        
  9      2.1954300              0.2409670        
D   1
  1      1.0750800              1.0000000        
D   1
  1      0.4575000              1.0000000        
D   1
  1      0.1965000              1.0000000        
F   1
  1      0.9596000              1.0000000        
F   1
  1      0.4170000              1.0000000        
G   1
  1      0.7504000              1.0000000        


name: cc-pVQZ-PP
description: VQZP Valence Quadruple Zeta + Polarization on All Atoms
elt: Y
data:
YTTRIUM
S   13
  1   5177.1300000              0.0000060        
  2    803.7880000              0.0000420        
  3    176.8550000              0.0001850        
  4     24.7094000              0.0068560        
  5     15.4311000             -0.0514100        
  6      9.6370600              0.1537220        
  7      3.6556900             -0.3427500        
  8      2.1887900             -0.2814160        
  9      0.9669010              0.4317850        
 10      0.5203350              0.6443500        
 11      0.2687380              0.2560410        
 12      0.0934310              0.0142160        
 13      0.0442780             -0.0008570        
S   13
  1   5177.1300000             -0.0000020        
  2    803.7880000             -0.0000130        
  3    176.8550000             -0.0000630        
  4     24.7094000             -0.0020340        
  5     15.4311000              0.0156890        
  6      9.6370600             -0.0487030        
  7      3.6556900              0.1209540        
  8      2.1887900              0.0857950        
  9      0.9669010             -0.1647410        
 10      0.5203350             -0.3133730        
 11      0.2687380             -0.2505130        
 12      0.0934310              0.3309260        
 13      0.0442780              0.6689400        
S   13
  1   5177.1300000             -0.0000030        
  2    803.7880000             -0.0000340        
  3    176.8550000             -0.0000560        
  4     24.7094000             -0.0065930        
  5     15.4311000              0.0389400        
  6      9.6370600             -0.1029080        
  7      3.6556900              0.2703540        
  8      2.1887900              0.0618350        
  9      0.9669010             -0.1353620        
 10      0.5203350             -1.2866270        
 11      0.2687380              0.5668990        
 12      0.0934310              2.0738270        
 13      0.0442780             -1.1966140        
S   13
  1   5177.1300000             -0.0000040        
  2    803.7880000             -0.0000520        
  3    176.8550000             -0.0000830        
  4     24.7094000             -0.0098760        
  5     15.4311000              0.0577990        
  6      9.6370600             -0.1538970        
  7      3.6556900              0.4217130        
  8      2.1887900              0.1309820        
  9      0.9669010             -0.5555320        
 10      0.5203350             -2.5771630        
 11      0.2687380              4.1711070        
 12      0.0934310             -1.4383750        
 13      0.0442780             -1.6047110        
S   13
  1   5177.1300000             -0.0000120        
  2    803.7880000              0.0000460        
  3    176.8550000             -0.0006750        
  4     24.7094000              0.0212080        
  5     15.4311000             -0.0598710        
  6      9.6370600              0.0151140        
  7      3.6556900             -0.0377770        
  8      2.1887900              1.1622360        
  9      0.9669010             -3.2770720        
 10      0.5203350              1.2701190        
 11      0.2687380              3.1537770        
 12      0.0934310             -6.7129510        
 13      0.0442780              7.3005270        
S   1
  1      0.0205860              1.0000000        
P   10
  1    107.4110000              0.0000910        
  2      7.8253700              0.0412730        
  3      4.8896400             -0.1207510        
  4      2.6346700             -0.0913090        
  5      1.2906400              0.2467110        
  6      0.6865630              0.4542820        
  7      0.3642540              0.3496890        
  8      0.1880790              0.1146010        
  9      0.0906470              0.0109550        
 10      0.0433930              0.0016130        
P   10
  1    107.4110000             -0.0000300        
  2      7.8253700             -0.0128200        
  3      4.8896400              0.0389180        
  4      2.6346700              0.0262170        
  5      1.2906400             -0.0850530        
  6      0.6865630             -0.1644870        
  7      0.3642540             -0.1767940        
  8      0.1880790              0.0390610        
  9      0.0906470              0.4379790        
 10      0.0433930              0.5157770        
P   10
  1    107.4110000             -0.0000650        
  2      7.8253700             -0.0284960        
  3      4.8896400              0.0852470        
  4      2.6346700              0.0687010        
  5      1.2906400             -0.1845780        
  6      0.6865630             -0.6131370        
  7      0.3642540             -0.2279870        
  8      0.1880790              1.3845570        
  9      0.0906470              0.1841280        
 10      0.0433930             -0.8904790        
P   10
  1    107.4110000             -0.0000790        
  2      7.8253700             -0.0378270        
  3      4.8896400              0.1192150        
  4      2.6346700              0.0674820        
  5      1.2906400             -0.2648700        
  6      0.6865630             -1.1887760        
  7      0.3642540              1.3402300        
  8      0.1880790              1.1973990        
  9      0.0906470             -2.3967800        
 10      0.0433930              0.7039560        
P   10
  1    107.4110000             -0.0001660        
  2      7.8253700             -0.0512630        
  3      4.8896400              0.1531410        
  4      2.6346700              0.2656770        
  5      1.2906400             -1.1525810        
  6      0.6865630             -1.1729520        
  7      0.3642540              4.9116730        
  8      0.1880790             -5.0069800        
  9      0.0906470              1.9625810        
 10      0.0433930              0.7231000        
P   1
  1      0.0203400              1.0000000        
D   9
  1     44.4707000              0.0001300        
  2     12.2260000              0.0012450        
  3      5.0145900             -0.0064180        
  4      1.6657600              0.0515240        
  5      0.8894000              0.1608100        
  6      0.4492320              0.2592560        
  7      0.2178540              0.3131190        
  8      0.1023240              0.2970510        
  9      0.0468400              0.1865630        
D   9
  1     44.4707000             -0.0001640        
  2     12.2260000             -0.0014080        
  3      5.0145900              0.0073280        
  4      1.6657600             -0.0672140        
  5      0.8894000             -0.1989690        
  6      0.4492320             -0.3268610        
  7      0.2178540             -0.2274790        
  8      0.1023240              0.2344810        
  9      0.0468400              0.5414920        
D   9
  1     44.4707000              0.0001980        
  2     12.2260000              0.0019390        
  3      5.0145900             -0.0100050        
  4      1.6657600              0.0955710        
  5      0.8894000              0.2915650        
  6      0.4492320              0.4281810        
  7      0.2178540             -0.3428950        
  8      0.1023240             -0.8129610        
  9      0.0468400              0.3614820        
D   9
  1     44.4707000             -0.0003660        
  2     12.2260000             -0.0021570        
  3      5.0145900              0.0129660        
  4      1.6657600             -0.1214120        
  5      0.8894000             -0.6795100        
  6      0.4492320              0.0093200        
  7      0.2178540              1.4118300        
  8      0.1023240             -0.9492730        
  9      0.0468400             -0.5277300        
D   1
  1      0.0205940              1.0000000        
F   1
  1      0.9135000              1.0000000        
F   1
  1      0.2836000              1.0000000        
F   1
  1      0.0880000              1.0000000        
G   1
  1      0.5819000              1.0000000        
G   1
  1      0.1735000              1.0000000        
H   1
  1      0.3395000              1.0000000        


name: cc-pVQZ-PP
description: VQZP Valence Quadruple Zeta + Polarization on All Atoms
elt: Zr
data:
ZIRCONIUM
S   13
  1   5675.2400000              0.0000060        
  2    863.1340000              0.0000460        
  3    190.3400000              0.0001980        
  4     26.9090000              0.0070570        
  5     16.8039000             -0.0530490        
  6     10.4957000              0.1577920        
  7      3.9316800             -0.3577070        
  8      2.4065300             -0.2830480        
  9      1.0562800              0.4624190        
 10      0.5710270              0.6391000        
 11      0.2958580              0.2418360        
 12      0.1043250              0.0136140        
 13      0.0485630             -0.0007280        
S   13
  1   5675.2400000             -0.0000020        
  2    863.1340000             -0.0000150        
  3    190.3400000             -0.0000680        
  4     26.9090000             -0.0021350        
  5     16.8039000              0.0164650        
  6     10.4957000             -0.0508100        
  7      3.9316800              0.1293950        
  8      2.4065300              0.0858250        
  9      1.0562800             -0.1802650        
 10      0.5710270             -0.3258040        
 11      0.2958580             -0.2273070        
 12      0.1043250              0.3456950        
 13      0.0485630              0.6582420        
S   13
  1   5675.2400000             -0.0000030        
  2    863.1340000             -0.0000400        
  3    190.3400000             -0.0000710        
  4     26.9090000             -0.0072040        
  5     16.8039000              0.0429900        
  6     10.4957000             -0.1141280        
  7      3.9316800              0.3101060        
  8      2.4065300              0.0689160        
  9      1.0562800             -0.2137110        
 10      0.5710270             -1.4303860        
 11      0.2958580              0.8787700        
 12      0.1043250              1.8905350        
 13      0.0485630             -1.2450350        
S   13
  1   5675.2400000             -0.0000060        
  2    863.1340000             -0.0000510        
  3    190.3400000             -0.0001690        
  4     26.9090000             -0.0077740        
  5     16.8039000              0.0527550        
  6     10.4957000             -0.1563380        
  7      3.9316800              0.4515910        
  8      2.4065300              0.2384230        
  9      1.0562800             -1.1251000        
 10      0.5710270             -2.0104270        
 11      0.2958580              4.3180980        
 12      0.1043250             -2.3194350        
 13      0.0485630             -0.6481260        
S   13
  1   5675.2400000             -0.0000160        
  2    863.1340000              0.0000580        
  3    190.3400000             -0.0008910        
  4     26.9090000              0.0273980        
  5     16.8039000             -0.0769940        
  6     10.4957000              0.0179110        
  7      3.9316800             -0.0205690        
  8      2.4065300              1.4847690        
  9      1.0562800             -5.2993640        
 10      0.5710270              5.0797270        
 11      0.2958580             -0.0139520        
 12      0.1043250             -4.7172460        
 13      0.0485630              6.0430530        
S   1
  1      0.0223560              1.0000000        
P   10
  1    122.6140000              0.0000890        
  2      8.6017600              0.0431890        
  3      5.3756700             -0.1256900        
  4      2.8732600             -0.0984530        
  5      1.4314800              0.2616530        
  6      0.7585420              0.4684370        
  7      0.3983330              0.3431180        
  8      0.2005520              0.1015390        
  9      0.0942630              0.0077750        
 10      0.0439730              0.0014680        
P   10
  1    122.6140000             -0.0000290        
  2      8.6017600             -0.0132920        
  3      5.3756700              0.0402610        
  4      2.8732600              0.0278420        
  5      1.4314800             -0.0900280        
  6      0.7585420             -0.1740550        
  7      0.3983330             -0.1576400        
  8      0.2005520              0.0813280        
  9      0.0942630              0.4341340        
 10      0.0439730              0.4929950        
P   10
  1    122.6140000             -0.0000420        
  2      8.6017600             -0.0186700        
  3      5.3756700              0.0562710        
  4      2.8732600              0.0412580        
  5      1.4314800             -0.1303570        
  6      0.7585420             -0.2424890        
  7      0.3983330             -0.2520430        
  8      0.2005520              0.2222450        
  9      0.0942630              0.6873330        
 10      0.0439730              0.2793880        
P   10
  1    122.6140000             -0.0000720        
  2      8.6017600             -0.0353270        
  3      5.3756700              0.1073430        
  4      2.8732600              0.0781030        
  5      1.4314800             -0.2483300        
  6      0.7585420             -0.7742400        
  7      0.3983330              0.1204770        
  8      0.2005520              1.5143590        
  9      0.0942630             -0.4188840        
 10      0.0439730             -0.7176520        
P   10
  1    122.6140000             -0.0001010        
  2      8.6017600             -0.0557630        
  3      5.3756700              0.1714680        
  4      2.8732600              0.1546890        
  5      1.4314800             -0.7228250        
  6      0.7585420             -1.2765790        
  7      0.3983330              2.9768200        
  8      0.2005520             -1.0541120        
  9      0.0942630             -1.4600030        
 10      0.0439730              1.3306580        
P   1
  1      0.0202460              1.0000000        
D   9
  1     48.6431000              0.0001600        
  2     13.5835000              0.0015130        
  3      5.3945300             -0.0091330        
  4      1.8630000              0.0638690        
  5      1.0079200              0.1893790        
  6      0.5198200              0.2877480        
  7      0.2594550              0.3152610        
  8      0.1255900              0.2608760        
  9      0.0589320              0.1415580        
D   9
  1     48.6431000             -0.0001990        
  2     13.5835000             -0.0016270        
  3      5.3945300              0.0100510        
  4      1.8630000             -0.0817780        
  5      1.0079200             -0.2318160        
  6      0.5198200             -0.3431630        
  7      0.2594550             -0.1316050        
  8      0.1255900              0.3309010        
  9      0.0589320              0.5074600        
D   9
  1     48.6431000              0.0003110        
  2     13.5835000              0.0020970        
  3      5.3945300             -0.0135190        
  4      1.8630000              0.1372450        
  5      1.0079200              0.3797260        
  6      0.5198200              0.3322720        
  7      0.2594550             -0.5609850        
  8      0.1255900             -0.6443880        
  9      0.0589320              0.4851650        
D   9
  1     48.6431000             -0.0004680        
  2     13.5835000             -0.0028050        
  3      5.3945300              0.0199580        
  4      1.8630000             -0.2202750        
  5      1.0079200             -0.7531930        
  6      0.5198200              0.4522480        
  7      0.2594550              1.1905720        
  8      0.1255900             -1.2301770        
  9      0.0589320             -0.2159390        
D   1
  1      0.0262290              1.0000000        
F   1
  1      1.3601000              1.0000000        
F   1
  1      0.4291000              1.0000000        
F   1
  1      0.1354000              1.0000000        
G   1
  1      0.8169000              1.0000000        
G   1
  1      0.2490000              1.0000000        
H   1
  1      0.5010000              1.0000000        


name: cc-pVQZ-PP
description: VQZP Valence Quadruple Zeta + Polarization on All Atoms
elt: Nb
data:
NIOBIUM
S   13
  1   5729.3600000              0.0000080        
  2    898.7570000              0.0000520        
  3    203.1540000              0.0002160        
  4     29.0821000              0.0073960        
  5     18.1596000             -0.0552510        
  6     11.3420000              0.1632580        
  7      4.2245400             -0.3721490        
  8      2.6381700             -0.2827570        
  9      1.1509900              0.4840580        
 10      0.6250000              0.6333390        
 11      0.3244810              0.2343950        
 12      0.1141370              0.0132460        
 13      0.0524230             -0.0007750        
S   13
  1   5729.3600000             -0.0000030        
  2    898.7570000             -0.0000170        
  3    203.1540000             -0.0000750        
  4     29.0821000             -0.0022520        
  5     18.1596000              0.0172420        
  6     11.3420000             -0.0528630        
  7      4.2245400              0.1363550        
  8      2.6381700              0.0845410        
  9      1.1509900             -0.1912600        
 10      0.6250000             -0.3296300        
 11      0.3244810             -0.2097360        
 12      0.1141370              0.3537950        
 13      0.0524230              0.6495660        
S   13
  1   5729.3600000             -0.0000040        
  2    898.7570000             -0.0000460        
  3    203.1540000             -0.0000850        
  4     29.0821000             -0.0076920        
  5     18.1596000              0.0460280        
  6     11.3420000             -0.1222600        
  7      4.2245400              0.3382530        
  8      2.6381700              0.0701100        
  9      1.1509900             -0.2716550        
 10      0.6250000             -1.4798190        
 11      0.3244810              1.0436440        
 12      0.1141370              1.7512880        
 13      0.0524230             -1.2255670        
S   13
  1   5729.3600000             -0.0000080        
  2    898.7570000             -0.0000580        
  3    203.1540000             -0.0002260        
  4     29.0821000             -0.0074160        
  5     18.1596000              0.0539120        
  6     11.3420000             -0.1667540        
  7      4.2245400              0.5029010        
  8      2.6381700              0.2662620        
  9      1.1509900             -1.5007590        
 10      0.6250000             -1.5285370        
 11      0.3244810              4.2085080        
 12      0.1141370             -2.6574950        
 13      0.0524230             -0.1836000        
S   13
  1   5729.3600000             -0.0000200        
  2    898.7570000              0.0000500        
  3    203.1540000             -0.0009920        
  4     29.0821000              0.0264760        
  5     18.1596000             -0.0672280        
  6     11.3420000             -0.0180330        
  7      4.2245400              0.1081030        
  8      2.6381700              1.5653000        
  9      1.1509900             -6.7398560        
 10      0.6250000              7.9760920        
 11      0.3244810             -2.5603720        
 12      0.1141370             -2.9311650        
 13      0.0524230              4.7735390        
S   1
  1      0.0239040              1.0000000        
P   10
  1    138.4600000              0.0000870        
  2      9.3123800              0.0460850        
  3      5.8201500             -0.1347720        
  4      3.0589600             -0.1053350        
  5      1.5902700              0.2747760        
  6      0.8361380              0.4792360        
  7      0.4360320              0.3375730        
  8      0.2167160              0.0941580        
  9      0.1018830              0.0062330        
 10      0.0473870              0.0014690        
P   10
  1    138.4600000             -0.0000290        
  2      9.3123800             -0.0143860        
  3      5.8201500              0.0438130        
  4      3.0589600              0.0302870        
  5      1.5902700             -0.0963090        
  6      0.8361380             -0.1837030        
  7      0.4360320             -0.1496950        
  8      0.2167160              0.1031560        
  9      0.1018830              0.4396420        
 10      0.0473870              0.4785870        
P   10
  1    138.4600000             -0.0000430        
  2      9.3123800             -0.0210770        
  3      5.8201500              0.0638960        
  4      3.0589600              0.0466950        
  5      1.5902700             -0.1449560        
  6      0.8361380             -0.2742540        
  7      0.4360320             -0.2375990        
  8      0.2167160              0.2952600        
  9      0.1018830              0.6708660        
 10      0.0473870              0.2356770        
P   10
  1    138.4600000             -0.0000730        
  2      9.3123800             -0.0390570        
  3      5.8201500              0.1198810        
  4      3.0589600              0.0864220        
  5      1.5902700             -0.2891420        
  6      0.8361380             -0.8052000        
  7      0.4360320              0.2953950        
  8      0.2167160              1.4185360        
  9      0.1018830             -0.5209570        
 10      0.0473870             -0.6615440        
P   10
  1    138.4600000             -0.0001020        
  2      9.3123800             -0.0630370        
  3      5.8201500              0.1953600        
  4      3.0589600              0.1871900        
  5      1.5902700             -0.9029120        
  6      0.8361380             -1.0655850        
  7      0.4360320              3.0265000        
  8      0.2167160             -1.4246220        
  9      0.1018830             -1.1257930        
 10      0.0473870              1.2566670        
P   1
  1      0.0217480              1.0000000        
D   9
  1     55.5243000              0.0001800        
  2     15.8430000              0.0015650        
  3      5.7920600             -0.0100360        
  4      2.1776800              0.0585180        
  5      1.2209000              0.1897930        
  6      0.6445770              0.2945090        
  7      0.3278110              0.3174790        
  8      0.1609180              0.2524380        
  9      0.0761310              0.1316200        
D   9
  1     55.5243000             -0.0002210        
  2     15.8430000             -0.0016600        
  3      5.7920600              0.0108870        
  4      2.1776800             -0.0759490        
  5      1.2209000             -0.2327040        
  6      0.6445770             -0.3415990        
  7      0.3278110             -0.1222670        
  8      0.1609180              0.3328420        
  9      0.0761310              0.5027080        
D   9
  1     55.5243000              0.0003560        
  2     15.8430000              0.0023390        
  3      5.7920600             -0.0159450        
  4      2.1776800              0.1419710        
  5      1.2209000              0.4109560        
  6      0.6445770              0.3210380        
  7      0.3278110             -0.5989470        
  8      0.1609180             -0.6084580        
  9      0.0761310              0.4610850        
D   9
  1     55.5243000             -0.0005480        
  2     15.8430000             -0.0030070        
  3      5.7920600              0.0229940        
  4      2.1776800             -0.2487660        
  5      1.2209000             -0.7513270        
  6      0.6445770              0.5055700        
  7      0.3278110              1.1509160        
  8      0.1609180             -1.1909780        
  9      0.0761310             -0.2850970        
D   1
  1      0.0339110              1.0000000        
F   1
  1      1.8010000              1.0000000        
F   1
  1      0.5748000              1.0000000        
F   1
  1      0.1835000              1.0000000        
G   1
  1      1.0578000              1.0000000        
G   1
  1      0.3318000              1.0000000        
H   1
  1      0.6732000              1.0000000        


name: cc-pVQZ-PP
description: VQZP Valence Quadruple Zeta + Polarization on All Atoms
elt: Mo
data:
MOLYBDENUM
S   13
  1   6711.2300000              0.0000080        
  2    988.2620000              0.0000590        
  3    216.2910000              0.0002440        
  4     31.1617000              0.0077510        
  5     19.4654000             -0.0577500        
  6     12.1603000              0.1702780        
  7      4.5171000             -0.3983930        
  8      2.8203200             -0.2761780        
  9      1.2602800              0.5039470        
 10      0.6800130              0.6368170        
 11      0.3514060              0.2246810        
 12      0.1247460              0.0120130        
 13      0.0566870             -0.0007040        
S   13
  1   6711.2300000             -0.0000030        
  2    988.2620000             -0.0000190        
  3    216.2910000             -0.0000840        
  4     31.1617000             -0.0023280        
  5     19.4654000              0.0178340        
  6     12.1603000             -0.0546970        
  7      4.5171000              0.1452280        
  8      2.8203200              0.0805810        
  9      1.2602800             -0.1986470        
 10      0.6800130             -0.3318030        
 11      0.3514060             -0.1945790        
 12      0.1247460              0.3483100        
 13      0.0566870              0.6441110        
S   13
  1   6711.2300000             -0.0000050        
  2    988.2620000             -0.0000490        
  3    216.2910000             -0.0001130        
  4     31.1617000             -0.0076210        
  5     19.4654000              0.0466430        
  6     12.1603000             -0.1260310        
  7      4.5171000              0.3550690        
  8      2.8203200              0.0788460        
  9      1.2602800             -0.3292100        
 10      0.6800130             -1.4622420        
 11      0.3514060              1.1047470        
 12      0.1247460              1.6428490        
 13      0.0566870             -1.1446510        
S   13
  1   6711.2300000             -0.0000090        
  2    988.2620000             -0.0000660        
  3    216.2910000             -0.0002910        
  4     31.1617000             -0.0072570        
  5     19.4654000              0.0559090        
  6     12.1603000             -0.1790880        
  7      4.5171000              0.5626060        
  8      2.8203200              0.2990240        
  9      1.2602800             -1.8724510        
 10      0.6800130             -0.9933480        
 11      0.3514060              3.9567310        
 12      0.1247460             -2.7368330        
 13      0.0566870             -0.0070370        
S   13
  1   6711.2300000             -0.0000180        
  2    988.2620000             -0.0000170        
  3    216.2910000             -0.0008440        
  4     31.1617000              0.0129570        
  5     19.4654000             -0.0099490        
  6     12.1603000             -0.1236980        
  7      4.5171000              0.4468930        
  8      2.8203200              1.4039530        
  9      1.2602800             -7.7842940        
 10      0.6800130             10.2859540        
 11      0.3514060             -4.7884940        
 12      0.1247460             -1.2294860        
 13      0.0566870              3.4559250        
S   1
  1      0.0255690              1.0000000        
P   10
  1    152.9580000              0.0000890        
  2     10.0454000              0.0486580        
  3      6.2786900             -0.1429160        
  4      3.2529000             -0.1119240        
  5      1.7561900              0.2872550        
  6      0.9164400              0.4882670        
  7      0.4752100              0.3325040        
  8      0.2340410              0.0879450        
  9      0.1099870              0.0051370        
 10      0.0509000              0.0014690        
P   10
  1    152.9580000             -0.0000300        
  2     10.0454000             -0.0151180        
  3      6.2786900              0.0462370        
  4      3.2529000              0.0321610        
  5      1.7561900             -0.1003680        
  6      0.9164400             -0.1878280        
  7      0.4752100             -0.1412290        
  8      0.2340410              0.1129270        
  9      0.1099870              0.4365490        
 10      0.0509000              0.4735680        
P   10
  1    152.9580000             -0.0000460        
  2     10.0454000             -0.0234060        
  3      6.2786900              0.0713700        
  4      3.2529000              0.0523310        
  5      1.7561900             -0.1606860        
  6      0.9164400             -0.3056960        
  7      0.4752100             -0.2096950        
  8      0.2340410              0.3498440        
  9      0.1099870              0.6427110        
 10      0.0509000              0.2113020        
P   10
  1    152.9580000             -0.0000820        
  2     10.0454000             -0.0425660        
  3      6.2786900              0.1316610        
  4      3.2529000              0.1041920        
  5      1.7561900             -0.3540870        
  6      0.9164400             -0.8231200        
  7      0.4752100              0.4691120        
  8      0.2340410              1.3060670        
  9      0.1099870             -0.6005210        
 10      0.0509000             -0.6033790        
P   10
  1    152.9580000             -0.0001570        
  2     10.0454000             -0.0617300        
  3      6.2786900              0.1912730        
  4      3.2529000              0.3034920        
  5      1.7561900             -1.2601600        
  6      0.9164400             -0.6601690        
  7      0.4752100              2.9941100        
  8      0.2340410             -1.8628630        
  9      0.1099870             -0.6548950        
 10      0.0509000              1.0766410        
P   1
  1      0.0231980              1.0000000        
D   9
  1     64.0194000              0.0001670        
  2     17.5538000              0.0016530        
  3      6.5001600             -0.0132930        
  4      2.4048200              0.0670070        
  5      1.3421000              0.2091290        
  6      0.7078230              0.3096950        
  7      0.3603360              0.3139960        
  8      0.1770770              0.2323510        
  9      0.0836650              0.1119340        
D   9
  1     64.0194000             -0.0001970        
  2     17.5538000             -0.0017110        
  3      6.5001600              0.0142690        
  4      2.4048200             -0.0826730        
  5      1.3421000             -0.2573070        
  6      0.7078230             -0.3434210        
  7      0.3603360             -0.0548000        
  8      0.1770770              0.3765310        
  9      0.0836650              0.4797980        
D   9
  1     64.0194000              0.0003680        
  2     17.5538000              0.0022850        
  3      6.5001600             -0.0210710        
  4      2.4048200              0.1657440        
  5      1.3421000              0.4848470        
  6      0.7078230              0.2113940        
  7      0.3603360             -0.7066180        
  8      0.1770770             -0.4649570        
  9      0.0836650              0.5321680        
D   9
  1     64.0194000             -0.0003500        
  2     17.5538000             -0.0041070        
  3      6.5001600              0.0359670        
  4      2.4048200             -0.2938650        
  5      1.3421000             -0.8126500        
  6      0.7078230              0.8503400        
  7      0.3603360              0.8690250        
  8      0.1770770             -1.3237980        
  9      0.0836650              0.0049480        
D   1
  1      0.0370260              1.0000000        
F   1
  1      2.1810000              1.0000000        
F   1
  1      0.7026000              1.0000000        
F   1
  1      0.2263000              1.0000000        
G   1
  1      1.2568000              1.0000000        
G   1
  1      0.4007000              1.0000000        
H   1
  1      0.8384000              1.0000000        


name: cc-pVQZ-PP
description: VQZP Valence Quadruple Zeta + Polarization on All Atoms
elt: Tc
data:
TECHNETIUM
S   13
  1   7011.0800000              0.0000090        
  2   1046.1000000              0.0000670        
  3    230.4930000              0.0002740        
  4     33.3218000              0.0082370        
  5     20.8105000             -0.0606330        
  6     12.9975000              0.1778160        
  7      4.8305100             -0.4220620        
  8      3.0155200             -0.2693360        
  9      1.3706200              0.5218430        
 10      0.7358360              0.6380050        
 11      0.3788160              0.2160910        
 12      0.1335490              0.0112120        
 13      0.0601560             -0.0003020        
S   13
  1   7011.0800000             -0.0000030        
  2   1046.1000000             -0.0000220        
  3    230.4930000             -0.0000930        
  4     33.3218000             -0.0024160        
  5     20.8105000              0.0183200        
  6     12.9975000             -0.0560010        
  7      4.8305100              0.1511880        
  8      3.0155200              0.0755970        
  9      1.3706200             -0.2027390        
 10      0.7358360             -0.3248550        
 11      0.3788160             -0.1823170        
 12      0.1335490              0.3372970        
 13      0.0601560              0.6378330        
S   13
  1   7011.0800000             -0.0000060        
  2   1046.1000000             -0.0000540        
  3    230.4930000             -0.0001390        
  4     33.3218000             -0.0077180        
  5     20.8105000              0.0477700        
  6     12.9975000             -0.1303120        
  7      4.8305100              0.3691480        
  8      3.0155200              0.0873940        
  9      1.3706200             -0.3819580        
 10      0.7358360             -1.4316690        
 11      0.3788160              1.1436500        
 12      0.1335490              1.5516400        
 13      0.0601560             -1.0701580        
S   13
  1   7011.0800000             -0.0000110        
  2   1046.1000000             -0.0000760        
  3    230.4930000             -0.0003310        
  4     33.3218000             -0.0077450        
  5     20.8105000              0.0590240        
  6     12.9975000             -0.1882670        
  7      4.8305100              0.5902840        
  8      3.0155200              0.3330380        
  9      1.3706200             -2.0874360        
 10      0.7358360             -0.6503990        
 11      0.3788160              3.7087420        
 12      0.1335490             -2.6700620        
 13      0.0601560              0.0200220        
S   13
  1   7011.0800000             -0.0000160        
  2   1046.1000000             -0.0001130        
  3    230.4930000             -0.0005110        
  4     33.3218000             -0.0109830        
  5     20.8105000              0.0864930        
  6     12.9975000             -0.2861790        
  7      4.8305100              1.0012380        
  8      3.0155200              0.7225520        
  9      1.3706200             -7.6503270        
 10      0.7358360             10.7993970        
 11      0.3788160             -5.5917980        
 12      0.1335490             -0.4226910        
 13      0.0601560              2.7545010        
S   1
  1      0.0269230              1.0000000        
P   10
  1    165.0311000              0.0000940        
  2     10.7957000              0.0509640        
  3      6.7484100             -0.1500490        
  4      3.4824900             -0.1153530        
  5      1.9185300              0.2970100        
  6      1.0018800              0.4901870        
  7      0.5221550              0.3265400        
  8      0.2608820              0.0873840        
  9      0.1212740              0.0060650        
 10      0.0554020              0.0011260        
P   10
  1    165.0311000             -0.0000310        
  2     10.7957000             -0.0155010        
  3      6.7484100              0.0475240        
  4      3.4824900              0.0326450        
  5      1.9185300             -0.1022890        
  6      1.0018800             -0.1840740        
  7      0.5221550             -0.1346980        
  8      0.2608820              0.1036920        
  9      0.1212740              0.4224280        
 10      0.0554020              0.4828080        
P   10
  1    165.0311000             -0.0000510        
  2     10.7957000             -0.0254430        
  3      6.7484100              0.0778710        
  4      3.4824900              0.0573030        
  5      1.9185300             -0.1772360        
  6      1.0018800             -0.3257380        
  7      0.5221550             -0.1883490        
  8      0.2608820              0.3694040        
  9      0.1212740              0.6276010        
 10      0.0554020              0.2078840        
P   10
  1    165.0311000             -0.0000970        
  2     10.7957000             -0.0448590        
  3      6.7484100              0.1386420        
  4      3.4824900              0.1301660        
  5      1.9185300             -0.4343680        
  6      1.0018800             -0.7982230        
  7      0.5221550              0.5413080        
  8      0.2608820              1.2254840        
  9      0.1212740             -0.5919300        
 10      0.0554020             -0.5926290        
P   10
  1    165.0311000             -0.0002000        
  2     10.7957000             -0.0617730        
  3      6.7484100              0.1884450        
  4      3.4824900              0.4209310        
  5      1.9185300             -1.6231020        
  6      1.0018800             -0.2356560        
  7      0.5221550              2.8630840        
  8      0.2608820             -2.0324030        
  9      0.1212740             -0.4381220        
 10      0.0554020              0.9624810        
P   1
  1      0.0248480              1.0000000        
D   9
  1     71.1813000              0.0001750        
  2     19.5319000              0.0017220        
  3      7.2374300             -0.0138320        
  4      2.6113400              0.0740660        
  5      1.4773400              0.2185740        
  6      0.7880050              0.3134600        
  7      0.4049350              0.3079090        
  8      0.2003640              0.2213540        
  9      0.0949110              0.1051100        
D   9
  1     71.1813000             -0.0001940        
  2     19.5319000             -0.0017430        
  3      7.2374300              0.0144030        
  4      2.6113400             -0.0844590        
  5      1.4773400             -0.2669030        
  6      0.7880050             -0.3360340        
  7      0.4049350             -0.0315050        
  8      0.2003640              0.3870680        
  9      0.0949110              0.4744620        
D   9
  1     71.1813000              0.0003950        
  2     19.5319000              0.0025090        
  3      7.2374300             -0.0230280        
  4      2.6113400              0.1928110        
  5      1.4773400              0.5425200        
  6      0.7880050              0.1303490        
  7      0.4049350             -0.7811880        
  8      0.2003640             -0.3613460        
  9      0.0949110              0.5512450        
D   9
  1     71.1813000             -0.0002340        
  2     19.5319000             -0.0055190        
  3      7.2374300              0.0446410        
  4      2.6113400             -0.3882320        
  5      1.4773400             -0.8042540        
  6      0.7880050              1.1596620        
  7      0.4049350              0.5374260        
  8      0.2003640             -1.3024870        
  9      0.0949110              0.1537280        
D   1
  1      0.0419450              1.0000000        
F   1
  1      2.5389000              1.0000000        
F   1
  1      0.8280000              1.0000000        
F   1
  1      0.2700000              1.0000000        
G   1
  1      1.4683000              1.0000000        
G   1
  1      0.4823000              1.0000000        
H   1
  1      0.9932000              1.0000000        


name: cc-pVQZ-PP
description: VQZP Valence Quadruple Zeta + Polarization on All Atoms
elt: Ru
data:
RUTHENIUM
S   13
  1   7269.8900000              0.0000110        
  2   1087.8400000              0.0000780        
  3    241.7870000              0.0003110        
  4     35.4525000              0.0087340        
  5     22.1415000             -0.0636040        
  6     13.8292000              0.1857150        
  7      5.1321300             -0.4544900        
  8      3.1705900             -0.2563420        
  9      1.4948700              0.5330450        
 10      0.8005300              0.6399720        
 11      0.4116380              0.2152730        
 12      0.1424170              0.0112610        
 13      0.0635630             -0.0000950        
S   13
  1   7269.8900000             -0.0000040        
  2   1087.8400000             -0.0000250        
  3    241.7870000             -0.0001060        
  4     35.4525000             -0.0024970        
  5     22.1415000              0.0188420        
  6     13.8292000             -0.0575810        
  7      5.1321300              0.1604580        
  8      3.1705900              0.0691260        
  9      1.4948700             -0.2039790        
 10      0.8005300             -0.3204980        
 11      0.4116380             -0.1746560        
 12      0.1424170              0.3326960        
 13      0.0635630              0.6303210        
S   13
  1   7269.8900000             -0.0000070        
  2   1087.8400000             -0.0000650        
  3    241.7870000             -0.0001740        
  4     35.4525000             -0.0083680        
  5     22.1415000              0.0517850        
  6     13.8292000             -0.1417710        
  7      5.1321300              0.4144270        
  8      3.1705900              0.0784730        
  9      1.4948700             -0.4446880        
 10      0.8005300             -1.4550350        
 11      0.4116380              1.2722320        
 12      0.1424170              1.4072450        
 13      0.0635630             -0.9996440        
S   13
  1   7269.8900000             -0.0000120        
  2   1087.8400000             -0.0000840        
  3    241.7870000             -0.0003620        
  4     35.4525000             -0.0076580        
  5     22.1415000              0.0584390        
  6     13.8292000             -0.1862370        
  7      5.1321300              0.5749660        
  8      3.1705900              0.4015520        
  9      1.4948700             -2.1997860        
 10      0.8005300             -0.4355220        
 11      0.4116380              3.4276070        
 12      0.1424170             -2.4454790        
 13      0.0635630             -0.1499430        
S   13
  1   7269.8900000             -0.0000160        
  2   1087.8400000             -0.0001810        
  3    241.7870000             -0.0003320        
  4     35.4525000             -0.0254290        
  5     22.1415000              0.1443970        
  6     13.8292000             -0.3836440        
  7      5.1321300              1.3902860        
  8      3.1705900              0.1271540        
  9      1.4948700             -6.8551520        
 10      0.8005300              9.6961050        
 11      0.4116380             -4.7399940        
 12      0.1424170             -0.9214660        
 13      0.0635630              3.0543570        
S   1
  1      0.0282960              1.0000000        
P   10
  1    174.3070000              0.0001030        
  2     11.5040000              0.0539940        
  3      7.1917600             -0.1610120        
  4      3.5749800             -0.1290380        
  5      2.1307800              0.3147630        
  6      1.0892200              0.5041410        
  7      0.5586370              0.3252710        
  8      0.2704770              0.0787020        
  9      0.1238960              0.0037630        
 10      0.0558230              0.0012860        
P   10
  1    174.3070000             -0.0000330        
  2     11.5040000             -0.0157130        
  3      7.1917600              0.0487720        
  4      3.5749800              0.0351930        
  5      2.1307800             -0.1032230        
  6      1.0892200             -0.1811150        
  7      0.5586370             -0.1243880        
  8      0.2704770              0.1120280        
  9      0.1238960              0.4225110        
 10      0.0558230              0.4772310        
P   10
  1    174.3070000             -0.0000610        
  2     11.5040000             -0.0287850        
  3      7.1917600              0.0893050        
  4      3.5749800              0.0707170        
  5      2.1307800             -0.2047470        
  6      1.0892200             -0.3715110        
  7      0.5586370             -0.1436350        
  8      0.2704770              0.4622210        
  9      0.1238960              0.5855810        
 10      0.0558230              0.1507490        
P   10
  1    174.3070000              0.0001120        
  2     11.5040000              0.0492620        
  3      7.1917600             -0.1538200        
  4      3.5749800             -0.1731520        
  5      2.1307800              0.5309750        
  6      1.0892200              0.8176260        
  7      0.5586370             -0.7867320        
  8      0.2704770             -1.0474860        
  9      0.1238960              0.7549080        
 10      0.0558230              0.4632510        
P   10
  1    174.3070000             -0.0002500        
  2     11.5040000             -0.0629920        
  3      7.1917600              0.1916210        
  4      3.5749800              0.6528290        
  5      2.1307800             -2.1533740        
  6      1.0892200              0.4094420        
  7      0.5586370              2.4570950        
  8      0.2704770             -2.2868480        
  9      0.1238960              0.0777690        
 10      0.0558230              0.7656040        
P   1
  1      0.0248420              1.0000000        
D   9
  1     75.3751000              0.0001800        
  2     19.8901000              0.0020840        
  3      7.8792400             -0.0186710        
  4      2.9083400              0.0780540        
  5      1.6388300              0.2263280        
  6      0.8757300              0.3171000        
  7      0.4504830              0.3050360        
  8      0.2227700              0.2151500        
  9      0.1053420              0.0997580        
D   9
  1     75.3751000             -0.0002030        
  2     19.8901000             -0.0020860        
  3      7.8792400              0.0194280        
  4      2.9083400             -0.0871060        
  5      1.6388300             -0.2864130        
  6      0.8757300             -0.3319080        
  7      0.4504830             -0.0021210        
  8      0.2227700              0.4023550        
  9      0.1053420              0.4543320        
D   9
  1     75.3751000             -0.0003550        
  2     19.8901000             -0.0031930        
  3      7.8792400              0.0319560        
  4      2.9083400             -0.1855990        
  5      1.6388300             -0.5831850        
  6      0.8757300             -0.0727660        
  7      0.4504830              0.7987070        
  8      0.2227700              0.3016360        
  9      0.1053420             -0.5409680        
D   9
  1     75.3751000             -0.0001820        
  2     19.8901000             -0.0072830        
  3      7.8792400              0.0616630        
  4      2.9083400             -0.4441680        
  5      1.6388300             -0.7998390        
  6      0.8757300              1.3061620        
  7      0.4504830              0.3470880        
  8      0.2227700             -1.2223020        
  9      0.1053420              0.1744000        
D   1
  1      0.0464550              1.0000000        
F   1
  1      2.8980000              1.0000000        
F   1
  1      0.9588000              1.0000000        
F   1
  1      0.3172000              1.0000000        
G   1
  1      1.7100000              1.0000000        
G   1
  1      0.5778000              1.0000000        
H   1
  1      1.1646000              1.0000000        


name: cc-pVQZ-PP
description: VQZP Valence Quadruple Zeta + Polarization on All Atoms
elt: Rh
data:
RHODIUM
S   13
  1   7374.2200000              0.0000130        
  2   1114.7200000              0.0000920        
  3    249.9380000              0.0003570        
  4     37.5315000              0.0091740        
  5     23.4385000             -0.0666920        
  6     14.6379000              0.1956740        
  7      5.5542100             -0.4574820        
  8      3.4224200             -0.2746970        
  9      1.6492800              0.5224540        
 10      0.8832260              0.6524920        
 11      0.4519700              0.2257080        
 12      0.1530060              0.0117950        
 13      0.0678490             -0.0001350        
S   13
  1   7374.2200000             -0.0000040        
  2   1114.7200000             -0.0000290        
  3    249.9380000             -0.0001190        
  4     37.5315000             -0.0025760        
  5     23.4385000              0.0194110        
  6     14.6379000             -0.0596780        
  7      5.5542100              0.1589680        
  8      3.4224200              0.0738260        
  9      1.6492800             -0.1968910        
 10      0.8832260             -0.3141660        
 11      0.4519700             -0.1768790        
 12      0.1530060              0.3157110        
 13      0.0678490              0.6247220        
S   13
  1   7374.2200000             -0.0000090        
  2   1114.7200000             -0.0000760        
  3    249.9380000             -0.0002050        
  4     37.5315000             -0.0086430        
  5     23.4385000              0.0537070        
  6     14.6379000             -0.1483390        
  7      5.5542100              0.4122880        
  8      3.4224200              0.1007430        
  9      1.6492800             -0.4427320        
 10      0.8832260             -1.4323570        
 11      0.4519700              1.2199820        
 12      0.1530060              1.3428560        
 13      0.0678490             -0.8361540        
S   13
  1   7374.2200000             -0.0000140        
  2   1114.7200000             -0.0000950        
  3    249.9380000             -0.0003820        
  4     37.5315000             -0.0080940        
  5     23.4385000              0.0598120        
  6     14.6379000             -0.1876680        
  7      5.5542100              0.5255080        
  8      3.4224200              0.4667230        
  9      1.6492800             -2.0232050        
 10      0.8832260             -0.6914780        
 11      0.4519700              3.3320100        
 12      0.1530060             -1.9922090        
 13      0.0678490             -0.6067250        
S   13
  1   7374.2200000             -0.0000200        
  2   1114.7200000             -0.0002080        
  3    249.9380000             -0.0003950        
  4     37.5315000             -0.0264950        
  5     23.4385000              0.1507880        
  6     14.6379000             -0.4024970        
  7      5.5542100              1.3689580        
  8      3.4224200              0.2373890        
  9      1.6492800             -6.6015610        
 10      0.8832260              8.6166140        
 11      0.4519700             -3.5310110        
 12      0.1530060             -1.7537080        
 13      0.0678490              3.5259850        
S   1
  1      0.0299320              1.0000000        
P   10
  1    186.8620000              0.0001090        
  2     12.3059000              0.0560310        
  3      7.6935800             -0.1675940        
  4      3.7795600             -0.1363730        
  5      2.3232600              0.3251810        
  6      1.1847300              0.5055390        
  7      0.6092370              0.3232040        
  8      0.2968270              0.0788210        
  9      0.1372710              0.0040650        
 10      0.0621260              0.0012500        
P   10
  1    186.8620000             -0.0000350        
  2     12.3059000             -0.0167420        
  3      7.6935800              0.0520850        
  4      3.7795600              0.0385720        
  5      2.3232600             -0.1095340        
  6      1.1847300             -0.1882860        
  7      0.6092370             -0.1245600        
  8      0.2968270              0.1171100        
  9      0.1372710              0.4230670        
 10      0.0621260              0.4736850        
P   10
  1    186.8620000             -0.0000680        
  2     12.3059000             -0.0314700        
  3      7.6935800              0.0979240        
  4      3.7795600              0.0812320        
  5      2.3232600             -0.2287880        
  6      1.1847300             -0.4007930        
  7      0.6092370             -0.1097740        
  8      0.2968270              0.4791740        
  9      0.1372710              0.5581190        
 10      0.0621260              0.1517420        
P   10
  1    186.8620000              0.0001220        
  2     12.3059000              0.0521280        
  3      7.6935800             -0.1624920        
  4      3.7795600             -0.2125080        
  5      2.3232600              0.6239090        
  6      1.1847300              0.7831600        
  7      0.6092370             -0.8575390        
  8      0.2968270             -0.9666410        
  9      0.1372710              0.7421150        
 10      0.0621260              0.4634940        
P   10
  1    186.8620000              0.0002540        
  2     12.3059000              0.0713490        
  3      7.6935800             -0.2177380        
  4      3.7795600             -0.7639570        
  5      2.3232600              2.4866360        
  6      1.1847300             -0.8314040        
  7      0.6092370             -2.1695430        
  8      0.2968270              2.2490950        
  9      0.1372710             -0.1275420        
 10      0.0621260             -0.7284670        
P   1
  1      0.0276060              1.0000000        
D   9
  1     80.6204000              0.0002370        
  2     22.1259000              0.0022370        
  3      7.9583400             -0.0176500        
  4      3.1956900              0.0788370        
  5      1.8113700              0.2317500        
  6      0.9713830              0.3192230        
  7      0.5017970              0.3020620        
  8      0.2490680              0.2104350        
  9      0.1179700              0.0966100        
D   9
  1     80.6204000             -0.0002760        
  2     22.1259000             -0.0023470        
  3      7.9583400              0.0190780        
  4      3.1956900             -0.0936260        
  5      1.8113700             -0.3085340        
  6      0.9713830             -0.3262390        
  7      0.5017970              0.0310980        
  8      0.2490680              0.4099490        
  9      0.1179700              0.4368930        
D   9
  1     80.6204000             -0.0004280        
  2     22.1259000             -0.0036360        
  3      7.9583400              0.0308490        
  4      3.1956900             -0.1829010        
  5      1.8113700             -0.6144640        
  6      0.9713830             -0.0158290        
  7      0.5017970              0.8110440        
  8      0.2490680              0.2541130        
  9      0.1179700             -0.5519210        
D   9
  1     80.6204000             -0.0002410        
  2     22.1259000             -0.0084470        
  3      7.9583400              0.0698380        
  4      3.1956900             -0.5173290        
  5      1.8113700             -0.7709280        
  6      0.9713830              1.4511960        
  7      0.5017970              0.1698730        
  8      0.2490680             -1.1898870        
  9      0.1179700              0.2468430        
D   1
  1      0.0519500              1.0000000        
F   1
  1      3.3131000              1.0000000        
F   1
  1      1.1058000              1.0000000        
F   1
  1      0.3691000              1.0000000        
G   1
  1      1.9565000              1.0000000        
G   1
  1      0.6740000              1.0000000        
H   1
  1      1.3436000              1.0000000        


name: cc-pVQZ-PP
description: VQZP Valence Quadruple Zeta + Polarization on All Atoms
elt: Pd
data:
PALLADIUM
S   13
  1   7844.8900000              0.0000150        
  2   1169.5300000              0.0001070        
  3    259.6440000              0.0004120        
  4     39.2211000              0.0098640        
  5     24.4934000             -0.0719220        
  6     15.2969000              0.2128330        
  7      6.0389600             -0.4542200        
  8      3.7622800             -0.2996210        
  9      1.8071000              0.5046120        
 10      0.9743050              0.6622770        
 11      0.4972030              0.2406810        
 12      0.1620200              0.0126460        
 13      0.0714600             -0.0004720        
S   13
  1   7844.8900000             -0.0000050        
  2   1169.5300000             -0.0000330        
  3    259.6440000             -0.0001350        
  4     39.2211000             -0.0027160        
  5     24.4934000              0.0205170        
  6     15.2969000             -0.0636890        
  7      6.0389600              0.1551180        
  8      3.7622800              0.0800520        
  9      1.8071000             -0.1865700        
 10      0.9743050             -0.3054990        
 11      0.4972030             -0.1813090        
 12      0.1620200              0.3039740        
 13      0.0714600              0.6177640        
S   13
  1   7844.8900000             -0.0000100        
  2   1169.5300000             -0.0000840        
  3    259.6440000             -0.0002300        
  4     39.2211000             -0.0090740        
  5     24.4934000              0.0563390        
  6     15.2969000             -0.1563130        
  7      6.0389600              0.3943670        
  8      3.7622800              0.1184910        
  9      1.8071000             -0.3911140        
 10      0.9743050             -1.3967980        
 11      0.4972030              1.1011240        
 12      0.1620200              1.3128540        
 13      0.0714600             -0.6576300        
S   13
  1   7844.8900000              0.0000020        
  2   1169.5300000              0.0000150        
  3    259.6440000              0.0000580        
  4     39.2211000              0.0012900        
  5     24.4934000             -0.0092020        
  6     15.2969000              0.0283700        
  7      6.0389600             -0.0690030        
  8      3.7622800             -0.0717590        
  9      1.8071000              0.2549580        
 10      0.9743050              0.1451930        
 11      0.4972030             -0.4647570        
 12      0.1620200              0.2244370        
 13      0.0714600              0.1291750        
S   13
  1   7844.8900000             -0.0000150        
  2   1169.5300000             -0.0001090        
  3    259.6440000             -0.0004080        
  4     39.2211000             -0.0090780        
  5     24.4934000              0.0648030        
  6     15.2969000             -0.1999130        
  7      6.0389600              0.4866890        
  8      3.7622800              0.5061480        
  9      1.8071000             -1.8058520        
 10      0.9743050             -1.0058890        
 11      0.4972030              3.2670160        
 12      0.1620200             -1.5764190        
 13      0.0714600             -0.9382990        
S   1
  1      0.0313100              1.0000000        
P   10
  1     98.8243000              0.0003180        
  2     27.9859000             -0.0046710        
  3     17.4873000              0.0292410        
  4      6.7863800             -0.1992820        
  5      1.9878800              0.4101390        
  6      1.0657300              0.4471440        
  7      0.5838290              0.2362210        
  8      0.3146360              0.0624690        
  9      0.1357370              0.0060750        
 10      0.0602770             -0.0000850        
P   10
  1     98.8243000             -0.0000510        
  2     27.9859000              0.0006780        
  3     17.4873000             -0.0066790        
  4      6.7863800              0.0544150        
  5      1.9878800             -0.1382020        
  6      1.0657300             -0.1410000        
  7      0.5838290             -0.1010710        
  8      0.3146360              0.1265930        
  9      0.1357370              0.4211200        
 10      0.0602770              0.4722370        
P   10
  1     98.8243000             -0.0001660        
  2     27.9859000              0.0022660        
  3     17.4873000             -0.0161180        
  4      6.7863800              0.1219530        
  5      1.9878800             -0.3403790        
  6      1.0657300             -0.3281810        
  7      0.5838290             -0.0330520        
  8      0.3146360              0.5487950        
  9      0.1357370              0.5332220        
 10      0.0602770              0.0994340        
P   10
  1     98.8243000              0.0004190        
  2     27.9859000             -0.0058840        
  3     17.4873000              0.0317000        
  4      6.7863800             -0.2240400        
  5      1.9878800              0.8656960        
  6      1.0657300              0.3452800        
  7      0.5838290             -0.9931720        
  8      0.3146360             -0.6775520        
  9      0.1357370              0.7731840        
 10      0.0602770              0.3765310        
P   10
  1     98.8243000              0.0000090        
  2     27.9859000             -0.0013240        
  3     17.4873000              0.0372040        
  4      6.7863800             -0.3882460        
  5      1.9878800              2.6384130        
  6      1.0657300             -2.7457290        
  7      0.5838290             -0.6384020        
  8      0.3146360              1.9045610        
  9      0.1357370             -0.1954810        
 10      0.0602770             -0.6798620        
P   1
  1      0.0265400              1.0000000        
D   9
  1     78.3406000              0.0003190        
  2     21.0235000              0.0031690        
  3      7.5187300             -0.0301280        
  4      3.6893300              0.0820580        
  5      2.0193400              0.2405330        
  6      1.0717600              0.3254140        
  7      0.5516620              0.3009480        
  8      0.2739330              0.2050090        
  9      0.1301110              0.0921770        
D   9
  1     78.3406000             -0.0003900        
  2     21.0235000             -0.0033600        
  3      7.5187300              0.0334560        
  4      3.6893300             -0.0998880        
  5      2.0193400             -0.3344540        
  6      1.0717600             -0.3267360        
  7      0.5516620              0.0663700        
  8      0.2739330              0.4205140        
  9      0.1301110              0.4170070        
D   9
  1     78.3406000             -0.0005710        
  2     21.0235000             -0.0049650        
  3      7.5187300              0.0523140        
  4      3.6893300             -0.1757260        
  5      2.0193400             -0.6558300        
  6      1.0717600              0.0297190        
  7      0.5516620              0.8321610        
  8      0.2739330              0.1960240        
  9      0.1301110             -0.5651970        
D   9
  1     78.3406000             -0.0004130        
  2     21.0235000             -0.0116470        
  3      7.5187300              0.1255530        
  4      3.6893300             -0.5684920        
  5      2.0193400             -0.7972550        
  6      1.0717600              1.5702270        
  7      0.5516620              0.0164980        
  8      0.2739330             -1.1631360        
  9      0.1301110              0.3227120        
D   1
  1      0.0574730              1.0000000        
F   1
  1      3.7196000              1.0000000        
F   1
  1      1.2537000              1.0000000        
F   1
  1      0.4226000              1.0000000        
G   1
  1      2.2230000              1.0000000        
G   1
  1      0.7801000              1.0000000        
H   1
  1      1.5307000              1.0000000        


name: cc-pVQZ-PP
description: VQZP Valence Quadruple Zeta + Polarization on All Atoms
elt: Ag
data:
SILVER
S   13
  1   8123.1400000              0.0000150        
  2   1213.3500000              0.0001100        
  3    268.3390000              0.0004200        
  4     37.7949000              0.0131810        
  5     23.5569000             -0.1045750        
  6     14.6887000              0.3282440        
  7      6.8550100             -0.5360540        
  8      4.1501000             -0.3312650        
  9      1.9670800              0.5220930        
 10      1.0555800              0.6769540        
 11      0.5356910              0.2298530        
 12      0.1714340              0.0099980        
 13      0.0751230              0.0000040        
S   13
  1   8123.1400000             -0.0000050        
  2   1213.3500000             -0.0000320        
  3    268.3390000             -0.0001350        
  4     37.7949000             -0.0033140        
  5     23.5569000              0.0279050        
  6     14.6887000             -0.0929070        
  7      6.8550100              0.1697180        
  8      4.1501000              0.0874880        
  9      1.9670800             -0.1802730        
 10      1.0555800             -0.2987180        
 11      0.5356910             -0.1766820        
 12      0.1714340              0.2949860        
 13      0.0751230              0.6098960        
S   13
  1   8123.1400000             -0.0000090        
  2   1213.3500000             -0.0000750        
  3    268.3390000             -0.0002150        
  4     37.7949000             -0.0098780        
  5     23.5569000              0.0689300        
  6     14.6887000             -0.2095320        
  7      6.8550100              0.4003210        
  8      4.1501000              0.1121400        
  9      1.9670800             -0.3203310        
 10      1.0555800             -1.2009440        
 11      0.5356910              0.7920340        
 12      0.1714340              1.3257180        
 13      0.0751230             -0.3968510        
S   13
  1   8123.1400000             -0.0000160        
  2   1213.3500000             -0.0001110        
  3    268.3390000             -0.0004430        
  4     37.7949000             -0.0111380        
  5     23.5569000              0.0911750        
  6     14.6887000             -0.3069920        
  7      6.8550100              0.5628120        
  8      4.1501000              0.5281440        
  9      1.9670800             -1.6646220        
 10      1.0555800             -1.2981790        
 11      0.5356910              3.2811190        
 12      0.1714340             -1.1821200        
 13      0.0751230             -1.2688480        
S   13
  1   8123.1400000             -0.0000260        
  2   1213.3500000             -0.0001440        
  3    268.3390000             -0.0008240        
  4     37.7949000             -0.0083010        
  5     23.5569000              0.1039930        
  6     14.6887000             -0.4235890        
  7      6.8550100              0.8799960        
  8      4.1501000              1.1771790        
  9      1.9670800             -6.5454940        
 10      1.0555800              6.9751850        
 11      0.5356910             -1.6693400        
 12      0.1714340             -2.9472570        
 13      0.0751230              4.1809470        
S   1
  1      0.0327140              1.0000000        
P   10
  1     99.5339000              0.0002930        
  2     24.3926000             -0.0086430        
  3     15.2691000              0.0626310        
  4      7.3895000             -0.2546790        
  5      2.1891400              0.4153370        
  6      1.1641300              0.4712950        
  7      0.6136600              0.2399810        
  8      0.3066080              0.0459130        
  9      0.1363460              0.0026410        
 10      0.0609370              0.0004260        
P   10
  1     99.5339000             -0.0000460        
  2     24.3926000              0.0014650        
  3     15.2691000             -0.0143630        
  4      7.3895000              0.0661260        
  5      2.1891400             -0.1305340        
  6      1.1641300             -0.1506930        
  7      0.6136600             -0.0888000        
  8      0.3066080              0.1440160        
  9      0.1363460              0.4270630        
 10      0.0609370              0.4565880        
P   10
  1     99.5339000             -0.0001390        
  2     24.3926000              0.0039750        
  3     15.2691000             -0.0321780        
  4      7.3895000              0.1419020        
  5      2.1891400             -0.3013970        
  6      1.1641300             -0.3496070        
  7      0.6136600              0.0078870        
  8      0.3066080              0.5448030        
  9      0.1363460              0.5057240        
 10      0.0609370              0.0982270        
P   10
  1     99.5339000             -0.0003560        
  2     24.3926000              0.0094120        
  3     15.2691000             -0.0644850        
  4      7.3895000              0.2789050        
  5      2.1891400             -0.8354180        
  6      1.1641300             -0.4395730        
  7      0.6136600              1.1479170        
  8      0.3066080              0.5663380        
  9      0.1363460             -0.8183880        
 10      0.0609370             -0.3034240        
P   10
  1     99.5339000             -0.0000650        
  2     24.3926000             -0.0044780        
  3     15.2691000              0.0834410        
  4      7.3895000             -0.4753380        
  5      2.1891400              2.5592720        
  6      1.1641300             -2.4904940        
  7      0.6136600             -0.6965260        
  8      0.3066080              1.9699180        
  9      0.1363460             -0.4364670        
 10      0.0609370             -0.5794010        
P   1
  1      0.0269680              1.0000000        
D   9
  1     94.2866000              0.0002750        
  2     26.0504000              0.0024600        
  3      8.5332100             -0.0240320        
  4      4.1393000              0.0638430        
  5      2.3676000              0.2247680        
  6      1.2934300              0.3195440        
  7      0.6854690              0.3060530        
  8      0.3511500              0.2131570        
  9      0.1722770              0.0957390        
D   9
  1     94.2866000             -0.0003860        
  2     26.0504000             -0.0030490        
  3      8.5332100              0.0312650        
  4      4.1393000             -0.0929530        
  5      2.3676000             -0.3825950        
  6      1.2934300             -0.3670700        
  7      0.6854690              0.1100820        
  8      0.3511500              0.4598890        
  9      0.1722770              0.3715490        
D   9
  1     94.2866000             -0.0004640        
  2     26.0504000             -0.0043970        
  3      8.5332100              0.0475130        
  4      4.1393000             -0.1523550        
  5      2.3676000             -0.7265610        
  6      1.2934300              0.0858510        
  7      0.6854690              0.9312950        
  8      0.3511500              0.0992390        
  9      0.1722770             -0.6326340        
D   9
  1     94.2866000             -0.0002070        
  2     26.0504000             -0.0112610        
  3      8.5332100              0.1297190        
  4      4.1393000             -0.6288980        
  5      2.3676000             -0.8758070        
  6      1.2934300              1.8842660        
  7      0.6854690             -0.2016960        
  8      0.3511500             -1.2470160        
  9      0.1722770              0.5101280        
D   1
  1      0.0788950              1.0000000        
F   1
  1      4.1942000              1.0000000        
F   1
  1      1.4253000              1.0000000        
F   1
  1      0.4844000              1.0000000        
G   1
  1      2.5305000              1.0000000        
G   1
  1      0.9067000              1.0000000        
H   1
  1      1.7423000              1.0000000        


name: cc-pVQZ-PP
description: VQZP Valence Quadruple Zeta + Polarization on All Atoms
elt: Cd
data:
CADMIUM
S   13
  1   8793.0000000              0.0000180        
  2   1304.3500000              0.0001320        
  3    286.9300000              0.0005050        
  4     40.9458000              0.0135020        
  5     25.4342000             -0.1022910        
  6     15.8264000              0.3144790        
  7      7.0915300             -0.5633230        
  8      4.4135500             -0.2766280        
  9      1.9778500              0.5888700        
 10      1.0595900              0.6409640        
 11      0.5428770              0.1862320        
 12      0.1790010              0.0058780        
 13      0.0775800             -0.0011090        
S   13
  1   8793.0000000             -0.0000060        
  2   1304.3500000             -0.0000390        
  3    286.9300000             -0.0001620        
  4     40.9458000             -0.0035000        
  5     25.4342000              0.0277310        
  6     15.8264000             -0.0900690        
  7      7.0915300              0.1821160        
  8      4.4135500              0.0677900        
  9      1.9778500             -0.2051570        
 10      1.0595900             -0.3064560        
 11      0.5428770             -0.1475430        
 12      0.1790010              0.3470450        
 13      0.0775800              0.6136400        
S   13
  1   8793.0000000              0.0000140        
  2   1304.3500000              0.0001180        
  3    286.9300000              0.0003700        
  4     40.9458000              0.0129780        
  5     25.4342000             -0.0880930        
  6     15.8264000              0.2653300        
  7      7.0915300             -0.5610540        
  8      4.4135500             -0.1382420        
  9      1.9778500              0.7673490        
 10      1.0595900              1.3726410        
 11      0.5428770             -1.6006730        
 12      0.1790010             -1.0887970        
 13      0.0775800              1.0119630        
S   13
  1   8793.0000000              0.0000220        
  2   1304.3500000              0.0001240        
  3    286.9300000              0.0007350        
  4     40.9458000              0.0049080        
  5     25.4342000             -0.0671910        
  6     15.8264000              0.2753480        
  7      7.0915300             -0.5469830        
  8      4.4135500             -0.7971070        
  9      1.9778500              3.3339810        
 10      1.0595900             -1.1322300        
 11      0.5428770             -2.6764780        
 12      0.1790010              3.0276260        
 13      0.0775800             -0.9754520        
S   13
  1   8793.0000000             -0.0000250        
  2   1304.3500000             -0.0005180        
  3    286.9300000              0.0001440        
  4     40.9458000             -0.1004100        
  5     25.4342000              0.5137630        
  6     15.8264000             -1.2429870        
  7      7.0915300              3.4112760        
  8      4.4135500             -2.1883730        
  9      1.9778500             -6.1974000        
 10      1.0595900             11.4249990        
 11      0.5428770             -7.5722620        
 12      0.1790010              2.0448040        
 13      0.0775800              0.4634670        
S   1
  1      0.0336320              1.0000000        
P   10
  1    120.1895000              0.0002880        
  2     27.9530000             -0.0060500        
  3     17.5012000              0.0453130        
  4      7.8216000             -0.2309620        
  5      2.3231500              0.4229230        
  6      1.2310900              0.4720020        
  7      0.6486230              0.2302990        
  8      0.3251940              0.0414230        
  9      0.1425240              0.0024440        
 10      0.0630880              0.0003630        
P   10
  1    120.1895000             -0.0000460        
  2     27.9530000              0.0008440        
  3     17.5012000             -0.0098170        
  4      7.8216000              0.0582890        
  5      2.3231500             -0.1301770        
  6      1.2310900             -0.1415740        
  7      0.6486230             -0.0857170        
  8      0.3251940              0.1398650        
  9      0.1425240              0.4210830        
 10      0.0630880              0.4603340        
P   10
  1    120.1895000             -0.0001300        
  2     27.9530000              0.0025440        
  3     17.5012000             -0.0212710        
  4      7.8216000              0.1174690        
  5      2.3231500             -0.2756440        
  6      1.2310900             -0.3062620        
  7      0.6486230             -0.0323190        
  8      0.3251940              0.5011630        
  9      0.1425240              0.5490480        
 10      0.0630880              0.1145660        
P   10
  1    120.1895000             -0.0003210        
  2     27.9530000              0.0066800        
  3     17.5012000             -0.0465340        
  4      7.8216000              0.2512720        
  5      2.3231500             -0.8207010        
  6      1.2310900             -0.4365830        
  7      0.6486230              1.0883990        
  8      0.3251940              0.6322200        
  9      0.1425240             -0.8039930        
 10      0.0630880             -0.3005600        
P   10
  1    120.1895000             -0.0003640        
  2     27.9530000              0.0052480        
  3     17.5012000              0.0417290        
  4      7.8216000             -0.4067060        
  5      2.3231500              2.4451880        
  6      1.2310900             -2.3362140        
  7      0.6486230             -0.8066910        
  8      0.3251940              1.9782120        
  9      0.1425240             -0.3944950        
 10      0.0630880             -0.5958600        
P   1
  1      0.0276800              1.0000000        
D   9
  1    105.3300000              0.0002970        
  2     29.3090000              0.0025980        
  3      9.5323900             -0.0221920        
  4      4.7796100              0.0592660        
  5      2.6613300              0.2292930        
  6      1.4457400              0.3280280        
  7      0.7683300              0.3078190        
  8      0.3985390              0.2047850        
  9      0.1999000              0.0855270        
D   9
  1    105.3300000             -0.0004580        
  2     29.3090000             -0.0035730        
  3      9.5323900              0.0319050        
  4      4.7796100             -0.0955770        
  5      2.6613300             -0.4517700        
  6      1.4457400             -0.3712080        
  7      0.7683300              0.2107970        
  8      0.3985390              0.4842170        
  9      0.1999000              0.3019970        
D   9
  1    105.3300000             -0.0004410        
  2     29.3090000             -0.0049140        
  3      9.5323900              0.0469010        
  4      4.7796100             -0.1432230        
  5      2.6613300             -0.7734170        
  6      1.4457400              0.2242430        
  7      0.7683300              0.9456240        
  8      0.3985390             -0.0343390        
  9      0.1999000             -0.6751870        
D   9
  1    105.3300000              0.0001290        
  2     29.3090000              0.0120660        
  3      9.5323900             -0.1289060        
  4      4.7796100              0.5781290        
  5      2.6613300              0.9086400        
  6      1.4457400             -1.9362210        
  7      0.7683300              0.2848470        
  8      0.3985390              1.3005940        
  9      0.1999000             -0.6077290        
D   1
  1      0.0942680              1.0000000        
F   1
  1      4.7663000              1.0000000        
F   1
  1      1.6224000              1.0000000        
F   1
  1      0.5523000              1.0000000        
G   1
  1      2.8616000              1.0000000        
G   1
  1      1.0371000              1.0000000        
H   1
  1      1.9783000              1.0000000        


name: cc-pVQZ-PP
description: VQZP Valence Quadruple Zeta + Polarization on All Atoms
elt: In
data:
INDIUM
S   10
  1   8931.8400000              0.0000190        
  2   1352.2200000              0.0001310        
  3    303.3930000              0.0004780        
  4     45.1229000              0.0117080        
  5     28.1822000             -0.0873300        
  6     17.6048000              0.2595770        
  7      6.9405800             -0.6284710        
  8      4.3337700             -0.1587180        
  9      1.9868400              0.6744040        
 10      1.0430600              0.6065590        
S   10
  1   8931.8400000             -0.0000070        
  2   1352.2200000             -0.0000440        
  3    303.3930000             -0.0001780        
  4     45.1229000             -0.0032870        
  5     28.1822000              0.0262960        
  6     17.6048000             -0.0836470        
  7      6.9405800              0.2330430        
  8      4.3337700              0.0306310        
  9      1.9868400             -0.2707260        
 10      1.0430600             -0.3673450        
S   1
  1      0.5292520              1.0000000        
S   1
  1      0.2190990              1.0000000        
S   1
  1      0.0980430              1.0000000        
S   1
  1      0.0431440              1.0000000        
P   7
  1    129.2330000              0.0002790        
  2     29.6284000             -0.0061710        
  3     18.5211000              0.0469120        
  4      8.2853600             -0.2399040        
  5      2.4993900              0.4298110        
  6      1.3221600              0.4861010        
  7      0.6887070              0.2220370        
P   7
  1    129.2330000             -0.0000360        
  2     29.6284000              0.0006980        
  3     18.5211000             -0.0088060        
  4      8.2853600              0.0529800        
  5      2.4993900             -0.1153050        
  6      1.3221600             -0.1233450        
  7      0.6887070             -0.0806820        
P   1
  1      0.3340160              1.0000000        
P   1
  1      0.1425610              1.0000000        
P   1
  1      0.0614610              1.0000000        
P   1
  1      0.0264010              1.0000000        
D   9
  1    295.4920000              0.0000410        
  2     89.4368000              0.0003470        
  3     31.9940000              0.0022300        
  4     12.3422000             -0.0147000        
  5      5.5903300              0.0257070        
  6      3.4772900              0.1634450        
  7      2.0284500              0.2873660        
  8      1.1472200              0.3176730        
  9      0.6305350              0.2485850        
D   1
  1      0.3346090              1.0000000        
D   1
  1      0.1684080              1.0000000        
D   1
  1      0.0692000              1.0000000        
F   1
  1      0.3921000              1.0000000        
F   1
  1      0.1560000              1.0000000        
G   1
  1      0.3419000              1.0000000        


name: cc-pVQZ-PP
description: VQZP Valence Quadruple Zeta + Polarization on All Atoms
elt: Sn
data:
TIN
S   10
  1  11606.9000000              0.0000290        
  2   1754.8000000              0.0002060        
  3    397.1780000              0.0008070        
  4     90.2990000              0.0024710        
  5     31.4890000             -0.0400250        
  6     19.6685000              0.1631520        
  7      7.0675900             -0.5569830        
  8      4.4149000             -0.1699320        
  9      2.1635600              0.6510280        
 10      1.1428000              0.6316850        
S   10
  1  11606.9000000             -0.0000110        
  2   1754.8000000             -0.0000800        
  3    397.1780000             -0.0003300        
  4     90.2990000             -0.0008620        
  5     31.4890000              0.0135950        
  6     19.6685000             -0.0591970        
  7      7.0675900              0.2389570        
  8      4.4149000              0.0283770        
  9      2.1635600             -0.2901640        
 10      1.1428000             -0.4238590        
S   1
  1      0.5795400              1.0000000        
S   1
  1      0.2607870              1.0000000        
S   1
  1      0.1188950              1.0000000        
S   1
  1      0.0531420              1.0000000        
P   7
  1    195.4950000              0.0002580        
  2     18.2563000              0.0443410        
  3     11.4094000             -0.1091420        
  4      6.9056700             -0.1386060        
  5      2.9820600              0.3437430        
  6      1.6084300              0.5182710        
  7      0.8317670              0.2787060        
P   7
  1    195.4950000             -0.0000730        
  2     18.2563000             -0.0126360        
  3     11.4094000              0.0337390        
  4      6.9056700              0.0332420        
  5      2.9820600             -0.1107500        
  6      1.6084300             -0.1631790        
  7      0.8317670             -0.1074610        
P   1
  1      0.3937310              1.0000000        
P   1
  1      0.1818010              1.0000000        
P   1
  1      0.0818500              1.0000000        
P   1
  1      0.0359930              1.0000000        
D   9
  1    308.5020000              0.0000530        
  2     93.6846000              0.0004410        
  3     34.2925000              0.0025780        
  4     13.7172000             -0.0126510        
  5      6.4494700              0.0267690        
  6      3.8827200              0.1591330        
  7      2.2913500              0.2867000        
  8      1.3112700              0.3230030        
  9      0.7302100              0.2475480        
D   1
  1      0.3944110              1.0000000        
D   1
  1      0.2031800              1.0000000        
D   1
  1      0.0866000              1.0000000        
F   1
  1      0.4315000              1.0000000        
F   1
  1      0.1772000              1.0000000        
G   1
  1      0.3774000              1.0000000        


name: cc-pVQZ-PP
description: VQZP Valence Quadruple Zeta + Polarization on All Atoms
elt: Sb
data:
ANTIMONY
S   10
  1  12338.8000000              0.0000380        
  2   1854.7000000              0.0002780        
  3    418.4430000              0.0010970        
  4     99.3430000              0.0028230        
  5     28.5958000             -0.0606100        
  6     17.8648000              0.2803340        
  7      8.4571400             -0.5477250        
  8      5.2841200             -0.3029640        
  9      2.3201200              0.6807890        
 10      1.2105100              0.6523790        
S   10
  1  12338.8000000             -0.0000160        
  2   1854.7000000             -0.0001160        
  3    418.4430000             -0.0004800        
  4     99.3430000             -0.0010850        
  5     28.5958000              0.0218040        
  6     17.8648000             -0.1080070        
  7      8.4571400              0.2436460        
  8      5.2841200              0.0936930        
  9      2.3201200             -0.3259720        
 10      1.2105100             -0.4822490        
S   1
  1      0.5704940              1.0000000        
S   1
  1      0.3039500              1.0000000        
S   1
  1      0.1393180              1.0000000        
S   1
  1      0.0631980              1.0000000        
P   7
  1    162.8930000              0.0003750        
  2     30.3996000             -0.0047980        
  3     19.0004000              0.0547310        
  4      9.3225600             -0.2552840        
  5      3.0166800              0.3453770        
  6      1.8621900              0.4048330        
  7      1.1033100              0.3259220        
P   7
  1    162.8930000             -0.0000930        
  2     30.3996000              0.0004970        
  3     19.0004000             -0.0137080        
  4      9.3225600              0.0753300        
  5      3.0166800             -0.1337400        
  6      1.8621900             -0.1182270        
  7      1.1033100             -0.1708200        
P   1
  1      0.5872790              1.0000000        
P   1
  1      0.2512180              1.0000000        
P   1
  1      0.1118480              1.0000000        
P   1
  1      0.0485120              1.0000000        
D   9
  1    316.7670000              0.0000660        
  2     95.5893000              0.0005560        
  3     35.1117000              0.0030840        
  4     12.7381000             -0.0166890        
  5      7.9547500              0.0189370        
  6      4.4214700              0.1483900        
  7      2.6028200              0.2920600        
  8      1.4822400              0.3384820        
  9      0.8218580              0.2514990        
D   1
  1      0.4420520              1.0000000        
D   1
  1      0.2273480              1.0000000        
D   1
  1      0.1008000              1.0000000        
F   1
  1      0.4849000              1.0000000        
F   1
  1      0.2049000              1.0000000        
G   1
  1      0.4234000              1.0000000        


name: cc-pVQZ-PP
description: VQZP Valence Quadruple Zeta + Polarization on All Atoms
elt: Te
data:
TELLURIUM
S   10
  1  15746.3000000              0.0000540        
  2   2369.2500000              0.0003980        
  3    535.8600000              0.0016620        
  4    141.8850000              0.0036360        
  5     27.8197000             -0.0584270        
  6     17.3879000              0.3665200        
  7     10.8656000             -0.3975890        
  8      6.5688500             -0.5191750        
  9      2.4013900              0.6876520        
 10      1.2805500              0.6369910        
S   10
  1  15746.3000000              0.0000250        
  2   2369.2500000              0.0001860        
  3    535.8600000              0.0007850        
  4    141.8850000              0.0016870        
  5     27.8197000             -0.0231880        
  6     17.3879000              0.1576380        
  7     10.8656000             -0.1992000        
  8      6.5688500             -0.1972300        
  9      2.4013900              0.3695570        
 10      1.2805500              0.5045090        
S   1
  1      0.5900670              1.0000000        
S   1
  1      0.3524580              1.0000000        
S   1
  1      0.1618080              1.0000000        
S   1
  1      0.0731870              1.0000000        
P   7
  1    750.2220000              0.0000520        
  2    163.9610000              0.0004100        
  3     16.9227000              0.0833870        
  4     10.5755000             -0.2682120        
  5      5.7046200             -0.0229320        
  6      2.9802200              0.4955480        
  7      1.5197000              0.5145220        
P   7
  1    750.2220000             -0.0000160        
  2    163.9610000             -0.0001520        
  3     16.9227000             -0.0272310        
  4     10.5755000              0.0930200        
  5      5.7046200             -0.0069840        
  6      2.9802200             -0.1766730        
  7      1.5197000             -0.2338780        
P   1
  1      0.7560490              1.0000000        
P   1
  1      0.3279680              1.0000000        
P   1
  1      0.1405850              1.0000000        
P   1
  1      0.0580960              1.0000000        
D   9
  1    325.8080000              0.0000820        
  2     98.4206000              0.0006950        
  3     36.4648000              0.0036810        
  4     12.6406000             -0.0179040        
  5      7.8939800              0.0335260        
  6      4.3658100              0.1871400        
  7      2.5251400              0.3230120        
  8      1.4321000              0.3336830        
  9      0.7941060              0.2130980        
D   1
  1      0.4286680              1.0000000        
D   1
  1      0.2355650              1.0000000        
D   1
  1      0.1156000              1.0000000        
F   1
  1      0.5184000              1.0000000        
F   1
  1      0.2135000              1.0000000        
G   1
  1      0.4294000              1.0000000        


name: cc-pVQZ-PP
description: VQZP Valence Quadruple Zeta + Polarization on All Atoms
elt: I
data:
IODINE
S   10
  1      1.690000E+04           4.000000E-05     
  2      2.541390E+03           2.940000E-04     
  3      5.744130E+02           1.214000E-03     
  4      1.509450E+02           2.596000E-03     
  5      2.916310E+01          -5.362300E-02     
  6      1.821960E+01           3.439170E-01     
  7      1.133650E+01          -3.674270E-01     
  8      6.924080E+00          -5.389040E-01     
  9      2.509810E+00           7.095670E-01     
 10      1.351130E+00           6.280610E-01     
S   10
  1      1.690000E+04           1.900000E-05     
  2      2.541390E+03           1.420000E-04     
  3      5.744130E+02           5.920000E-04     
  4      1.509450E+02           1.243000E-03     
  5      2.916310E+01          -2.272100E-02     
  6      1.821960E+01           1.577080E-01     
  7      1.133650E+01          -2.000920E-01     
  8      6.924080E+00          -2.161520E-01     
  9      2.509810E+00           4.134390E-01     
 10      1.351130E+00           5.345850E-01     
S   1
  1      6.163790E-01           1.0000000        
S   1
  1      3.834550E-01           1.0000000        
S   1
  1      1.800560E-01           1.0000000        
S   1
  1      8.232700E-02           1.0000000        
P   7
  1      6.491590E+02           9.500000E-05     
  2      1.480870E+02           6.290000E-04     
  3      2.010180E+01           4.532400E-02     
  4      1.044660E+01          -2.302310E-01     
  5      6.358830E+00          -4.960000E-03     
  6      3.048460E+00           5.139270E-01     
  7      1.559500E+00           5.060930E-01     
P   7
  1      6.491590E+02          -3.200000E-05     
  2      1.480870E+02          -2.530000E-04     
  3      2.010180E+01          -1.609800E-02     
  4      1.044660E+01           8.991000E-02     
  5      6.358830E+00          -1.565500E-02     
  6      3.048460E+00          -2.077830E-01     
  7      1.559500E+00          -2.480810E-01     
P   1
  1      7.689110E-01           1.0000000        
P   1
  1      3.548140E-01           1.0000000        
P   1
  1      1.547660E-01           1.0000000        
P   1
  1      6.469900E-02           1.0000000        
D   9
  1      5.854450E+02           2.500000E-05     
  2      1.774680E+02           2.310000E-04     
  3      6.921930E+01           1.173000E-03     
  4      2.863920E+01           5.584000E-03     
  5      1.271530E+01          -2.383000E-02     
  6      5.479270E+00           1.168140E-01     
  7      3.354930E+00           2.727310E-01     
  8      1.984230E+00           3.401740E-01     
  9      1.152540E+00           2.686990E-01     
D   1
  1      6.510170E-01           1.0000000        
D   1
  1      3.474450E-01           1.0000000        
D   1
  1      1.547000E-01           1.0000000        
F   1
  1      5.865000E-01           1.0000000        
F   1
  1      2.494000E-01           1.0000000        
G   1
  1      4.730000E-01           1.0000000        


name: cc-pVQZ-PP
description: VQZP Valence Quadruple Zeta + Polarization on All Atoms
elt: Xe
data:
XENON
S   10
  1  18774.3000000              0.0000680        
  2   2824.8100000              0.0005010        
  3    640.0880000              0.0020970        
  4    172.6160000              0.0044930        
  5     29.5169000             -0.0471510        
  6     18.4448000              0.3740330        
  7     11.5238000             -0.5128260        
  8      6.6189000             -0.4786240        
  9      2.9955200              0.5964710        
 10      1.6493700              0.7153980        
S   10
  1  18774.3000000              0.0000360        
  2   2824.8100000              0.0002620        
  3    640.0880000              0.0011090        
  4    172.6160000              0.0023480        
  5     29.5169000             -0.0187980        
  6     18.4448000              0.1713890        
  7     11.5238000             -0.2682230        
  8      6.6189000             -0.1960550        
  9      2.9955200              0.3356460        
 10      1.6493700              0.5968280        
S   1
  1      0.8606790              1.0000000        
S   1
  1      0.4422460              1.0000000        
S   1
  1      0.2081820              1.0000000        
S   1
  1      0.0948280              1.0000000        
P   7
  1    613.3310000              0.0001380        
  2    141.7100000              0.0008530        
  3     20.3106000              0.0550240        
  4     11.0331000             -0.2529880        
  5      6.8951300              0.0097460        
  6      3.2416600              0.5267970        
  7      1.6653500              0.5018320        
P   7
  1    613.3310000             -0.0000490        
  2    141.7100000             -0.0003610        
  3     20.3106000             -0.0203090        
  4     11.0331000              0.1029380        
  5      6.8951300             -0.0230910        
  6      3.2416600             -0.2231260        
  7      1.6653500             -0.2618480        
P   1
  1      0.8197860              1.0000000        
P   1
  1      0.3873040              1.0000000        
P   1
  1      0.1715660              1.0000000        
P   1
  1      0.0726410              1.0000000        
D   9
  1    627.6840000              0.0000320        
  2    190.6130000              0.0002980        
  3     74.3150000              0.0015410        
  4     31.4406000              0.0064870        
  5     14.5656000             -0.0148640        
  6      6.1354600              0.1259400        
  7      3.6167000              0.2988020        
  8      2.0846500              0.3522620        
  9      1.1951800              0.2484710        
D   1
  1      0.6818480              1.0000000        
D   1
  1      0.3807270              1.0000000        
D   1
  1      0.1676000              1.0000000        
F   1
  1      0.6619000              1.0000000        
F   1
  1      0.2979000              1.0000000        
G   1
  1      0.5278000              1.0000000        


name: cc-pVQZ-PP
description: VQZP Valence Quadruple Zeta + Polarization on All Atoms
elt: Hf
data:
HAFNIUM
S   13
  1     72.4389000              0.0011630        
  2     45.2162000             -0.0114520        
  3     28.2220000              0.0739620        
  4     17.6385000             -0.3243560        
  5     11.0226000              0.7373860        
  6      6.8849000             -0.4920420        
  7      3.5401300             -0.5503310        
  8      1.9114300              0.0068040        
  9      1.1108400              0.5487620        
 10      0.6210720              0.5890330        
 11      0.3317360              0.2060050        
 12      0.1185800              0.0088010        
 13      0.0548520             -0.0030800        
S   13
  1     72.4389000             -0.0002440        
  2     45.2162000              0.0027980        
  3     28.2220000             -0.0202250        
  4     17.6385000              0.0943500        
  5     11.0226000             -0.2219970        
  6      6.8849000              0.1514670        
  7      3.5401300              0.1831980        
  8      1.9114300             -0.0037340        
  9      1.1108400             -0.2019920        
 10      0.6210720             -0.3343960        
 11      0.3317360             -0.1997340        
 12      0.1185800              0.3916460        
 13      0.0548520              0.6450710        
S   13
  1     72.4389000              0.0012180        
  2     45.2162000             -0.0046350        
  3     28.2220000             -0.0055870        
  4     17.6385000              0.0992940        
  5     11.0226000             -0.2810020        
  6      6.8849000              0.1448310        
  7      3.5401300              0.4847140        
  8      1.9114300             -0.2888910        
  9      1.1108400              0.0737130        
 10      0.6210720             -1.6459660        
 11      0.3317360              0.9783500        
 12      0.1185800              1.9238700        
 13      0.0548520             -1.2965760        
S   13
  1     72.4389000              0.0016570        
  2     45.2162000             -0.0059790        
  3     28.2220000             -0.0118030        
  4     17.6385000              0.1606530        
  5     11.0226000             -0.4541850        
  6      6.8849000              0.2557780        
  7      3.5401300              0.7460350        
  8      1.9114300             -0.2399350        
  9      1.1108400             -0.8580200        
 10      0.6210720             -2.5354000        
 11      0.3317360              4.9533640        
 12      0.1185800             -2.7189210        
 13      0.0548520             -0.3507780        
S   13
  1     72.4389000             -0.0189520        
  2     45.2162000              0.1126140        
  3     28.2220000             -0.3791580        
  4     17.6385000              0.9695960        
  5     11.0226000             -1.8053410        
  6      6.8849000              1.7993640        
  7      3.5401300             -1.2136050        
  8      1.9114300              4.3487530        
  9      1.1108400            -10.5038250        
 10      0.6210720              9.8551680        
 11      0.3317360             -2.5265540        
 12      0.1185800             -3.6117060        
 13      0.0548520              5.3189020        
S   1
  1      0.0251920              1.0000000        
P   10
  1     27.5515000              0.0043130        
  2     17.2296000             -0.0366020        
  3     10.7808000              0.1160700        
  4      4.8379500             -0.2926280        
  5      1.1914000              0.4420380        
  6      0.6007080              0.4780660        
  7      0.3074110              0.2122140        
  8      0.1562270              0.0327530        
  9      0.0760330              0.0048070        
 10      0.0373420             -0.0002130        
P   10
  1     27.5515000             -0.0010340        
  2     17.2296000              0.0094990        
  3     10.7808000             -0.0314490        
  4      4.8379500              0.0827700        
  5      1.1914000             -0.1400300        
  6      0.6007080             -0.1925740        
  7      0.3074110             -0.0865620        
  8      0.1562270              0.2069060        
  9      0.0760330              0.4684290        
 10      0.0373420              0.3988560        
P   10
  1     27.5515000             -0.0014480        
  2     17.2296000              0.0136000        
  3     10.7808000             -0.0454180        
  4      4.8379500              0.1200980        
  5      1.1914000             -0.2032580        
  6      0.6007080             -0.2941450        
  7      0.3074110             -0.1276190        
  8      0.1562270              0.5058440        
  9      0.0760330              0.5783360        
 10      0.0373420              0.1178420        
P   10
  1     27.5515000             -0.0032460        
  2     17.2296000              0.0272840        
  3     10.7808000             -0.0875310        
  4      4.8379500              0.2316860        
  5      1.1914000             -0.4719300        
  6      0.6007080             -0.8206520        
  7      0.3074110              1.1440980        
  8      0.1562270              0.9145160        
  9      0.0760330             -0.9777530        
 10      0.0373420             -0.3066250        
P   10
  1     27.5515000              0.0093880        
  2     17.2296000             -0.0585180        
  3     10.7808000              0.1606140        
  4      4.8379500             -0.4095390        
  5      1.1914000              1.5183920        
  6      0.6007080             -0.4586730        
  7      0.3074110             -2.6576990        
  8      0.1562270              3.0602870        
  9      0.0760330             -0.6219400        
 10      0.0373420             -0.6289150        
P   1
  1      0.0181300              1.0000000        
D   9
  1     47.2322000              0.0000170        
  2     13.1047000             -0.0008770        
  3      7.5050100              0.0155100        
  4      4.5180600             -0.0573800        
  5      1.2669600              0.1453560        
  6      0.6271160              0.2843090        
  7      0.3015600              0.3476220        
  8      0.1411600              0.3054930        
  9      0.0642070              0.1632340        
D   9
  1     47.2322000              0.0000070        
  2     13.1047000              0.0005750        
  3      7.5050100             -0.0165460        
  4      4.5180600              0.0660740        
  5      1.2669600             -0.1879000        
  6      0.6271160             -0.3975450        
  7      0.3015600             -0.2773590        
  8      0.1411600              0.3362230        
  9      0.0642070              0.5471920        
D   9
  1     47.2322000             -0.0000330        
  2     13.1047000             -0.0003780        
  3      7.5050100              0.0220450        
  4      4.5180600             -0.0947120        
  5      1.2669600              0.3497240        
  6      0.6271160              0.6024320        
  7      0.3015600             -0.5248690        
  8      0.1411600             -0.7984990        
  9      0.0642070              0.6042640        
D   9
  1     47.2322000              0.0006970        
  2     13.1047000             -0.0110350        
  3      7.5050100              0.0668960        
  4      4.5180600             -0.1839770        
  5      1.2669600              0.8013200        
  6      0.6271160              0.2430220        
  7      0.3015600             -1.8839990        
  8      0.1411600              1.6425780        
  9      0.0642070             -0.0995440        
D   1
  1      0.0277910              1.0000000        
F   1
  1      0.8141000              1.0000000        
F   1
  1      0.2964000              1.0000000        
F   1
  1      0.1079000              1.0000000        
G   1
  1      0.7047000              1.0000000        
G   1
  1      0.2226000              1.0000000        
H   1
  1      0.4282000              1.0000000        


name: cc-pVQZ-PP
description: VQZP Valence Quadruple Zeta + Polarization on All Atoms
elt: Ta
data:
TANTALUM
S   13
  1     73.7813000              0.0010840        
  2     46.0585000             -0.0106880        
  3     28.7729000              0.0702380        
  4     17.9697000             -0.3188000        
  5     11.2263000              0.7504170        
  6      7.0033200             -0.5237200        
  7      3.6334100             -0.5605690        
  8      1.9104700              0.0417880        
  9      1.1325100              0.5891840        
 10      0.6371150              0.5664000        
 11      0.3430120              0.1788110        
 12      0.1304260              0.0069420        
 13      0.0597240             -0.0034680        
S   13
  1     73.7813000             -0.0002130        
  2     46.0585000              0.0025590        
  3     28.7729000             -0.0193980        
  4     17.9697000              0.0949430        
  5     11.2263000             -0.2327050        
  6      7.0033200              0.1669980        
  7      3.6334100              0.1927810        
  8      1.9104700             -0.0150810        
  9      1.1325100             -0.2349860        
 10      0.6371150             -0.3487000        
 11      0.3430120             -0.1647020        
 12      0.1304260              0.4033670        
 13      0.0597240              0.6386680        
S   13
  1     73.7813000              0.0009880        
  2     46.0585000             -0.0033780        
  3     28.7729000             -0.0096380        
  4     17.9697000              0.1133850        
  5     11.2263000             -0.3230420        
  6      7.0033200              0.1973730        
  7      3.6334100              0.4721130        
  8      1.9104700             -0.2411030        
  9      1.1325100             -0.1267900        
 10      0.6371150             -1.5906280        
 11      0.3430120              1.1589900        
 12      0.1304260              1.7377590        
 13      0.0597240             -1.1917780        
S   13
  1     73.7813000              0.0009140        
  2     46.0585000             -0.0018790        
  3     28.7729000             -0.0242770        
  4     17.9697000              0.1948080        
  5     11.2263000             -0.5400090        
  6      7.0033200              0.3650020        
  7      3.6334100              0.7127130        
  8      1.9104700             -0.1537290        
  9      1.1325100             -1.5167170        
 10      0.6371150             -1.5267620        
 11      0.3430120              4.5523910        
 12      0.1304260             -2.7308240        
 13      0.0597240             -0.4295940        
S   13
  1     73.7813000             -0.0137090        
  2     46.0585000              0.0819450        
  3     28.7729000             -0.2819230        
  4     17.9697000              0.7594780        
  5     11.2263000             -1.4786470        
  6      7.0033200              1.4265190        
  7      3.6334100             -0.5641730        
  8      1.9104700              3.4165950        
  9      1.1325100            -10.1513490        
 10      0.6371150             10.4775230        
 11      0.3430120             -3.1726800        
 12      0.1304260             -3.3629210        
 13      0.0597240              5.1320540        
S   1
  1      0.0272230              1.0000000        
P   10
  1     27.9136000              0.0040610        
  2     17.4530000             -0.0358630        
  3     10.9180000              0.1199340        
  4      5.0300800             -0.3036450        
  5      1.2717500              0.4445670        
  6      0.6519410              0.4750100        
  7      0.3393560              0.2119180        
  8      0.1775360              0.0361900        
  9      0.0863880              0.0054550        
 10      0.0416460             -0.0001940        
P   10
  1     27.9136000             -0.0009880        
  2     17.4530000              0.0096120        
  3     10.9180000             -0.0338360        
  4      5.0300800              0.0898790        
  5      1.2717500             -0.1496740        
  6      0.6519410             -0.2007630        
  7      0.3393560             -0.0819650        
  8      0.1775360              0.2001060        
  9      0.0863880              0.4661240        
 10      0.0416460              0.4100630        
P   10
  1     27.9136000             -0.0014500        
  2     17.4530000              0.0143690        
  3     10.9180000             -0.0509460        
  4      5.0300800              0.1359460        
  5      1.2717500             -0.2282980        
  6      0.6519410             -0.3233980        
  7      0.3393560             -0.1091860        
  8      0.1775360              0.5313070        
  9      0.0863880              0.5690130        
 10      0.0416460              0.1056730        
P   10
  1     27.9136000             -0.0034200        
  2     17.4530000              0.0290570        
  3     10.9180000             -0.0975450        
  4      5.0300800              0.2603850        
  5      1.2717500             -0.5643600        
  6      0.6519410             -0.7742520        
  7      0.3393560              1.2323600        
  8      0.1775360              0.7955210        
  9      0.0863880             -0.9257990        
 10      0.0416460             -0.3360500        
P   10
  1     27.9136000              0.0077180        
  2     17.4530000             -0.0556400        
  3     10.9180000              0.1747500        
  4      5.0300800             -0.4767370        
  5      1.2717500              1.9284790        
  6      0.6519410             -1.1687440        
  7      0.3393560             -2.2422620        
  8      0.1775360              3.0810600        
  9      0.0863880             -0.7866630        
 10      0.0416460             -0.5436600        
P   1
  1      0.0197310              1.0000000        
D   9
  1     47.2399000              0.0000260        
  2     13.1212000             -0.0014810        
  3      7.9410300              0.0178090        
  4      4.5789100             -0.0690840        
  5      1.3728600              0.1596480        
  6      0.7006000              0.2981540        
  7      0.3472210              0.3480990        
  8      0.1669860              0.2867490        
  9      0.0775680              0.1438900        
D   9
  1     47.2399000              0.0000050        
  2     13.1212000              0.0010590        
  3      7.9410300             -0.0188100        
  4      4.5789100              0.0800010        
  5      1.3728600             -0.2138050        
  6      0.7006000             -0.4252560        
  7      0.3472210             -0.2277030        
  8      0.1669860              0.3960240        
  9      0.0775680              0.5188780        
D   9
  1     47.2399000             -0.0000610        
  2     13.1212000             -0.0004510        
  3      7.9410300              0.0240590        
  4      4.5789100             -0.1166800        
  5      1.3728600              0.4375110        
  6      0.7006000              0.5807630        
  7      0.3472210             -0.6903200        
  8      0.1669860             -0.6825310        
  9      0.0775680              0.6453860        
D   9
  1     47.2399000              0.0006040        
  2     13.1212000             -0.0113380        
  3      7.9410300              0.0659210        
  4      4.5789100             -0.2133010        
  5      1.3728600              1.0202930        
  6      0.7006000             -0.1151460        
  7      0.3472210             -1.7382210        
  8      0.1669860              1.7498200        
  9      0.0775680             -0.2073400        
D   1
  1      0.0340580              1.0000000        
F   1
  1      0.9634000              1.0000000        
F   1
  1      0.3651000              1.0000000        
F   1
  1      0.1384000              1.0000000        
G   1
  1      0.8970000              1.0000000        
G   1
  1      0.2862000              1.0000000        
H   1
  1      0.5532000              1.0000000        


name: cc-pVQZ-PP
description: VQZP Valence Quadruple Zeta + Polarization on All Atoms
elt: W
data:
TUNGSTEN
S   13
  1     77.1195000              0.0009710        
  2     48.1958000             -0.0094870        
  3     30.1187000              0.0630910        
  4     18.7768000             -0.2947690        
  5     11.7358000              0.7008950        
  6      7.2788700             -0.4703580        
  7      3.8670800             -0.5853380        
  8      1.9127300              0.0318840        
  9      1.1804400              0.6455090        
 10      0.6475100              0.5593650        
 11      0.3432030              0.1432700        
 12      0.1412450              0.0040440        
 13      0.0640210             -0.0035460        
S   13
  1     77.1195000             -0.0001850        
  2     48.1958000              0.0022560        
  3     30.1187000             -0.0176440        
  4     18.7768000              0.0896450        
  5     11.7358000             -0.2227610        
  6      7.2788700              0.1544930        
  7      3.8670800              0.2057680        
  8      1.9127300             -0.0119820        
  9      1.1804400             -0.2742450        
 10      0.6475100             -0.3627550        
 11      0.3432030             -0.1249040        
 12      0.1412450              0.4138630        
 13      0.0640210              0.6326800        
S   13
  1     77.1195000             -0.0006030        
  2     48.1958000              0.0013840        
  3     30.1187000              0.0144160        
  4     18.7768000             -0.1211050        
  5     11.7358000              0.3338390        
  6      7.2788700             -0.2077230        
  7      3.8670800             -0.4467040        
  8      1.9127300              0.1281090        
  9      1.1804400              0.4202140        
 10      0.6475100              1.3598420        
 11      0.3432030             -1.2237640        
 12      0.1412450             -1.5559960        
 13      0.0640210              1.0824180        
S   13
  1     77.1195000             -0.0000710        
  2     48.1958000              0.0034200        
  3     30.1187000             -0.0385710        
  4     18.7768000              0.2232260        
  5     11.7358000             -0.5873970        
  6      7.2788700              0.4160230        
  7      3.8670800              0.6715970        
  8      1.9127300             -0.0045440        
  9      1.1804400             -2.1351460        
 10      0.6475100             -0.4472160        
 11      0.3432030              4.0371680        
 12      0.1412450             -2.7972560        
 13      0.0640210             -0.4402180        
S   13
  1     77.1195000             -0.0090760        
  2     48.1958000              0.0545770        
  3     30.1187000             -0.1942180        
  4     18.7768000              0.5635980        
  5     11.7358000             -1.1452700        
  6      7.2788700              1.0220890        
  7      3.8670800              0.0759150        
  8      1.9127300              2.4385620        
  9      1.1804400             -9.0879040        
 10      0.6475100             10.2451000        
 11      0.3432030             -3.7254950        
 12      0.1412450             -2.9267180        
 13      0.0640210              4.8592420        
S   1
  1      0.0289530              1.0000000        
P   10
  1     29.7849000              0.0042390        
  2     18.6260000             -0.0368190        
  3     11.6544000              0.1206080        
  4      5.3065700             -0.3068540        
  5      1.3322000              0.4655600        
  6      0.6793550              0.4774170        
  7      0.3475220              0.1982390        
  8      0.1736150              0.0280040        
  9      0.0847170              0.0038430        
 10      0.0414500             -0.0002560        
P   10
  1     29.7849000             -0.0010730        
  2     18.6260000              0.0101370        
  3     11.6544000             -0.0347900        
  4      5.3065700              0.0928310        
  5      1.3322000             -0.1624000        
  6      0.6793550             -0.2088740        
  7      0.3475220             -0.0538850        
  8      0.1736150              0.2474960        
  9      0.0847170              0.4681480        
 10      0.0414500              0.3682370        
P   10
  1     29.7849000             -0.0016220        
  2     18.6260000              0.0157240        
  3     11.6544000             -0.0545450        
  4      5.3065700              0.1466050        
  5      1.3322000             -0.2607220        
  6      0.6793550             -0.3620910        
  7      0.3475220             -0.0073890        
  8      0.1736150              0.6264040        
  9      0.0847170              0.4630080        
 10      0.0414500              0.0634300        
P   10
  1     29.7849000             -0.0039160        
  2     18.6260000              0.0317850        
  3     11.6544000             -0.1032130        
  4      5.3065700              0.2769090        
  5      1.3322000             -0.6727660        
  6      0.6793550             -0.6716600        
  7      0.3475220              1.4911520        
  8      0.1736150              0.4168600        
  9      0.0847170             -0.9480850        
 10      0.0414500             -0.2160280        
P   10
  1     29.7849000              0.0053940        
  2     18.6260000             -0.0480700        
  3     11.6544000              0.1663880        
  4      5.3065700             -0.4878230        
  5      1.3322000              2.1901880        
  6      0.6793550             -1.9515560        
  7      0.3475220             -1.2594270        
  8      0.1736150              2.8022120        
  9      0.0847170             -1.1616660        
 10      0.0414500             -0.3249580        
P   1
  1      0.0200010              1.0000000        
D   9
  1     47.6003000              0.0000330        
  2     14.5420000             -0.0025530        
  3      9.0813200              0.0218860        
  4      5.0997400             -0.0784400        
  5      1.4962900              0.1687640        
  6      0.7689810              0.3145610        
  7      0.3842550              0.3535110        
  8      0.1856380              0.2727040        
  9      0.0862530              0.1226270        
D   9
  1     47.6003000              0.0000080        
  2     14.5420000              0.0022640        
  3      9.0813200             -0.0243420        
  4      5.0997400              0.0948420        
  5      1.4962900             -0.2450010        
  6      0.7689810             -0.4648380        
  7      0.3842550             -0.1570150        
  8      0.1856380              0.4777850        
  9      0.0862530              0.4723200        
D   8
  1     14.5420000             -0.0032460        
  2      9.0813200              0.0353940        
  3      5.0997400             -0.1435400        
  4      1.4962900              0.5278820        
  5      0.7689810              0.5600390        
  6      0.3842550             -0.9431490        
  7      0.1856380             -0.4525680        
  8      0.0862530              0.7364580        
D   9
  1     47.6003000              0.0005810        
  2     14.5420000             -0.0123990        
  3      9.0813200              0.0712450        
  4      5.0997400             -0.2416100        
  5      1.4962900              1.2819070        
  6      0.7689810             -0.6743030        
  7      0.3842550             -1.3615990        
  8      0.1856380              1.9042820        
  9      0.0862530             -0.5902650        
D   1
  1      0.0375810              1.0000000        
F   1
  1      1.1089000              1.0000000        
F   1
  1      0.4332000              1.0000000        
F   1
  1      0.1692000              1.0000000        
G   1
  1      1.0815000              1.0000000        
G   1
  1      0.3533000              1.0000000        
H   1
  1      0.6834000              1.0000000        


name: cc-pVQZ-PP
description: VQZP Valence Quadruple Zeta + Polarization on All Atoms
elt: Re
data:
RHENIUM
S   13
  1     82.3602000              0.0006360        
  2     51.4686000             -0.0064370        
  3     32.1603000              0.0462420        
  4     20.0660000             -0.2274960        
  5     12.4622000              0.5498740        
  6      7.5180000             -0.3203770        
  7      4.1506800             -0.6378710        
  8      1.9643400              0.0269990        
  9      1.2270000              0.6930860        
 10      0.6571530              0.5435260        
 11      0.3387020              0.1155350        
 12      0.1441200              0.0046460        
 13      0.0649710              0.0007070        
S   13
  1     82.3602000             -0.0001250        
  2     51.4686000              0.0016030        
  3     32.1603000             -0.0136440        
  4     20.0660000              0.0728800        
  5     12.4622000             -0.1841680        
  6      7.5180000              0.1126340        
  7      4.1506800              0.2319940        
  8      1.9643400             -0.0147960        
  9      1.2270000             -0.3107090        
 10      0.6571530             -0.3716290        
 11      0.3387020             -0.0795990        
 12      0.1441200              0.4391580        
 13      0.0649710              0.6122060        
S   13
  1     82.3602000             -0.0004390        
  2     51.4686000              0.0009780        
  3     32.1603000              0.0120630        
  4     20.0660000             -0.1013780        
  5     12.4622000              0.2812560        
  6      7.5180000             -0.1516170        
  7      4.1506800             -0.4639690        
  8      1.9643400              0.0623710        
  9      1.2270000              0.6503050        
 10      0.6571530              1.1453480        
 11      0.3387020             -1.3314350        
 12      0.1441200             -1.3425100        
 13      0.0649710              1.0609040        
S   13
  1     82.3602000             -0.0009080        
  2     51.4686000              0.0074070        
  3     32.1603000             -0.0459360        
  4     20.0660000              0.2203600        
  5     12.4622000             -0.5556240        
  6      7.5180000              0.3751760        
  7      4.1506800              0.7129580        
  8      1.9643400              0.1590340        
  9      1.2270000             -2.9451850        
 10      0.6571530              0.8920090        
 11      0.3387020              3.3695610        
 12      0.1441200             -3.1755850        
 13      0.0649710              0.1060080        
S   13
  1     82.3602000             -0.0021520        
  2     51.4686000              0.0143330        
  3     32.1603000             -0.0679810        
  4     20.0660000              0.2773630        
  5     12.4622000             -0.6550320        
  6      7.5180000              0.3786980        
  7      4.1506800              1.0665680        
  8      1.9643400              0.6140170        
  9      1.2270000             -7.8614560        
 10      0.6571530             11.7297390        
 11      0.3387020             -6.9458570        
 12      0.1441200              0.0308980        
 13      0.0649710              3.0805360        
S   1
  1      0.0295140              1.0000000        
P   10
  1     32.4690000              0.0029450        
  2     20.2970000             -0.0256880        
  3     12.6941000              0.0857520        
  4      5.2869700             -0.2824710        
  5      1.4202400              0.4641420        
  6      0.7343010              0.4730530        
  7      0.3810460              0.2020920        
  8      0.1971460              0.0319370        
  9      0.0952250              0.0048080        
 10      0.0459080             -0.0002900        
P   10
  1     32.4690000             -0.0006380        
  2     20.2970000              0.0067070        
  3     12.6941000             -0.0244150        
  4      5.2869700              0.0864310        
  5      1.4202400             -0.1669190        
  6      0.7343010             -0.2014050        
  7      0.3810460             -0.0604410        
  8      0.1971460              0.2224410        
  9      0.0952250              0.4576740        
 10      0.0459080              0.3927610        
P   10
  1     32.4690000             -0.0010490        
  2     20.2970000              0.0110530        
  3     12.6941000             -0.0402980        
  4      5.2869700              0.1433430        
  5      1.4202400             -0.2853640        
  6      0.7343010             -0.3650760        
  7      0.3810460             -0.0032000        
  8      0.1971460              0.6099320        
  9      0.0952250              0.4790080        
 10      0.0459080              0.0693610        
P   10
  1     32.4690000             -0.0030230        
  2     20.2970000              0.0239340        
  3     12.6941000             -0.0783600        
  4      5.2869700              0.2752990        
  5      1.4202400             -0.7659500        
  6      0.7343010             -0.5943630        
  7      0.3810460              1.4982640        
  8      0.1971460              0.3730740        
  9      0.0952250             -0.8983170        
 10      0.0459080             -0.2479210        
P   10
  1     32.4690000              0.0013180        
  2     20.2970000             -0.0252900        
  3     12.6941000              0.1097100        
  4      5.2869700             -0.4629510        
  5      1.4202400              2.3397460        
  6      0.7343010             -2.2266480        
  7      0.3810460             -1.1081910        
  8      0.1971460              2.6957210        
  9      0.0952250             -0.9828420        
 10      0.0459080             -0.4244410        
P   1
  1      0.0217670              1.0000000        
D   9
  1     47.7382000              0.0000420        
  2     15.0360000             -0.0012520        
  3      9.3875900              0.0144400        
  4      5.1609800             -0.0676120        
  5      1.6027500              0.1717950        
  6      0.8343150              0.3138640        
  7      0.4207260              0.3428700        
  8      0.2047550              0.2655630        
  9      0.0957060              0.1355580        
D   9
  1     47.7382000             -0.0000470        
  2     15.0360000              0.0013030        
  3      9.3875900             -0.0157960        
  4      5.1609800              0.0766030        
  5      1.6027500             -0.2203650        
  6      0.8343150             -0.4468310        
  7      0.4207260             -0.1480700        
  8      0.2047550              0.4277470        
  9      0.0957060              0.4973000        
D   9
  1     47.7382000             -0.0000670        
  2     15.0360000              0.0003250        
  3      9.3875900              0.0181980        
  4      5.1609800             -0.1178440        
  5      1.6027500              0.5306130        
  6      0.8343150              0.5052540        
  7      0.4207260             -0.7784010        
  8      0.2047550             -0.5695280        
  9      0.0957060              0.6333480        
D   9
  1     47.7382000              0.0009540        
  2     15.0360000             -0.0145770        
  3      9.3875900              0.0668650        
  4      5.1609800             -0.2302910        
  5      1.6027500              1.2509670        
  6      0.8343150             -0.5515880        
  7      0.4207260             -1.4396770        
  8      0.2047550              1.7125070        
  9      0.0957060             -0.2654990        
D   1
  1      0.0419030              1.0000000        
F   1
  1      1.2327000              1.0000000        
F   1
  1      0.4897000              1.0000000        
F   1
  1      0.1945000              1.0000000        
G   1
  1      1.2222000              1.0000000        
G   1
  1      0.4133000              1.0000000        
H   1
  1      0.8087000              1.0000000        


name: cc-pVQZ-PP
description: VQZP Valence Quadruple Zeta + Polarization on All Atoms
elt: Os
data:
OSMIUM
S   13
  1     88.2006000              0.0006090        
  2     55.1180000             -0.0057630        
  3     34.4482000              0.0399770        
  4     21.5217000             -0.1928220        
  5     13.4044000              0.4375150        
  6      7.0802200             -0.2402670        
  7      4.3353500             -0.6446130        
  8      2.6646000              0.0080600        
  9      1.3201000              0.7119800        
 10      0.7030860              0.5543000        
 11      0.3585070              0.1138550        
 12      0.1567570              0.0044490        
 13      0.0704870              0.0013710        
S   13
  1     88.2006000             -0.0001370        
  2     55.1180000              0.0015220        
  3     34.4482000             -0.0121600        
  4     21.5217000              0.0632540        
  5     13.4044000             -0.1499420        
  6      7.0802200              0.0892650        
  7      4.3353500              0.2391400        
  8      2.6646000             -0.0095340        
  9      1.3201000             -0.3288700        
 10      0.7030860             -0.3731540        
 11      0.3585070             -0.0749070        
 12      0.1567570              0.4235470        
 13      0.0704870              0.6120600        
S   13
  1     88.2006000             -0.0001790        
  2     55.1180000             -0.0003850        
  3     34.4482000              0.0154440        
  4     21.5217000             -0.1044350        
  5     13.4044000              0.2649760        
  6      7.0802200             -0.1403670        
  7      4.3353500             -0.5192940        
  8      2.6646000              0.0234310        
  9      1.3201000              0.8927930        
 10      0.7030860              1.0766050        
 11      0.3585070             -1.5497940        
 12      0.1567570             -1.1321140        
 13      0.0704870              1.0563670        
S   13
  1     88.2006000              0.0013940        
  2     55.1180000             -0.0098010        
  3     34.4482000              0.0506940        
  4     21.5217000             -0.2173830        
  5     13.4044000              0.4993420        
  6      7.0802200             -0.3676680        
  7      4.3353500             -0.6773930        
  8      2.6646000             -0.3262780        
  9      1.3201000              3.7857020        
 10      0.7030860             -2.2376600        
 11      0.3585070             -2.6737740        
 12      0.1567570              3.4798650        
 13      0.0704870             -0.6550940        
S   13
  1     88.2006000              0.0119650        
  2     55.1180000             -0.0648350        
  3     34.4482000              0.1667400        
  4     21.5217000             -0.2028200        
  5     13.4044000              0.0740870        
  6      7.0802200             -0.9957190        
  7      4.3353500              3.8484290        
  8      2.6646000             -2.7108190        
  9      1.3201000             -5.9258730        
 10      0.7030860             12.4114900        
 11      0.3585070             -9.7779040        
 12      0.1567570              3.1563620        
 13      0.0704870              0.9797310        
S   1
  1      0.0318370              1.0000000        
P   10
  1     34.4538000              0.0026020        
  2     21.5352000             -0.0226770        
  3     13.4667000              0.0765000        
  4      5.4212400             -0.2805070        
  5      1.5072000              0.4691690        
  6      0.7852120              0.4726960        
  7      0.4101120              0.1998810        
  8      0.2131350              0.0328220        
  9      0.1007730              0.0045210        
 10      0.0475860             -0.0002090        
P   10
  1     34.4538000             -0.0004860        
  2     21.5352000              0.0055470        
  3     13.4667000             -0.0210020        
  4      5.4212400              0.0840370        
  5      1.5072000             -0.1672940        
  6      0.7852120             -0.1910410        
  7      0.4101120             -0.0601410        
  8      0.2131350              0.2088230        
  9      0.1007730              0.4505520        
 10      0.0475860              0.4058320        
P   10
  1     34.4538000             -0.0009960        
  2     21.5352000              0.0105380        
  3     13.4667000             -0.0390140        
  4      5.4212400              0.1558430        
  5      1.5072000             -0.3274530        
  6      0.7852120             -0.3897860        
  7      0.4101120              0.0552590        
  8      0.2131350              0.6453450        
  9      0.1007730              0.4392330        
 10      0.0475860              0.0458690        
P   10
  1     34.4538000             -0.0034350        
  2     21.5352000              0.0245630        
  3     13.4667000             -0.0772030        
  4      5.4212400              0.2984360        
  5      1.5072000             -0.9059580        
  6      0.7852120             -0.4693980        
  7      0.4101120              1.6277740        
  8      0.2131350              0.1275790        
  9      0.1007730             -0.8670940        
 10      0.0475860             -0.1952430        
P   10
  1     34.4538000             -0.0014480        
  2     21.5352000             -0.0135590        
  3     13.4667000              0.0892570        
  4      5.4212400             -0.4749820        
  5      1.5072000              2.6052390        
  6      0.7852120             -2.8769040        
  7      0.4101120             -0.4307110        
  8      0.2131350              2.4141580        
  9      0.1007730             -1.0494770        
 10      0.0475860             -0.3535840        
P   1
  1      0.0221800              1.0000000        
D   9
  1     46.1455000              0.0000690        
  2     17.4458000             -0.0010520        
  3     10.8908000              0.0100340        
  4      5.4010400             -0.0624020        
  5      1.7049400              0.1801220        
  6      0.8973250              0.3211200        
  7      0.4561300              0.3405410        
  8      0.2232570              0.2566720        
  9      0.1048330              0.1277410        
D   9
  1     46.1455000             -0.0001310        
  2     17.4458000              0.0016440        
  3     10.8908000             -0.0126990        
  4      5.4010400              0.0767760        
  5      1.7049400             -0.2526490        
  6      0.8973250             -0.4906830        
  7      0.4561300             -0.0789280        
  8      0.2232570              0.4814540        
  9      0.1048330              0.4524130        
D   9
  1     46.1455000              0.0002460        
  2     17.4458000             -0.0027010        
  3     10.8908000              0.0198360        
  4      5.4010400             -0.1263280        
  5      1.7049400              0.6377010        
  6      0.8973250              0.4486600        
  7      0.4561300             -1.0127690        
  8      0.2232570             -0.3275190        
  9      0.1048330              0.6835000        
D   9
  1     46.1455000              0.0009660        
  2     17.4458000             -0.0105910        
  3     10.8908000              0.0462480        
  4      5.4010400             -0.2268280        
  5      1.7049400              1.6025830        
  6      0.8973250             -1.3450410        
  7      0.4561300             -0.7878900        
  8      0.2232570              1.6682930        
  9      0.1048330             -0.5570430        
D   1
  1      0.0461230              1.0000000        
F   1
  1      1.3751000              1.0000000        
F   1
  1      0.5584000              1.0000000        
F   1
  1      0.2268000              1.0000000        
G   1
  1      1.3769000              1.0000000        
G   1
  1      0.4759000              1.0000000        
H   1
  1      0.9164000              1.0000000        


name: cc-pVQZ-PP
description: VQZP Valence Quadruple Zeta + Polarization on All Atoms
elt: Ir
data:
IRIDIUM
S   13
  1     99.3982000              0.0004580        
  2     59.7348000             -0.0046060        
  3     37.3064000              0.0316100        
  4     23.3112000             -0.1428720        
  5     13.4959000              0.3942810        
  6      7.6049800             -0.2127580        
  7      4.5313300             -0.6912870        
  8      2.3087100              0.0445860        
  9      1.3601100              0.7267130        
 10      0.7322980              0.5268050        
 11      0.3813520              0.1082530        
 12      0.1640300              0.0055800        
 13      0.0737290              0.0013060        
S   13
  1     99.3982000             -0.0001200        
  2     59.7348000              0.0013160        
  3     37.3064000             -0.0099630        
  4     23.3112000              0.0478750        
  5     13.4959000             -0.1385630        
  6      7.6049800              0.0830830        
  7      4.5313300              0.2569740        
  8      2.3087100             -0.0292970        
  9      1.3601100             -0.3396010        
 10      0.7322980             -0.3604030        
 11      0.3813520             -0.0562520        
 12      0.1640300              0.4218680        
 13      0.0737290              0.6036200        
S   13
  1     99.3982000              0.0002210        
  2     59.7348000             -0.0001990        
  3     37.3064000             -0.0113270        
  4     23.3112000              0.0794760        
  5     13.4959000             -0.2534940        
  6      7.6049800              0.1289840        
  7      4.5313300              0.5909610        
  8      2.3087100             -0.0593750        
  9      1.3601100             -1.0626430        
 10      0.7322980             -0.9731780        
 11      0.3813520              1.7188600        
 12      0.1640300              0.9367500        
 13      0.0737290             -1.0082480        
S   13
  1     99.3982000             -0.0005110        
  2     59.7348000              0.0015380        
  3     37.3064000              0.0130200        
  4     23.3112000             -0.1133550        
  5     13.4959000              0.3795890        
  6      7.6049800             -0.1479200        
  7      4.5313300             -1.1631820        
  8      2.3087100              0.1491150        
  9      1.3601100              4.0963770        
 10      0.7322980             -3.3812610        
 11      0.3813520             -1.6774500        
 12      0.1640300              3.1755010        
 13      0.0737290             -0.7454630        
S   13
  1     99.3982000             -0.0132150        
  2     59.7348000              0.0783910        
  3     37.3064000             -0.2111880        
  4     23.3112000              0.2858610        
  5     13.4959000             -0.2379870        
  6      7.6049800              1.2800340        
  7      4.5313300             -4.3148610        
  8      2.3087100              5.6632220        
  9      1.3601100              1.5419410        
 10      0.7322980            -10.3480140        
 11      0.3813520              9.5660340        
 12      0.1640300             -3.5876350        
 13      0.0737290             -0.5221100        
S   1
  1      0.0331980              1.0000000        
P   10
  1     36.4097000              0.0023870        
  2     22.7558000             -0.0206380        
  3     14.2284000              0.0702780        
  4      5.5960900             -0.2798050        
  5      1.5973000              0.4739250        
  6      0.8378880              0.4710650        
  7      0.4411290              0.1978030        
  8      0.2344660              0.0338300        
  9      0.1115150              0.0051130        
 10      0.0528360             -0.0002720        
P   10
  1     36.4097000             -0.0004360        
  2     22.7558000              0.0051630        
  3     14.2284000             -0.0200500        
  4      5.5960900              0.0879310        
  5      1.5973000             -0.1789800        
  6      0.8378880             -0.1980510        
  7      0.4411290             -0.0603120        
  8      0.2344660              0.2143880        
  9      0.1115150              0.4546260        
 10      0.0528360              0.4018720        
P   10
  1     36.4097000             -0.0010530        
  2     22.7558000              0.0108300        
  3     14.2284000             -0.0403920        
  4      5.5960900              0.1766660        
  5      1.5973000             -0.3992470        
  6      0.8378880             -0.4077810        
  7      0.4411290              0.1392320        
  8      0.2344660              0.6411880        
  9      0.1115150              0.4014080        
 10      0.0528360              0.0408130        
P   10
  1     36.4097000             -0.0039200        
  2     22.7558000              0.0258350        
  3     14.2284000             -0.0785180        
  4      5.5960900              0.3276760        
  5      1.5973000             -1.0985930        
  6      0.8378880             -0.2325000        
  7      0.4411290              1.6725640        
  8      0.2344660             -0.0845670        
  9      0.1115150             -0.8015440        
 10      0.0528360             -0.1976930        
P   10
  1     36.4097000              0.0080660        
  2     22.7558000             -0.0114990        
  3     14.2284000             -0.0537570        
  4      5.5960900              0.4715090        
  5      1.5973000             -2.8764400        
  6      0.8378880              3.6250360        
  7      0.4411290             -0.3925860        
  8      0.2344660             -2.0037910        
  9      0.1115150              0.9419720        
 10      0.0528360              0.3970350        
P   1
  1      0.0246160              1.0000000        
D   9
  1     52.9731000              0.0000690        
  2     19.0521000             -0.0008690        
  3     11.8598000              0.0088410        
  4      5.7186000             -0.0614440        
  5      1.8057500              0.1897440        
  6      0.9571620              0.3281660        
  7      0.4901660              0.3375200        
  8      0.2416410              0.2474600        
  9      0.1142040              0.1199030        
D   9
  1     52.9731000             -0.0001380        
  2     19.0521000              0.0015270        
  3     11.8598000             -0.0111590        
  4      5.7186000              0.0729160        
  5      1.8057500             -0.2570590        
  6      0.9571620             -0.4663920        
  7      0.4901660             -0.0753040        
  8      0.2416410              0.4160710        
  9      0.1142040              0.4628000        
D   9
  1     52.9731000              0.0004330        
  2     19.0521000             -0.0044960        
  3     11.8598000              0.0215990        
  4      5.7186000             -0.1214710        
  5      1.8057500              0.6027800        
  6      0.9571620              0.4503180        
  7      0.4901660             -0.8956850        
  8      0.2416410             -0.4187670        
  9      0.1142040              0.5525300        
D   9
  1     52.9731000             -0.0005010        
  2     19.0521000              0.0057870        
  3     11.8598000             -0.0318090        
  4      5.7186000              0.1983400        
  5      1.8057500             -1.5056470        
  6      0.9571620              1.1365150        
  7      0.4901660              0.9103540        
  8      0.2416410             -1.4285030        
  9      0.1142040              0.1201680        
D   1
  1      0.0505400              1.0000000        
F   1
  1      1.5196000              1.0000000        
F   1
  1      0.6298000              1.0000000        
F   1
  1      0.2610000              1.0000000        
G   1
  1      1.5403000              1.0000000        
G   1
  1      0.5442000              1.0000000        
H   1
  1      1.0330000              1.0000000        


name: cc-pVQZ-PP
description: VQZP Valence Quadruple Zeta + Polarization on All Atoms
elt: Pt
data:
PLATINUM
S   13
  1    103.6120000              0.0005410        
  2     64.6859000             -0.0042820        
  3     39.8400000              0.0279230        
  4     24.9011000             -0.1215420        
  5     14.0033000              0.3554330        
  6      7.8909000             -0.1534930        
  7      4.8456000             -0.7258970        
  8      2.3501200              0.0097520        
  9      1.4671700              0.7419290        
 10      0.7806710              0.5463830        
 11      0.3946960              0.1046140        
 12      0.1753230              0.0041520        
 13      0.0788420              0.0020360        
S   13
  1    103.6120000             -0.0001630        
  2     64.6859000              0.0013240        
  3     39.8400000             -0.0091150        
  4     24.9011000              0.0414900        
  5     14.0033000             -0.1272130        
  6      7.8909000              0.0650280        
  7      4.8456000              0.2695050        
  8      2.3501200             -0.0189050        
  9      1.4671700             -0.3462670        
 10      0.7806710             -0.3651790        
 11      0.3946960             -0.0511390        
 12      0.1753230              0.4075980        
 13      0.0788420              0.5982990        
S   13
  1    103.6120000             -0.0000140        
  2     64.6859000              0.0009880        
  3     39.8400000             -0.0135500        
  4     24.9011000              0.0756570        
  5     14.0033000             -0.2479560        
  6      7.8909000              0.1113150        
  7      4.8456000              0.6080690        
  8      2.3501200              0.0444240        
  9      1.4671700             -1.2579130        
 10      0.7806710             -0.8214190        
 11      0.3946960              1.7271730        
 12      0.1753230              0.7946170        
 13      0.0788420             -0.8962850        
S   13
  1    103.6120000             -0.0005030        
  2     64.6859000              0.0014690        
  3     39.8400000              0.0108430        
  4     24.9011000             -0.0940950        
  5     14.0033000              0.3378940        
  6      7.8909000             -0.0650820        
  7      4.8456000             -1.2245280        
  8      2.3501200              0.1173930        
  9      1.4671700              4.0554430        
 10      0.7806710             -3.3801850        
 11      0.3946960             -1.5351860        
 12      0.1753230              2.9459960        
 13      0.0788420             -0.4434390        
S   13
  1    103.6120000             -0.0140470        
  2     64.6859000              0.0725050        
  3     39.8400000             -0.1892580        
  4     24.9011000              0.2492270        
  5     14.0033000             -0.2112040        
  6      7.8909000              1.3748360        
  7      4.8456000             -4.3141010        
  8      2.3501200              6.2274430        
  9      1.4671700              0.2464040        
 10      0.7806710             -8.7140170        
 11      0.3946960              8.0961770        
 12      0.1753230             -2.6016490        
 13      0.0788420             -1.3052060        
S   1
  1      0.0353890              1.0000000        
P   10
  1     37.9380000              0.0022880        
  2     23.7097000             -0.0197140        
  3     14.8236000              0.0680900        
  4      5.7904600             -0.2834570        
  5      1.6955600              0.4743470        
  6      0.8984940              0.4685560        
  7      0.4791880              0.1999420        
  8      0.2565920              0.0374850        
  9      0.1170930              0.0049230        
 10      0.0536550             -0.0002350        
P   10
  1     37.9380000             -0.0003110        
  2     23.7097000              0.0043080        
  3     14.8236000             -0.0177850        
  4      5.7904600              0.0831780        
  5      1.6955600             -0.1697580        
  6      0.8984940             -0.1738130        
  7      0.4791880             -0.0704300        
  8      0.2565920              0.1836310        
  9      0.1170930              0.4407300        
 10      0.0536550              0.4297890        
P   10
  1     37.9380000             -0.0011220        
  2     23.7097000              0.0110810        
  3     14.8236000             -0.0414980        
  4      5.7904600              0.1899730        
  5      1.6955600             -0.4366320        
  6      0.8984940             -0.4092230        
  7      0.4791880              0.1550110        
  8      0.2565920              0.6645690        
  9      0.1170930              0.3881160        
 10      0.0536550              0.0254450        
P   10
  1     37.9380000             -0.0041670        
  2     23.7097000              0.0265230        
  3     14.8236000             -0.0799420        
  4      5.7904600              0.3477530        
  5      1.6955600             -1.1962950        
  6      0.8984940             -0.1291690        
  7      0.4791880              1.6717400        
  8      0.2565920             -0.1548040        
  9      0.1170930             -0.8066650        
 10      0.0536550             -0.1591940        
P   10
  1     37.9380000              0.0103860        
  2     23.7097000             -0.0201920        
  3     14.8236000             -0.0425740        
  4      5.7904600              0.4853910        
  5      1.6955600             -3.0474380        
  6      0.8984940              3.9852690        
  7      0.4791880             -0.7191050        
  8      0.2565920             -1.8265930        
  9      0.1170930              0.9270640        
 10      0.0536550              0.3635220        
P   1
  1      0.0243160              1.0000000        
D   9
  1     64.4513000              0.0000680        
  2     19.3509000             -0.0005040        
  3     12.0833000              0.0083040        
  4      5.9549800             -0.0611390        
  5      1.9173700              0.1964910        
  6      1.0249700              0.3325240        
  7      0.5295130              0.3345920        
  8      0.2633060              0.2408270        
  9      0.1253540              0.1146710        
D   9
  1     64.4513000             -0.0001260        
  2     19.3509000              0.0011530        
  3     12.0833000             -0.0110570        
  4      5.9549800              0.0760890        
  5      1.9173700             -0.2885010        
  6      1.0249700             -0.4787580        
  7      0.5295130             -0.0290100        
  8      0.2633060              0.4365010        
  9      0.1253540              0.4392350        
D   9
  1     64.4513000              0.0004210        
  2     19.3509000             -0.0050290        
  3     12.0833000              0.0243060        
  4      5.9549800             -0.1285460        
  5      1.9173700              0.6635180        
  6      1.0249700              0.3912420        
  7      0.5295130             -0.9712290        
  8      0.2633060             -0.3239450        
  9      0.1253540              0.5670810        
D   9
  1     64.4513000              0.0000130        
  2     19.3509000             -0.0007420        
  3     12.0833000             -0.0189880        
  4      5.9549800              0.1919930        
  5      1.9173700             -1.6656810        
  6      1.0249700              1.4998920        
  7      0.5295130              0.6224520        
  8      0.2633060             -1.3952750        
  9      0.1253540              0.2067550        
D   1
  1      0.0558110              1.0000000        
F   1
  1      1.6660000              1.0000000        
F   1
  1      0.7019000              1.0000000        
F   1
  1      0.2958000              1.0000000        
G   1
  1      1.7070000              1.0000000        
G   1
  1      0.6166000              1.0000000        
H   1
  1      1.1498000              1.0000000        


name: cc-pVQZ-PP
description: VQZP Valence Quadruple Zeta + Polarization on All Atoms
elt: Au
data:
GOLD
S   13
  1   1403.8400000              0.0000090        
  2     98.8655000              0.0007400        
  3     61.6103000             -0.0059430        
  4     38.4670000              0.0384440        
  5     24.0230000             -0.1847220        
  6     14.9251000              0.4326540        
  7      7.3979500             -0.3385500        
  8      4.6219200             -0.6038720        
  9      1.7196100              0.6213980        
 10      0.9556040              0.6413890        
 11      0.4955840              0.1742400        
 12      0.2037700              0.0084930        
 13      0.0883320              0.0015920        
S   13
  1   1403.8400000             -0.0000030        
  2     98.8655000             -0.0002870        
  3     61.6103000              0.0021480        
  4     38.4670000             -0.0132580        
  5     24.0230000              0.0639000        
  6     14.9251000             -0.1539000        
  7      7.3979500              0.1370550        
  8      4.6219200              0.2150480        
  9      1.7196100             -0.2974980        
 10      0.9556040             -0.3719440        
 11      0.4955840             -0.1326630        
 12      0.2037700              0.3601880        
 13      0.0883320              0.6234710        
S   13
  1   1403.8400000             -0.0000060        
  2     98.8655000             -0.0006540        
  3     61.6103000              0.0045960        
  4     38.4670000             -0.0269110        
  5     24.0230000              0.1284200        
  6     14.9251000             -0.3115220        
  7      7.3979500              0.2723770        
  8      4.6219200              0.5006430        
  9      1.7196100             -0.8481520        
 10      0.9556040             -1.3047410        
 11      0.4955840              1.4622140        
 12      0.2037700              1.1438780        
 13      0.0883320             -0.7584210        
S   13
  1   1403.8400000             -0.0000160        
  2     98.8655000              0.0014070        
  3     61.6103000             -0.0063250        
  4     38.4670000             -0.0005930        
  5     24.0230000              0.1074110        
  6     14.9251000             -0.3455100        
  7      7.3979500              0.2038070        
  8      4.6219200              1.1112970        
  9      1.7196100             -3.1991300        
 10      0.9556040              0.8134510        
 11      0.4955840              3.1814680        
 12      0.2037700             -2.4541020        
 13      0.0883320             -0.4960330        
S   13
  1   1403.8400000              0.0000380        
  2     98.8655000             -0.0158500        
  3     61.6103000              0.0864280        
  4     38.4670000             -0.2655710        
  5     24.0230000              0.6411340        
  6     14.9251000             -1.0951470        
  7      7.3979500              1.1586130        
  8      4.6219200              1.0457890        
  9      1.7196100             -8.3301350        
 10      0.9556040             11.8469770        
 11      0.4955840             -5.9776210        
 12      0.2037700             -0.7003390        
 13      0.0883320              3.1033340        
S   1
  1      0.0383800              1.0000000        
P   10
  1     38.2384000              0.0025440        
  2     23.8975000             -0.0212200        
  3     14.9411000              0.0745370        
  4      6.0974600             -0.2904710        
  5      1.7764500              0.4859980        
  6      0.9433330              0.4668230        
  7      0.5075860              0.1905620        
  8      0.2788190              0.0368290        
  9      0.1265610              0.0050260        
 10      0.0576300             -0.0002420        
P   10
  1     38.2384000             -0.0003580        
  2     23.8975000              0.0046250        
  3     14.9411000             -0.0194900        
  4      6.0974600              0.0854730        
  5      1.7764500             -0.1760270        
  6      0.9433330             -0.1709450        
  7      0.5075860             -0.0705780        
  8      0.2788190              0.1781830        
  9      0.1265610              0.4375940        
 10      0.0576300              0.4357120        
P   10
  1     38.2384000             -0.0013070        
  2     23.8975000              0.0119300        
  3     14.9411000             -0.0448560        
  4      6.0974600              0.1909790        
  5      1.7764500             -0.4386610        
  6      0.9433330             -0.3960480        
  7      0.5075860              0.1302710        
  8      0.2788190              0.6604720        
  9      0.1265610              0.4090810        
 10      0.0576300              0.0306010        
P   10
  1     38.2384000             -0.0045570        
  2     23.8975000              0.0286310        
  3     14.9411000             -0.0879770        
  4      6.0974600              0.3577880        
  5      1.7764500             -1.2377500        
  6      0.9433330             -0.0700640        
  7      0.5075860              1.6256530        
  8      0.2788190             -0.1061240        
  9      0.1265610             -0.8142740        
 10      0.0576300             -0.1729260        
P   10
  1     38.2384000              0.0106050        
  2     23.8975000             -0.0205480        
  3     14.9411000             -0.0480130        
  4      6.0974600              0.4932400        
  5      1.7764500             -3.1135120        
  6      0.9433330              4.1463100        
  7      0.5075860             -0.8180840        
  8      0.2788190             -1.7883020        
  9      0.1265610              0.8552750        
 10      0.0576300              0.4014420        
P   1
  1      0.0258940              1.0000000        
D   9
  1     63.8112000              0.0000800        
  2     20.7582000             -0.0007480        
  3     12.9143000              0.0095170        
  4      6.3557100             -0.0660540        
  5      2.0708700              0.1946510        
  6      1.1376900              0.3284690        
  7      0.6067780              0.3311780        
  8      0.3124420              0.2382780        
  9      0.1540440              0.1126730        
D   9
  1     63.8112000             -0.0001870        
  2     20.7582000              0.0018800        
  3     12.9143000             -0.0144830        
  4      6.3557100              0.0924210        
  5      2.0708700             -0.3364040        
  6      1.1376900             -0.5298960        
  7      0.6067780              0.0326050        
  8      0.3124420              0.4869650        
  9      0.1540440              0.3971970        
D   9
  1     63.8112000              0.0006710        
  2     20.7582000             -0.0078160        
  3     12.9143000              0.0333940        
  4      6.3557100             -0.1592270        
  5      2.0708700              0.8199200        
  6      1.1376900              0.2962380        
  7      0.6067780             -1.2094240        
  8      0.3124420             -0.0975860        
  9      0.1540440              0.6326270        
D   9
  1     63.8112000              0.0009760        
  2     20.7582000             -0.0111920        
  3     12.9143000             -0.0000080        
  4      6.3557100              0.2043670        
  5      2.0708700             -2.0945970        
  6      1.1376900              2.4496430        
  7      0.6067780             -0.1199040        
  8      0.3124420             -1.3458080        
  9      0.1540440              0.4747170        
D   1
  1      0.0711190              1.0000000        
F   1
  1      1.8725000              1.0000000        
F   1
  1      0.7960000              1.0000000        
F   1
  1      0.3384000              1.0000000        
G   1
  1      1.9037000              1.0000000        
G   1
  1      0.7018000              1.0000000        
H   1
  1      1.2672000              1.0000000        


name: cc-pVQZ-PP
description: VQZP Valence Quadruple Zeta + Polarization on All Atoms
elt: Hg
data:
MERCURY
S   13
  1   8630.8100000              0.0000090        
  2   1283.2600000              0.0000660        
  3    283.3070000              0.0002510        
  4     34.6635000              0.0149190        
  5     21.5638000             -0.1362110        
  6     13.4091000              0.4613660        
  7      7.8202700             -0.3696460        
  8      4.8853400             -0.6293820        
  9      1.7671400              0.6764100        
 10      0.9649210              0.6278350        
 11      0.4918620              0.1403450        
 12      0.2114770              0.0043010        
 13      0.0913810              0.0002370        
S   13
  1   8630.8100000              0.0000040        
  2   1283.2600000              0.0000250        
  3    283.3070000              0.0000970        
  4     34.6635000              0.0051520        
  5     21.5638000             -0.0484270        
  6     13.4091000              0.1726080        
  7      7.8202700             -0.1646160        
  8      4.8853400             -0.2168790        
  9      1.7671400              0.3333150        
 10      0.9649210              0.3795260        
 11      0.4918620              0.0969840        
 12      0.2114770             -0.3986080        
 13      0.0913810             -0.6167610        
S   13
  1   8630.8100000              0.0000080        
  2   1283.2600000              0.0000550        
  3    283.3070000              0.0002390        
  4     34.6635000              0.0101900        
  5     21.5638000             -0.1020190        
  6     13.4091000              0.3774670        
  7      7.8202700             -0.3523890        
  8      4.8853400             -0.5798870        
  9      1.7671400              1.2286510        
 10      0.9649210              1.1010790        
 11      0.4918620             -1.8511230        
 12      0.2114770             -0.8243020        
 13      0.0913810              0.9526400        
S   13
  1   8630.8100000              0.0000130        
  2   1283.2600000              0.0000650        
  3    283.3070000              0.0004170        
  4     34.6635000              0.0070780        
  5     21.5638000             -0.1058240        
  6     13.4091000              0.4418890        
  7      7.8202700             -0.2909040        
  8      4.8853400             -1.2906930        
  9      1.7671400              4.5311250        
 10      0.9649210             -3.1426130        
 11      0.4918620             -2.1864450        
 12      0.2114770              3.5030800        
 13      0.0913810             -0.9786360        
S   13
  1   8630.8100000              0.0000090        
  2   1283.2600000             -0.0005590        
  3    283.3070000              0.0017000        
  4     34.6635000             -0.2081090        
  5     21.5638000              1.1201160        
  6     13.4091000             -2.9639790        
  7      7.8202700              4.5463850        
  8      4.8853400             -1.7965670        
  9      1.7671400             -7.5297170        
 10      0.9649210             14.3323400        
 11      0.4918620            -11.4744850        
 12      0.2114770              4.7479960        
 13      0.0913810             -0.3556550        
S   1
  1      0.0396610              1.0000000        
P   10
  1     38.2938000              0.0026410        
  2     23.9271000             -0.0212850        
  3     14.9555000              0.0778820        
  4      6.3153600             -0.2996290        
  5      1.8977500              0.4796160        
  6      1.0214900              0.4704650        
  7      0.5518790              0.1985100        
  8      0.2926970              0.0370840        
  9      0.1304920              0.0038680        
 10      0.0586130             -0.0000090        
P   10
  1     38.2938000             -0.0002970        
  2     23.9271000              0.0041670        
  3     14.9555000             -0.0192670        
  4      6.3153600              0.0849230        
  5      1.8977500             -0.1685650        
  6      1.0214900             -0.1618750        
  7      0.5518790             -0.0744770        
  8      0.2926970              0.1721280        
  9      0.1304920              0.4338950        
 10      0.0586130              0.4398990        
P   10
  1     38.2938000             -0.0011620        
  2     23.9271000              0.0108590        
  3     14.9555000             -0.0440970        
  4      6.3153600              0.1881240        
  5      1.8977500             -0.4085970        
  6      1.0214900             -0.3911550        
  7      0.5518790              0.0907750        
  8      0.2926970              0.6711120        
  9      0.1304920              0.4206810        
 10      0.0586130              0.0315370        
P   10
  1     38.2938000             -0.0045930        
  2     23.9271000              0.0282990        
  3     14.9555000             -0.0904990        
  4      6.3153600              0.3639660        
  5      1.8977500             -1.1777460        
  6      1.0214900             -0.2063620        
  7      0.5518790              1.6160990        
  8      0.2926970              0.0022430        
  9      0.1304920             -0.8518630        
 10      0.0586130             -0.1487560        
P   10
  1     38.2938000             -0.0075320        
  2     23.9271000              0.0104010        
  3     14.9555000              0.0657390        
  4      6.3153600             -0.5283100        
  5      1.8977500              3.1374050        
  6      1.0214900             -3.9142240        
  7      0.5518790              0.4368260        
  8      0.2926970              1.9816000        
  9      0.1304920             -0.9444140        
 10      0.0586130             -0.3385740        
P   1
  1      0.0260970              1.0000000        
D   9
  1     70.1490000              0.0000870        
  2     21.6955000             -0.0006170        
  3     13.4986000              0.0095880        
  4      6.7047800             -0.0672710        
  5      2.1920000              0.2029970        
  6      1.2171500              0.3331230        
  7      0.6609710              0.3268120        
  8      0.3488820              0.2283160        
  9      0.1770630              0.1044170        
D   9
  1     70.1490000             -0.0002170        
  2     21.6955000              0.0020040        
  3     13.4986000             -0.0161650        
  4      6.7047800              0.1027230        
  5      2.1920000             -0.4032390        
  6      1.2171500             -0.5523160        
  7      0.6609710              0.1242760        
  8      0.3488820              0.5170710        
  9      0.1770630              0.3493250        
D   9
  1     70.1490000             -0.0007190        
  2     21.6955000              0.0088660        
  3     13.4986000             -0.0384430        
  4      6.7047800              0.1785180        
  5      2.1920000             -0.9959520        
  6      1.2171500             -0.0997170        
  7      0.6609710              1.3725970        
  8      0.3488820             -0.1544020        
  9      0.1770630             -0.6751060        
D   9
  1     70.1490000             -0.0023960        
  2     21.6955000              0.0314370        
  3     13.4986000             -0.0451680        
  4      6.7047800             -0.1681110        
  5      2.1920000              2.4674650        
  6      1.2171500             -3.5155560        
  7      0.6609710              1.2021150        
  8      0.3488820              1.0535060        
  9      0.1770630             -0.7529190        
D   1
  1      0.0842580              1.0000000        
F   1
  1      2.0585000              1.0000000        
F   1
  1      0.8849000              1.0000000        
F   1
  1      0.3804000              1.0000000        
G   1
  1      2.1063000              1.0000000        
G   1
  1      0.7880000              1.0000000        
H   1
  1      1.3867000              1.0000000        


name: cc-pVQZ-PP
description: VQZP Valence Quadruple Zeta + Polarization on All Atoms
elt: Tl
data:
THALLIUM
S   10
  1   9675.5500000              0.0000080        
  2   1471.4800000              0.0000570        
  3    323.6480000              0.0002270        
  4     33.8079000              0.0216660        
  5     21.1316000             -0.1958970        
  6     13.2091000              0.6736200        
  7      8.2561100             -0.5716760        
  8      5.1001400             -0.6123440        
  9      1.8194300              0.7595440        
 10      0.9669850              0.6108060        
S   10
  1   9675.5500000              0.0000030        
  2   1471.4800000              0.0000230        
  3    323.6480000              0.0001000        
  4     33.8079000              0.0076940        
  5     21.1316000             -0.0735260        
  6     13.2091000              0.2690760        
  7      8.2561100             -0.2594630        
  8      5.1001400             -0.2291050        
  9      1.8194300              0.4061680        
 10      0.9669850              0.4373730        
S   1
  1      0.4663510              1.0000000        
S   1
  1      0.2295180              1.0000000        
S   1
  1      0.1040710              1.0000000        
S   1
  1      0.0461250              1.0000000        
P   7
  1     42.5240000              0.0016050        
  2     21.3957000             -0.0231590        
  3     13.3737000              0.1117380        
  4      6.6133700             -0.3464720        
  5      2.0421700              0.4750730        
  6      1.1144900              0.4863350        
  7      0.5980060              0.2051390        
P   7
  1     42.5240000             -0.0001300        
  2     21.3957000              0.0038550        
  3     13.3737000             -0.0241430        
  4      6.6133700              0.0857080        
  5      2.0421700             -0.1471330        
  6      1.1144900             -0.1420050        
  7      0.5980060             -0.0747340        
P   1
  1      0.3003370              1.0000000        
P   1
  1      0.1297770              1.0000000        
P   1
  1      0.0564350              1.0000000        
P   1
  1      0.0244930              1.0000000        
D   8
  1    185.9190000              0.0000240        
  2     53.2156000              0.0002100        
  3     10.5972000              0.0197150        
  4      6.4569400             -0.0903940        
  5      2.3923400              0.1875640        
  6      1.4194500              0.3016200        
  7      0.8390930              0.3078830        
  8      0.4873300              0.2364080        
D   1
  1      0.2763160              1.0000000        
D   1
  1      0.1522660              1.0000000        
D   1
  1      0.0677000              1.0000000        
F   1
  1      0.4263000              1.0000000        
F   1
  1      0.1690000              1.0000000        
G   1
  1      0.3693000              1.0000000        


name: cc-pVQZ-PP
description: VQZP Valence Quadruple Zeta + Polarization on All Atoms
elt: Pb
data:
LEAD
S   10
  1   9368.3300000              0.0000140        
  2   1366.9300000              0.0001030        
  3    299.6820000              0.0003790        
  4     34.8597000              0.0232740        
  5     21.7889000             -0.2034360        
  6     13.6200000              0.6992140        
  7      8.5129500             -0.6068410        
  8      5.3033200             -0.6113920        
  9      1.9281600              0.7652270        
 10      1.0360100              0.6198080        
S   10
  1   9368.3300000              0.0000060        
  2   1366.9300000              0.0000440        
  3    299.6820000              0.0001800        
  4     34.8597000              0.0087420        
  5     21.7889000             -0.0809920        
  6     13.6200000              0.2979620        
  7      8.5129500             -0.2957430        
  8      5.3033200             -0.2414090        
  9      1.9281600              0.4388870        
 10      1.0360100              0.4846770        
S   1
  1      0.5012700              1.0000000        
S   1
  1      0.2625190              1.0000000        
S   1
  1      0.1221610              1.0000000        
S   1
  1      0.0550880              1.0000000        
P   7
  1     59.0901000              0.0007160        
  2     20.9197000             -0.0210820        
  3     13.0777000              0.1270610        
  4      6.8991000             -0.3722840        
  5      2.1962700              0.4356630        
  6      1.3048600              0.4357350        
  7      0.7795720              0.2609470        
P   7
  1     59.0901000             -0.0000890        
  2     20.9197000              0.0043570        
  3     13.0777000             -0.0328070        
  4      6.8991000              0.1082010        
  5      2.1962700             -0.1645190        
  6      1.3048600             -0.1344040        
  7      0.7795720             -0.1395560        
P   1
  1      0.4244770              1.0000000        
P   1
  1      0.1807330              1.0000000        
P   1
  1      0.0797370              1.0000000        
P   1
  1      0.0346490              1.0000000        
D   8
  1    174.5020000              0.0000430        
  2     51.6379000              0.0003300        
  3     12.8135000              0.0107550        
  4      6.6654000             -0.0750940        
  5      2.5892700              0.1806780        
  6      1.5614100              0.3056960        
  7      0.9312330              0.3147490        
  8      0.5485470              0.2316090        
D   1
  1      0.3182980              1.0000000        
D   1
  1      0.1802510              1.0000000        
D   1
  1      0.0832000              1.0000000        
F   1
  1      0.4413000              1.0000000        
F   1
  1      0.1782000              1.0000000        
G   1
  1      0.3881000              1.0000000        


name: cc-pVQZ-PP
description: VQZP Valence Quadruple Zeta + Polarization on All Atoms
elt: Bi
data:
BISMUTH
S   10
  1   8131.0900000              0.0000290        
  2   1225.7700000              0.0002000        
  3    274.6720000              0.0006840        
  4     37.6164000              0.0202180        
  5     23.4804000             -0.1593260        
  6     14.1065000              0.6117260        
  7      8.8130500             -0.5446530        
  8      5.5077800             -0.6368840        
  9      2.0397700              0.7716980        
 10      1.0944000              0.6383670        
S   10
  1   8131.0900000              0.0000140        
  2   1225.7700000              0.0000950        
  3    274.6720000              0.0003450        
  4     37.6164000              0.0082520        
  5     23.4804000             -0.0679190        
  6     14.1065000              0.2810650        
  7      8.8130500             -0.2932820        
  8      5.5077800             -0.2634510        
  9      2.0397700              0.4777720        
 10      1.0944000              0.5285660        
S   1
  1      0.4915260              1.0000000        
S   1
  1      0.2899030              1.0000000        
S   1
  1      0.1381930              1.0000000        
S   1
  1      0.0635850              1.0000000        
P   7
  1     99.5914000              0.0003460        
  2     19.8964000             -0.0199760        
  3     12.4376000              0.1754460        
  4      7.7740000             -0.3795560        
  5      4.8399500             -0.0552620        
  6      2.2547800              0.5288840        
  7      1.1804900              0.5213240        
P   7
  1     99.5914000             -0.0001090        
  2     19.8964000              0.0060230        
  3     12.4376000             -0.0575250        
  4      7.7740000              0.1354320        
  5      4.8399500              0.0022100        
  6      2.2547800             -0.1991240        
  7      1.1804900             -0.2363190        
P   1
  1      0.5942240              1.0000000        
P   1
  1      0.2579700              1.0000000        
P   1
  1      0.1128680              1.0000000        
P   1
  1      0.0478850              1.0000000        
D   8
  1    176.9370000              0.0000560        
  2     52.4668000              0.0004280        
  3     13.7831000              0.0100960        
  4      6.8512100             -0.0784360        
  5      4.1778700              0.0128150        
  6      2.6091900              0.2088140        
  7      1.5516600              0.3416310        
  8      0.8899020              0.3401010        
D   1
  1      0.4852990              1.0000000        
D   1
  1      0.2468940              1.0000000        
D   1
  1      0.1044000              1.0000000        
F   1
  1      0.4803000              1.0000000        
F   1
  1      0.2006000              1.0000000        
G   1
  1      0.4203000              1.0000000        


name: cc-pVQZ-PP
description: VQZP Valence Quadruple Zeta + Polarization on All Atoms
elt: Po
data:
POLONIUM
S   10
  1   8913.2900000              0.0000470        
  2   1338.9800000              0.0003310        
  3    299.5380000              0.0011610        
  4     51.1489000              0.0078990        
  5     23.0156000             -0.1493470        
  6     14.3765000              0.6382420        
  7      8.9827900             -0.6170830        
  8      5.6129200             -0.6051970        
  9      2.1648400              0.7760860        
 10      1.1753800              0.6473360        
S   10
  1   8913.2900000              0.0000250        
  2   1338.9800000              0.0001710        
  3    299.5380000              0.0006350        
  4     51.1489000              0.0034610        
  5     23.0156000             -0.0670340        
  6     14.3765000              0.3079570        
  7      8.9827900             -0.3475240        
  8      5.6129200             -0.2562510        
  9      2.1648400              0.5038280        
 10      1.1753800              0.5738940        
S   1
  1      0.5448700              1.0000000        
S   1
  1      0.3132160              1.0000000        
S   1
  1      0.1516620              1.0000000        
S   1
  1      0.0699970              1.0000000        
P   7
  1    113.5570000              0.0003870        
  2     20.3639000             -0.0182550        
  3     12.7274000              0.1747760        
  4      7.9498400             -0.3987030        
  5      4.9647700             -0.0318120        
  6      2.3013000              0.5660470        
  7      1.1954500              0.5102220        
P   7
  1    113.5570000             -0.0001330        
  2     20.3639000              0.0056800        
  3     12.7274000             -0.0611670        
  4      7.9498400              0.1532440        
  5      4.9647700             -0.0074000        
  6      2.3013000             -0.2348380        
  7      1.1954500             -0.2548390        
P   1
  1      0.5928970              1.0000000        
P   1
  1      0.2732770              1.0000000        
P   1
  1      0.1204340              1.0000000        
P   1
  1      0.0512190              1.0000000        
D   8
  1    183.4470000              0.0000720        
  2     54.1133000              0.0005560        
  3     14.9758000              0.0092080        
  4      6.9236000             -0.0828180        
  5      3.7985900              0.0647560        
  6      2.3040400              0.3002410        
  7      1.3055400              0.3884360        
  8      0.7270960              0.2808920        
D   1
  1      0.4032940              1.0000000        
D   1
  1      0.2306510              1.0000000        
D   1
  1      0.1093000              1.0000000        
F   1
  1      0.4894000              1.0000000        
F   1
  1      0.2002000              1.0000000        
G   1
  1      0.4074000              1.0000000        


name: cc-pVQZ-PP
description: VQZP Valence Quadruple Zeta + Polarization on All Atoms
elt: At
data:
ASTATINE
S   10
  1   9090.2800000              0.0000350        
  2   1373.0700000              0.0002420        
  3    307.9500000              0.0008150        
  4     48.0176000              0.0084650        
  5     23.9099000             -0.1473330        
  6     14.9334000              0.6324150        
  7      9.3317100             -0.6164060        
  8      5.8320600             -0.6192580        
  9      2.2878700              0.7851240        
 10      1.2498300              0.6561210        
S   10
  1   9090.2800000              0.0000190        
  2   1373.0700000              0.0001270        
  3    307.9500000              0.0004560        
  4     48.0176000              0.0036750        
  5     23.9099000             -0.0682060        
  6     14.9334000              0.3173990        
  7      9.3317100             -0.3637490        
  8      5.8320600             -0.2725370        
  9      2.2878700              0.5344320        
 10      1.2498300              0.6128990        
S   1
  1      0.5753680              1.0000000        
S   1
  1      0.3314590              1.0000000        
S   1
  1      0.1633670              1.0000000        
S   1
  1      0.0762100              1.0000000        
P   7
  1    124.6020000              0.0004680        
  2     20.8899000             -0.0161240        
  3     13.0585000              0.1711960        
  4      8.1606100             -0.4088750        
  5      5.0980800             -0.0164070        
  6      2.3787600              0.5881720        
  7      1.2375500              0.5009970        
P   7
  1    124.6020000             -0.0001750        
  2     20.8899000              0.0050450        
  3     13.0585000             -0.0633590        
  4      8.1606100              0.1679510        
  5      5.0980800             -0.0150700        
  6      2.3787600             -0.2661650        
  7      1.2375500             -0.2690180        
P   1
  1      0.6083250              1.0000000        
P   1
  1      0.2897820              1.0000000        
P   1
  1      0.1300040              1.0000000        
P   1
  1      0.0560960              1.0000000        
D   8
  1    183.9130000              0.0000970        
  2     54.5133000              0.0007290        
  3     15.7516000              0.0094680        
  4      7.0243700             -0.0900910        
  5      4.3867400              0.0564460        
  6      2.5615800              0.2838740        
  7      1.5088200              0.3664450        
  8      0.8921510              0.2844520        
D   1
  1      0.5181700              1.0000000        
D   1
  1      0.2837320              1.0000000        
D   1
  1      0.1270000              1.0000000        
F   1
  1      0.5389000              1.0000000        
F   1
  1      0.2287000              1.0000000        
G   1
  1      0.4363000              1.0000000        


name: cc-pVQZ-PP
description: VQZP Valence Quadruple Zeta + Polarization on All Atoms
elt: Rn
data:
RADON
S   10
  1  12715.6000000              0.0000470        
  2   1913.3000000              0.0003380        
  3    429.9560000              0.0012800        
  4    100.9780000              0.0027820        
  5     24.4708000             -0.1004210        
  6     15.2922000              0.5398240        
  7      9.5548300             -0.5738560        
  8      5.9666100             -0.6100000        
  9      2.3893900              0.7932530        
 10      1.3188000              0.6515970        
S   10
  1  12715.6000000              0.0000280        
  2   1913.3000000              0.0001950        
  3    429.9560000              0.0007690        
  4    100.9780000              0.0014970        
  5     24.4708000             -0.0495930        
  6     15.2922000              0.2895580        
  7      9.5548300             -0.3680370        
  8      5.9666100             -0.2733570        
  9      2.3893900              0.5778810        
 10      1.3188000              0.6296850        
S   1
  1      0.6257230              1.0000000        
S   1
  1      0.3569110              1.0000000        
S   1
  1      0.1775300              1.0000000        
S   1
  1      0.0834340              1.0000000        
P   7
  1    131.7080000              0.0005850        
  2     21.4016000             -0.0144380        
  3     13.3826000              0.1700950        
  4      8.3688000             -0.4225040        
  5      5.2294500             -0.0017190        
  6      2.4768500              0.6011580        
  7      1.3018000              0.4927800        
P   7
  1    131.7080000             -0.0002340        
  2     21.4016000              0.0043660        
  3     13.3826000             -0.0653500        
  4      8.3688000              0.1823270        
  5      5.2294500             -0.0236720        
  6      2.4768500             -0.2899450        
  7      1.3018000             -0.2800620        
P   1
  1      0.6457100              1.0000000        
P   1
  1      0.3128970              1.0000000        
P   1
  1      0.1428530              1.0000000        
P   1
  1      0.0625560              1.0000000        
D   8
  1    183.7300000              0.0001290        
  2     54.6897000              0.0009490        
  3     16.4255000              0.0101000        
  4      7.3050000             -0.0873090        
  5      4.2747700              0.0714520        
  6      2.6114200              0.2953780        
  7      1.5667400              0.3587310        
  8      0.9609790              0.2561200        
D   1
  1      0.5965350              1.0000000        
D   1
  1      0.3420280              1.0000000        
D   1
  1      0.1516000              1.0000000        
F   1
  1      0.5940000              1.0000000        
F   1
  1      0.2684000              1.0000000        
G   1
  1      0.4763000              1.0000000        


name: cc-pVQZ-PP
description: cc-pVQZ-PP for Hf - Pt
elt: Hf
data:
HAFNIUM
S   13
  1     72.4389000              0.0011630        
  2     45.2162000             -0.0114520        
  3     28.2220000              0.0739620        
  4     17.6385000             -0.3243560        
  5     11.0226000              0.7373860        
  6      6.8849000             -0.4920420        
  7      3.5401300             -0.5503310        
  8      1.9114300              0.0068040        
  9      1.1108400              0.5487620        
 10      0.6210720              0.5890330        
 11      0.3317360              0.2060050        
 12      0.1185800              0.0088010        
 13      0.0548520             -0.0030800        
S   13
  1     72.4389000             -0.0002440        
  2     45.2162000              0.0027980        
  3     28.2220000             -0.0202250        
  4     17.6385000              0.0943500        
  5     11.0226000             -0.2219970        
  6      6.8849000              0.1514670        
  7      3.5401300              0.1831980        
  8      1.9114300             -0.0037340        
  9      1.1108400             -0.2019920        
 10      0.6210720             -0.3343960        
 11      0.3317360             -0.1997340        
 12      0.1185800              0.3916460        
 13      0.0548520              0.6450710        
S   13
  1     72.4389000              0.0012180        
  2     45.2162000             -0.0046350        
  3     28.2220000             -0.0055870        
  4     17.6385000              0.0992940        
  5     11.0226000             -0.2810020        
  6      6.8849000              0.1448310        
  7      3.5401300              0.4847140        
  8      1.9114300             -0.2888910        
  9      1.1108400              0.0737130        
 10      0.6210720             -1.6459660        
 11      0.3317360              0.9783500        
 12      0.1185800              1.9238700        
 13      0.0548520             -1.2965760        
S   13
  1     72.4389000              0.0016570        
  2     45.2162000             -0.0059790        
  3     28.2220000             -0.0118030        
  4     17.6385000              0.1606530        
  5     11.0226000             -0.4541850        
  6      6.8849000              0.2557780        
  7      3.5401300              0.7460350        
  8      1.9114300             -0.2399350        
  9      1.1108400             -0.8580200        
 10      0.6210720             -2.5354000        
 11      0.3317360              4.9533640        
 12      0.1185800             -2.7189210        
 13      0.0548520             -0.3507780        
S   13
  1     72.4389000             -0.0189520        
  2     45.2162000              0.1126140        
  3     28.2220000             -0.3791580        
  4     17.6385000              0.9695960        
  5     11.0226000             -1.8053410        
  6      6.8849000              1.7993640        
  7      3.5401300             -1.2136050        
  8      1.9114300              4.3487530        
  9      1.1108400            -10.5038250        
 10      0.6210720              9.8551680        
 11      0.3317360             -2.5265540        
 12      0.1185800             -3.6117060        
 13      0.0548520              5.3189020        
S   1
  1      0.0251920              1.0000000        
P   10
  1     27.5515000              0.0043130        
  2     17.2296000             -0.0366020        
  3     10.7808000              0.1160700        
  4      4.8379500             -0.2926280        
  5      1.1914000              0.4420380        
  6      0.6007080              0.4780660        
  7      0.3074110              0.2122140        
  8      0.1562270              0.0327530        
  9      0.0760330              0.0048070        
 10      0.0373420             -0.0002130        
P   10
  1     27.5515000             -0.0010340        
  2     17.2296000              0.0094990        
  3     10.7808000             -0.0314490        
  4      4.8379500              0.0827700        
  5      1.1914000             -0.1400300        
  6      0.6007080             -0.1925740        
  7      0.3074110             -0.0865620        
  8      0.1562270              0.2069060        
  9      0.0760330              0.4684290        
 10      0.0373420              0.3988560        
P   10
  1     27.5515000             -0.0014480        
  2     17.2296000              0.0136000        
  3     10.7808000             -0.0454180        
  4      4.8379500              0.1200980        
  5      1.1914000             -0.2032580        
  6      0.6007080             -0.2941450        
  7      0.3074110             -0.1276190        
  8      0.1562270              0.5058440        
  9      0.0760330              0.5783360        
 10      0.0373420              0.1178420        
P   10
  1     27.5515000             -0.0032460        
  2     17.2296000              0.0272840        
  3     10.7808000             -0.0875310        
  4      4.8379500              0.2316860        
  5      1.1914000             -0.4719300        
  6      0.6007080             -0.8206520        
  7      0.3074110              1.1440980        
  8      0.1562270              0.9145160        
  9      0.0760330             -0.9777530        
 10      0.0373420             -0.3066250        
P   10
  1     27.5515000              0.0093880        
  2     17.2296000             -0.0585180        
  3     10.7808000              0.1606140        
  4      4.8379500             -0.4095390        
  5      1.1914000              1.5183920        
  6      0.6007080             -0.4586730        
  7      0.3074110             -2.6576990        
  8      0.1562270              3.0602870        
  9      0.0760330             -0.6219400        
 10      0.0373420             -0.6289150        
P   1
  1      0.0181300              1.0000000        
D   9
  1     47.2322000              0.0000170        
  2     13.1047000             -0.0008770        
  3      7.5050100              0.0155100        
  4      4.5180600             -0.0573800        
  5      1.2669600              0.1453560        
  6      0.6271160              0.2843090        
  7      0.3015600              0.3476220        
  8      0.1411600              0.3054930        
  9      0.0642070              0.1632340        
D   9
  1     47.2322000              0.0000070        
  2     13.1047000              0.0005750        
  3      7.5050100             -0.0165460        
  4      4.5180600              0.0660740        
  5      1.2669600             -0.1879000        
  6      0.6271160             -0.3975450        
  7      0.3015600             -0.2773590        
  8      0.1411600              0.3362230        
  9      0.0642070              0.5471920        
D   9
  1     47.2322000             -0.0000330        
  2     13.1047000             -0.0003780        
  3      7.5050100              0.0220450        
  4      4.5180600             -0.0947120        
  5      1.2669600              0.3497240        
  6      0.6271160              0.6024320        
  7      0.3015600             -0.5248690        
  8      0.1411600             -0.7984990        
  9      0.0642070              0.6042640        
D   9
  1     47.2322000              0.0006970        
  2     13.1047000             -0.0110350        
  3      7.5050100              0.0668960        
  4      4.5180600             -0.1839770        
  5      1.2669600              0.8013200        
  6      0.6271160              0.2430220        
  7      0.3015600             -1.8839990        
  8      0.1411600              1.6425780        
  9      0.0642070             -0.0995440        
D   1
  1      0.0277910              1.0000000        
F   1
  1      0.8141000              1.0000000        
F   1
  1      0.2964000              1.0000000        
F   1
  1      0.1079000              1.0000000        
G   1
  1      0.7047000              1.0000000        
G   1
  1      0.2226000              1.0000000        
H   1
  1      0.4282000              1.0000000        


name: cc-pVQZ-PP
description: cc-pVQZ-PP for Hf - Pt
elt: Pt
data:
PLATINUM
S   13
  1    103.6120000              0.0005410        
  2     64.6859000             -0.0042820        
  3     39.8400000              0.0279230        
  4     24.9011000             -0.1215420        
  5     14.0033000              0.3554330        
  6      7.8909000             -0.1534930        
  7      4.8456000             -0.7258970        
  8      2.3501200              0.0097520        
  9      1.4671700              0.7419290        
 10      0.7806710              0.5463830        
 11      0.3946960              0.1046140        
 12      0.1753230              0.0041520        
 13      0.0788420              0.0020360        
S   13
  1    103.6120000             -0.0001630        
  2     64.6859000              0.0013240        
  3     39.8400000             -0.0091150        
  4     24.9011000              0.0414900        
  5     14.0033000             -0.1272130        
  6      7.8909000              0.0650280        
  7      4.8456000              0.2695050        
  8      2.3501200             -0.0189050        
  9      1.4671700             -0.3462670        
 10      0.7806710             -0.3651790        
 11      0.3946960             -0.0511390        
 12      0.1753230              0.4075980        
 13      0.0788420              0.5982990        
S   13
  1    103.6120000             -0.0000140        
  2     64.6859000              0.0009880        
  3     39.8400000             -0.0135500        
  4     24.9011000              0.0756570        
  5     14.0033000             -0.2479560        
  6      7.8909000              0.1113150        
  7      4.8456000              0.6080690        
  8      2.3501200              0.0444240        
  9      1.4671700             -1.2579130        
 10      0.7806710             -0.8214190        
 11      0.3946960              1.7271730        
 12      0.1753230              0.7946170        
 13      0.0788420             -0.8962850        
S   13
  1    103.6120000             -0.0005030        
  2     64.6859000              0.0014690        
  3     39.8400000              0.0108430        
  4     24.9011000             -0.0940950        
  5     14.0033000              0.3378940        
  6      7.8909000             -0.0650820        
  7      4.8456000             -1.2245280        
  8      2.3501200              0.1173930        
  9      1.4671700              4.0554430        
 10      0.7806710             -3.3801850        
 11      0.3946960             -1.5351860        
 12      0.1753230              2.9459960        
 13      0.0788420             -0.4434390        
S   13
  1    103.6120000             -0.0140470        
  2     64.6859000              0.0725050        
  3     39.8400000             -0.1892580        
  4     24.9011000              0.2492270        
  5     14.0033000             -0.2112040        
  6      7.8909000              1.3748360        
  7      4.8456000             -4.3141010        
  8      2.3501200              6.2274430        
  9      1.4671700              0.2464040        
 10      0.7806710             -8.7140170        
 11      0.3946960              8.0961770        
 12      0.1753230             -2.6016490        
 13      0.0788420             -1.3052060        
S   1
  1      0.0353890              1.0000000        
P   10
  1     37.9380000              0.0022880        
  2     23.7097000             -0.0197140        
  3     14.8236000              0.0680900        
  4      5.7904600             -0.2834570        
  5      1.6955600              0.4743470        
  6      0.8984940              0.4685560        
  7      0.4791880              0.1999420        
  8      0.2565920              0.0374850        
  9      0.1170930              0.0049230        
 10      0.0536550             -0.0002350        
P   10
  1     37.9380000             -0.0003110        
  2     23.7097000              0.0043080        
  3     14.8236000             -0.0177850        
  4      5.7904600              0.0831780        
  5      1.6955600             -0.1697580        
  6      0.8984940             -0.1738130        
  7      0.4791880             -0.0704300        
  8      0.2565920              0.1836310        
  9      0.1170930              0.4407300        
 10      0.0536550              0.4297890        
P   10
  1     37.9380000             -0.0011220        
  2     23.7097000              0.0110810        
  3     14.8236000             -0.0414980        
  4      5.7904600              0.1899730        
  5      1.6955600             -0.4366320        
  6      0.8984940             -0.4092230        
  7      0.4791880              0.1550110        
  8      0.2565920              0.6645690        
  9      0.1170930              0.3881160        
 10      0.0536550              0.0254450        
P   10
  1     37.9380000             -0.0041670        
  2     23.7097000              0.0265230        
  3     14.8236000             -0.0799420        
  4      5.7904600              0.3477530        
  5      1.6955600             -1.1962950        
  6      0.8984940             -0.1291690        
  7      0.4791880              1.6717400        
  8      0.2565920             -0.1548040        
  9      0.1170930             -0.8066650        
 10      0.0536550             -0.1591940        
P   10
  1     37.9380000              0.0103860        
  2     23.7097000             -0.0201920        
  3     14.8236000             -0.0425740        
  4      5.7904600              0.4853910        
  5      1.6955600             -3.0474380        
  6      0.8984940              3.9852690        
  7      0.4791880             -0.7191050        
  8      0.2565920             -1.8265930        
  9      0.1170930              0.9270640        
 10      0.0536550              0.3635220        
P   1
  1      0.0243160              1.0000000        
D   9
  1     64.4513000              0.0000680        
  2     19.3509000             -0.0005040        
  3     12.0833000              0.0083040        
  4      5.9549800             -0.0611390        
  5      1.9173700              0.1964910        
  6      1.0249700              0.3325240        
  7      0.5295130              0.3345920        
  8      0.2633060              0.2408270        
  9      0.1253540              0.1146710        
D   9
  1     64.4513000             -0.0001260        
  2     19.3509000              0.0011530        
  3     12.0833000             -0.0110570        
  4      5.9549800              0.0760890        
  5      1.9173700             -0.2885010        
  6      1.0249700             -0.4787580        
  7      0.5295130             -0.0290100        
  8      0.2633060              0.4365010        
  9      0.1253540              0.4392350        
D   9
  1     64.4513000              0.0004210        
  2     19.3509000             -0.0050290        
  3     12.0833000              0.0243060        
  4      5.9549800             -0.1285460        
  5      1.9173700              0.6635180        
  6      1.0249700              0.3912420        
  7      0.5295130             -0.9712290        
  8      0.2633060             -0.3239450        
  9      0.1253540              0.5670810        
D   9
  1     64.4513000              0.0000130        
  2     19.3509000             -0.0007420        
  3     12.0833000             -0.0189880        
  4      5.9549800              0.1919930        
  5      1.9173700             -1.6656810        
  6      1.0249700              1.4998920        
  7      0.5295130              0.6224520        
  8      0.2633060             -1.3952750        
  9      0.1253540              0.2067550        
D   1
  1      0.0558110              1.0000000        
F   1
  1      1.6660000              1.0000000        
F   1
  1      0.7019000              1.0000000        
F   1
  1      0.2958000              1.0000000        
G   1
  1      1.7070000              1.0000000        
G   1
  1      0.6166000              1.0000000        
H   1
  1      1.1498000              1.0000000        


name: cc-pVQZ-PP
description: N/A
elt: Y
data:
YTTRIUM
S   13
  1   5177.1300000              0.0000060        
  2    803.7880000              0.0000420        
  3    176.8550000              0.0001850        
  4     24.7094000              0.0068560        
  5     15.4311000             -0.0514100        
  6      9.6370600              0.1537220        
  7      3.6556900             -0.3427500        
  8      2.1887900             -0.2814160        
  9      0.9669010              0.4317850        
 10      0.5203350              0.6443500        
 11      0.2687380              0.2560410        
 12      0.0934310              0.0142160        
 13      0.0442780             -0.0008570        
S   13
  1   5177.1300000             -0.0000020        
  2    803.7880000             -0.0000130        
  3    176.8550000             -0.0000630        
  4     24.7094000             -0.0020340        
  5     15.4311000              0.0156890        
  6      9.6370600             -0.0487030        
  7      3.6556900              0.1209540        
  8      2.1887900              0.0857950        
  9      0.9669010             -0.1647410        
 10      0.5203350             -0.3133730        
 11      0.2687380             -0.2505130        
 12      0.0934310              0.3309260        
 13      0.0442780              0.6689400        
S   13
  1   5177.1300000             -0.0000030        
  2    803.7880000             -0.0000340        
  3    176.8550000             -0.0000560        
  4     24.7094000             -0.0065930        
  5     15.4311000              0.0389400        
  6      9.6370600             -0.1029080        
  7      3.6556900              0.2703540        
  8      2.1887900              0.0618350        
  9      0.9669010             -0.1353620        
 10      0.5203350             -1.2866270        
 11      0.2687380              0.5668990        
 12      0.0934310              2.0738270        
 13      0.0442780             -1.1966140        
S   13
  1   5177.1300000             -0.0000040        
  2    803.7880000             -0.0000520        
  3    176.8550000             -0.0000830        
  4     24.7094000             -0.0098760        
  5     15.4311000              0.0577990        
  6      9.6370600             -0.1538970        
  7      3.6556900              0.4217130        
  8      2.1887900              0.1309820        
  9      0.9669010             -0.5555320        
 10      0.5203350             -2.5771630        
 11      0.2687380              4.1711070        
 12      0.0934310             -1.4383750        
 13      0.0442780             -1.6047110        
S   13
  1   5177.1300000             -0.0000120        
  2    803.7880000              0.0000460        
  3    176.8550000             -0.0006750        
  4     24.7094000              0.0212080        
  5     15.4311000             -0.0598710        
  6      9.6370600              0.0151140        
  7      3.6556900             -0.0377770        
  8      2.1887900              1.1622360        
  9      0.9669010             -3.2770720        
 10      0.5203350              1.2701190        
 11      0.2687380              3.1537770        
 12      0.0934310             -6.7129510        
 13      0.0442780              7.3005270        
S   1
  1      0.0205860              1.0000000        
P   10
  1    107.4110000              0.0000910        
  2      7.8253700              0.0412730        
  3      4.8896400             -0.1207510        
  4      2.6346700             -0.0913090        
  5      1.2906400              0.2467110        
  6      0.6865630              0.4542820        
  7      0.3642540              0.3496890        
  8      0.1880790              0.1146010        
  9      0.0906470              0.0109550        
 10      0.0433930              0.0016130        
P   10
  1    107.4110000             -0.0000300        
  2      7.8253700             -0.0128200        
  3      4.8896400              0.0389180        
  4      2.6346700              0.0262170        
  5      1.2906400             -0.0850530        
  6      0.6865630             -0.1644870        
  7      0.3642540             -0.1767940        
  8      0.1880790              0.0390610        
  9      0.0906470              0.4379790        
 10      0.0433930              0.5157770        
P   10
  1    107.4110000             -0.0000650        
  2      7.8253700             -0.0284960        
  3      4.8896400              0.0852470        
  4      2.6346700              0.0687010        
  5      1.2906400             -0.1845780        
  6      0.6865630             -0.6131370        
  7      0.3642540             -0.2279870        
  8      0.1880790              1.3845570        
  9      0.0906470              0.1841280        
 10      0.0433930             -0.8904790        
P   10
  1    107.4110000             -0.0000790        
  2      7.8253700             -0.0378270        
  3      4.8896400              0.1192150        
  4      2.6346700              0.0674820        
  5      1.2906400             -0.2648700        
  6      0.6865630             -1.1887760        
  7      0.3642540              1.3402300        
  8      0.1880790              1.1973990        
  9      0.0906470             -2.3967800        
 10      0.0433930              0.7039560        
P   10
  1    107.4110000             -0.0001660        
  2      7.8253700             -0.0512630        
  3      4.8896400              0.1531410        
  4      2.6346700              0.2656770        
  5      1.2906400             -1.1525810        
  6      0.6865630             -1.1729520        
  7      0.3642540              4.9116730        
  8      0.1880790             -5.0069800        
  9      0.0906470              1.9625810        
 10      0.0433930              0.7231000        
P   1
  1      0.0203400              1.0000000        
D   9
  1     44.4707000              0.0001300        
  2     12.2260000              0.0012450        
  3      5.0145900             -0.0064180        
  4      1.6657600              0.0515240        
  5      0.8894000              0.1608100        
  6      0.4492320              0.2592560        
  7      0.2178540              0.3131190        
  8      0.1023240              0.2970510        
  9      0.0468400              0.1865630        
D   9
  1     44.4707000             -0.0001640        
  2     12.2260000             -0.0014080        
  3      5.0145900              0.0073280        
  4      1.6657600             -0.0672140        
  5      0.8894000             -0.1989690        
  6      0.4492320             -0.3268610        
  7      0.2178540             -0.2274790        
  8      0.1023240              0.2344810        
  9      0.0468400              0.5414920        
D   9
  1     44.4707000              0.0001980        
  2     12.2260000              0.0019390        
  3      5.0145900             -0.0100050        
  4      1.6657600              0.0955710        
  5      0.8894000              0.2915650        
  6      0.4492320              0.4281810        
  7      0.2178540             -0.3428950        
  8      0.1023240             -0.8129610        
  9      0.0468400              0.3614820        
D   9
  1     44.4707000             -0.0003660        
  2     12.2260000             -0.0021570        
  3      5.0145900              0.0129660        
  4      1.6657600             -0.1214120        
  5      0.8894000             -0.6795100        
  6      0.4492320              0.0093200        
  7      0.2178540              1.4118300        
  8      0.1023240             -0.9492730        
  9      0.0468400             -0.5277300        
D   1
  1      0.0205940              1.0000000        
F   1
  1      0.9135000              1.0000000        
F   1
  1      0.2836000              1.0000000        
F   1
  1      0.0880000              1.0000000        
G   1
  1      0.5819000              1.0000000        
G   1
  1      0.1735000              1.0000000        
H   1
  1      0.3395000              1.0000000        


name: cc-pVQZ-PP
description: N/A
elt: Pd
data:
PALLADIUM
S   13
  1   7844.8900000              0.0000150        
  2   1169.5300000              0.0001070        
  3    259.6440000              0.0004120        
  4     39.2211000              0.0098640        
  5     24.4934000             -0.0719220        
  6     15.2969000              0.2128330        
  7      6.0389600             -0.4542200        
  8      3.7622800             -0.2996210        
  9      1.8071000              0.5046120        
 10      0.9743050              0.6622770        
 11      0.4972030              0.2406810        
 12      0.1620200              0.0126460        
 13      0.0714600             -0.0004720        
S   13
  1   7844.8900000             -0.0000050        
  2   1169.5300000             -0.0000330        
  3    259.6440000             -0.0001350        
  4     39.2211000             -0.0027160        
  5     24.4934000              0.0205170        
  6     15.2969000             -0.0636890        
  7      6.0389600              0.1551180        
  8      3.7622800              0.0800520        
  9      1.8071000             -0.1865700        
 10      0.9743050             -0.3054990        
 11      0.4972030             -0.1813090        
 12      0.1620200              0.3039740        
 13      0.0714600              0.6177640        
S   13
  1   7844.8900000             -0.0000100        
  2   1169.5300000             -0.0000840        
  3    259.6440000             -0.0002300        
  4     39.2211000             -0.0090740        
  5     24.4934000              0.0563390        
  6     15.2969000             -0.1563130        
  7      6.0389600              0.3943670        
  8      3.7622800              0.1184910        
  9      1.8071000             -0.3911140        
 10      0.9743050             -1.3967980        
 11      0.4972030              1.1011240        
 12      0.1620200              1.3128540        
 13      0.0714600             -0.6576300        
S   13
  1   7844.8900000              0.0000020        
  2   1169.5300000              0.0000150        
  3    259.6440000              0.0000580        
  4     39.2211000              0.0012900        
  5     24.4934000             -0.0092020        
  6     15.2969000              0.0283700        
  7      6.0389600             -0.0690030        
  8      3.7622800             -0.0717590        
  9      1.8071000              0.2549580        
 10      0.9743050              0.1451930        
 11      0.4972030             -0.4647570        
 12      0.1620200              0.2244370        
 13      0.0714600              0.1291750        
S   13
  1   7844.8900000             -0.0000150        
  2   1169.5300000             -0.0001090        
  3    259.6440000             -0.0004080        
  4     39.2211000             -0.0090780        
  5     24.4934000              0.0648030        
  6     15.2969000             -0.1999130        
  7      6.0389600              0.4866890        
  8      3.7622800              0.5061480        
  9      1.8071000             -1.8058520        
 10      0.9743050             -1.0058890        
 11      0.4972030              3.2670160        
 12      0.1620200             -1.5764190        
 13      0.0714600             -0.9382990        
S   1
  1      0.0313100              1.0000000        
P   10
  1     98.8243000              0.0003180        
  2     27.9859000             -0.0046710        
  3     17.4873000              0.0292410        
  4      6.7863800             -0.1992820        
  5      1.9878800              0.4101390        
  6      1.0657300              0.4471440        
  7      0.5838290              0.2362210        
  8      0.3146360              0.0624690        
  9      0.1357370              0.0060750        
 10      0.0602770             -0.0000850        
P   10
  1     98.8243000             -0.0000510        
  2     27.9859000              0.0006780        
  3     17.4873000             -0.0066790        
  4      6.7863800              0.0544150        
  5      1.9878800             -0.1382020        
  6      1.0657300             -0.1410000        
  7      0.5838290             -0.1010710        
  8      0.3146360              0.1265930        
  9      0.1357370              0.4211200        
 10      0.0602770              0.4722370        
P   10
  1     98.8243000             -0.0001660        
  2     27.9859000              0.0022660        
  3     17.4873000             -0.0161180        
  4      6.7863800              0.1219530        
  5      1.9878800             -0.3403790        
  6      1.0657300             -0.3281810        
  7      0.5838290             -0.0330520        
  8      0.3146360              0.5487950        
  9      0.1357370              0.5332220        
 10      0.0602770              0.0994340        
P   10
  1     98.8243000              0.0004190        
  2     27.9859000             -0.0058840        
  3     17.4873000              0.0317000        
  4      6.7863800             -0.2240400        
  5      1.9878800              0.8656960        
  6      1.0657300              0.3452800        
  7      0.5838290             -0.9931720        
  8      0.3146360             -0.6775520        
  9      0.1357370              0.7731840        
 10      0.0602770              0.3765310        
P   10
  1     98.8243000              0.0000090        
  2     27.9859000             -0.0013240        
  3     17.4873000              0.0372040        
  4      6.7863800             -0.3882460        
  5      1.9878800              2.6384130        
  6      1.0657300             -2.7457290        
  7      0.5838290             -0.6384020        
  8      0.3146360              1.9045610        
  9      0.1357370             -0.1954810        
 10      0.0602770             -0.6798620        
P   1
  1      0.0265400              1.0000000        
D   9
  1     78.3406000              0.0003190        
  2     21.0235000              0.0031690        
  3      7.5187300             -0.0301280        
  4      3.6893300              0.0820580        
  5      2.0193400              0.2405330        
  6      1.0717600              0.3254140        
  7      0.5516620              0.3009480        
  8      0.2739330              0.2050090        
  9      0.1301110              0.0921770        
D   9
  1     78.3406000             -0.0003900        
  2     21.0235000             -0.0033600        
  3      7.5187300              0.0334560        
  4      3.6893300             -0.0998880        
  5      2.0193400             -0.3344540        
  6      1.0717600             -0.3267360        
  7      0.5516620              0.0663700        
  8      0.2739330              0.4205140        
  9      0.1301110              0.4170070        
D   9
  1     78.3406000             -0.0005710        
  2     21.0235000             -0.0049650        
  3      7.5187300              0.0523140        
  4      3.6893300             -0.1757260        
  5      2.0193400             -0.6558300        
  6      1.0717600              0.0297190        
  7      0.5516620              0.8321610        
  8      0.2739330              0.1960240        
  9      0.1301110             -0.5651970        
D   9
  1     78.3406000             -0.0004130        
  2     21.0235000             -0.0116470        
  3      7.5187300              0.1255530        
  4      3.6893300             -0.5684920        
  5      2.0193400             -0.7972550        
  6      1.0717600              1.5702270        
  7      0.5516620              0.0164980        
  8      0.2739330             -1.1631360        
  9      0.1301110              0.3227120        
D   1
  1      0.0574730              1.0000000        
F   1
  1      3.7196000              1.0000000        
F   1
  1      1.2537000              1.0000000        
F   1
  1      0.4226000              1.0000000        
G   1
  1      2.2230000              1.0000000        
G   1
  1      0.7801000              1.0000000        
H   1
  1      1.5307000              1.0000000        


name: cc-pVQZ-PP MP2 Fitting
description: cc-pVQZ-PP/MP2Fit auxiliary basis set
elt: Hf
data:
HAFNIUM
S   1
  1      6.8775200              1.0000000        
S   1
  1      3.9801300              1.0000000        
S   1
  1      2.4979200              1.0000000        
S   1
  1      1.2736300              1.0000000        
S   1
  1      0.6531630              1.0000000        
S   1
  1      0.3723770              1.0000000        
S   1
  1      0.1750080              1.0000000        
S   1
  1      0.0933870              1.0000000        
S   1
  1      0.0685350              1.0000000        
S   1
  1      0.0233790              1.0000000        
S   1
  1      0.0090100              1.0000000        
P   1
  1      6.0479900              1.0000000        
P   1
  1      2.9973000              1.0000000        
P   1
  1      1.7290700              1.0000000        
P   1
  1      0.7850240              1.0000000        
P   1
  1      0.5135350              1.0000000        
P   1
  1      0.3125720              1.0000000        
P   1
  1      0.1595200              1.0000000        
P   1
  1      0.0878700              1.0000000        
P   1
  1      0.0611230              1.0000000        
P   1
  1      0.0347020              1.0000000        
P   1
  1      0.0090210              1.0000000        
D   1
  1      5.7765700              1.0000000        
D   1
  1      3.7070400              1.0000000        
D   1
  1      1.9792500              1.0000000        
D   1
  1      0.8973870              1.0000000        
D   1
  1      0.6051140              1.0000000        
D   1
  1      0.2643160              1.0000000        
D   1
  1      0.1708760              1.0000000        
D   1
  1      0.1004430              1.0000000        
D   1
  1      0.0566170              1.0000000        
D   1
  1      0.0265740              1.0000000        
F   1
  1      3.9358700              1.0000000        
F   1
  1      2.1764600              1.0000000        
F   1
  1      1.0212300              1.0000000        
F   1
  1      0.5428360              1.0000000        
F   1
  1      0.3526950              1.0000000        
F   1
  1      0.1669070              1.0000000        
F   1
  1      0.0876850              1.0000000        
F   1
  1      0.0509720              1.0000000        
G   1
  1      4.3852900              1.0000000        
G   1
  1      2.0265600              1.0000000        
G   1
  1      0.9935900              1.0000000        
G   1
  1      0.5393300              1.0000000        
G   1
  1      0.2861310              1.0000000        
G   1
  1      0.1347220              1.0000000        
G   1
  1      0.0696310              1.0000000        
H   1
  1      2.7504400              1.0000000        
H   1
  1      1.3925100              1.0000000        
H   1
  1      0.6762990              1.0000000        
H   1
  1      0.4263670              1.0000000        
H   1
  1      0.1959610              1.0000000        
I   1
  1      1.3219600              1.0000000        
I   1
  1      0.7699220              1.0000000        
I   1
  1      0.3585180              1.0000000        
K   1
  1      1.1430620              1.0000000        
K   1
  1      0.6052640              1.0000000        


name: cc-pVQZ-PP MP2 Fitting
description: cc-pVQZ-PP/MP2Fit auxiliary basis set
elt: Ta
data:
TANTALUM
S   1
  1      7.1949400              1.0000000        
S   1
  1      4.2082800              1.0000000        
S   1
  1      2.6071500              1.0000000        
S   1
  1      1.4363700              1.0000000        
S   1
  1      0.7964250              1.0000000        
S   1
  1      0.4965330              1.0000000        
S   1
  1      0.2091970              1.0000000        
S   1
  1      0.1175200              1.0000000        
S   1
  1      0.0802690              1.0000000        
S   1
  1      0.0253530              1.0000000        
S   1
  1      0.0095460              1.0000000        
P   1
  1      6.3142100              1.0000000        
P   1
  1      3.1642600              1.0000000        
P   1
  1      1.9569900              1.0000000        
P   1
  1      0.9236010              1.0000000        
P   1
  1      0.6177770              1.0000000        
P   1
  1      0.3739990              1.0000000        
P   1
  1      0.1916990              1.0000000        
P   1
  1      0.0925330              1.0000000        
P   1
  1      0.0675790              1.0000000        
P   1
  1      0.0386070              1.0000000        
P   1
  1      0.0096170              1.0000000        
D   1
  1      6.3795600              1.0000000        
D   1
  1      3.9881600              1.0000000        
D   1
  1      2.0979400              1.0000000        
D   1
  1      1.0075900              1.0000000        
D   1
  1      0.6980900              1.0000000        
D   1
  1      0.3078640              1.0000000        
D   1
  1      0.1810690              1.0000000        
D   1
  1      0.1002460              1.0000000        
D   1
  1      0.0592490              1.0000000        
D   1
  1      0.0304930              1.0000000        
F   1
  1      4.1360500              1.0000000        
F   1
  1      2.4146400              1.0000000        
F   1
  1      1.1598800              1.0000000        
F   1
  1      0.6205620              1.0000000        
F   1
  1      0.3873900              1.0000000        
F   1
  1      0.2108370              1.0000000        
F   1
  1      0.0956960              1.0000000        
F   1
  1      0.0565040              1.0000000        
G   1
  1      4.6942500              1.0000000        
G   1
  1      2.1983200              1.0000000        
G   1
  1      1.1705200              1.0000000        
G   1
  1      0.6064010              1.0000000        
G   1
  1      0.3513420              1.0000000        
G   1
  1      0.1679610              1.0000000        
G   1
  1      0.0851200              1.0000000        
H   1
  1      3.1992800              1.0000000        
H   1
  1      1.6548400              1.0000000        
H   1
  1      0.8239850              1.0000000        
H   1
  1      0.5177610              1.0000000        
H   1
  1      0.2519890              1.0000000        
I   1
  1      1.5619200              1.0000000        
I   1
  1      0.8263030              1.0000000        
I   1
  1      0.4517990              1.0000000        
K   1
  1      1.4281980              1.0000000        
K   1
  1      0.7836140              1.0000000        


name: cc-pVQZ-PP MP2 Fitting
description: cc-pVQZ-PP/MP2Fit auxiliary basis set
elt: W
data:
TUNGSTEN
S   1
  1      7.5864300              1.0000000        
S   1
  1      4.6105900              1.0000000        
S   1
  1      2.9071900              1.0000000        
S   1
  1      1.6385500              1.0000000        
S   1
  1      0.9016030              1.0000000        
S   1
  1      0.6003060              1.0000000        
S   1
  1      0.2797260              1.0000000        
S   1
  1      0.1423020              1.0000000        
S   1
  1      0.0956410              1.0000000        
S   1
  1      0.0317920              1.0000000        
S   1
  1      0.0105980              1.0000000        
P   1
  1      6.6403700              1.0000000        
P   1
  1      3.3548000              1.0000000        
P   1
  1      2.0872000              1.0000000        
P   1
  1      1.0528200              1.0000000        
P   1
  1      0.6844660              1.0000000        
P   1
  1      0.4201670              1.0000000        
P   1
  1      0.2231300              1.0000000        
P   1
  1      0.1116230              1.0000000        
P   1
  1      0.0773760              1.0000000        
P   1
  1      0.0435820              1.0000000        
P   1
  1      0.0106160              1.0000000        
D   1
  1      6.8429800              1.0000000        
D   1
  1      4.2354100              1.0000000        
D   1
  1      2.2735700              1.0000000        
D   1
  1      1.2571300              1.0000000        
D   1
  1      0.7836960              1.0000000        
D   1
  1      0.3850310              1.0000000        
D   1
  1      0.2171000              1.0000000        
D   1
  1      0.1071500              1.0000000        
D   1
  1      0.0679400              1.0000000        
D   1
  1      0.0377320              1.0000000        
F   1
  1      4.3023800              1.0000000        
F   1
  1      2.5904200              1.0000000        
F   1
  1      1.4272000              1.0000000        
F   1
  1      0.7248410              1.0000000        
F   1
  1      0.4953760              1.0000000        
F   1
  1      0.2598460              1.0000000        
F   1
  1      0.1168510              1.0000000        
F   1
  1      0.0741480              1.0000000        
G   1
  1      5.2503600              1.0000000        
G   1
  1      2.4811500              1.0000000        
G   1
  1      1.3775900              1.0000000        
G   1
  1      0.7073170              1.0000000        
G   1
  1      0.4220470              1.0000000        
G   1
  1      0.1977270              1.0000000        
G   1
  1      0.1004480              1.0000000        
H   1
  1      3.4989300              1.0000000        
H   1
  1      1.8995100              1.0000000        
H   1
  1      0.9476970              1.0000000        
H   1
  1      0.6103620              1.0000000        
H   1
  1      0.3043570              1.0000000        
I   1
  1      1.8375800              1.0000000        
I   1
  1      0.9936910              1.0000000        
I   1
  1      0.5480220              1.0000000        
K   1
  1      1.6448150              1.0000000        
K   1
  1      0.9503860              1.0000000        


name: cc-pVQZ-PP MP2 Fitting
description: cc-pVQZ-PP/MP2Fit auxiliary basis set
elt: Re
data:
RHENIUM
S   1
  1      7.9864300              1.0000000        
S   1
  1      4.9998900              1.0000000        
S   1
  1      3.1905000              1.0000000        
S   1
  1      1.9459100              1.0000000        
S   1
  1      1.0535400              1.0000000        
S   1
  1      0.6335660              1.0000000        
S   1
  1      0.4683800              1.0000000        
S   1
  1      0.2194800              1.0000000        
S   1
  1      0.1272630              1.0000000        
S   1
  1      0.0523390              1.0000000        
S   1
  1      0.0146500              1.0000000        
P   1
  1      6.8027800              1.0000000        
P   1
  1      3.3928100              1.0000000        
P   1
  1      2.1717900              1.0000000        
P   1
  1      1.2186000              1.0000000        
P   1
  1      0.7761000              1.0000000        
P   1
  1      0.4788550              1.0000000        
P   1
  1      0.2716480              1.0000000        
P   1
  1      0.1192490              1.0000000        
P   1
  1      0.0774840              1.0000000        
P   1
  1      0.0481890              1.0000000        
P   1
  1      0.0138680              1.0000000        
D   1
  1      7.2542900              1.0000000        
D   1
  1      4.4275100              1.0000000        
D   1
  1      2.4870700              1.0000000        
D   1
  1      1.4661200              1.0000000        
D   1
  1      0.8328430              1.0000000        
D   1
  1      0.4598650              1.0000000        
D   1
  1      0.2651160              1.0000000        
D   1
  1      0.1436060              1.0000000        
D   1
  1      0.0875160              1.0000000        
D   1
  1      0.0452590              1.0000000        
F   1
  1      4.4179400              1.0000000        
F   1
  1      2.7657100              1.0000000        
F   1
  1      1.5146100              1.0000000        
F   1
  1      0.8157490              1.0000000        
F   1
  1      0.5792000              1.0000000        
F   1
  1      0.2917500              1.0000000        
F   1
  1      0.1442820              1.0000000        
F   1
  1      0.0803940              1.0000000        
G   1
  1      5.8591300              1.0000000        
G   1
  1      2.6563300              1.0000000        
G   1
  1      1.5950700              1.0000000        
G   1
  1      0.8979970              1.0000000        
G   1
  1      0.5279690              1.0000000        
G   1
  1      0.2724240              1.0000000        
G   1
  1      0.1360260              1.0000000        
H   1
  1      3.7671100              1.0000000        
H   1
  1      2.1954000              1.0000000        
H   1
  1      1.1882700              1.0000000        
H   1
  1      0.8190010              1.0000000        
H   1
  1      0.3806410              1.0000000        
I   1
  1      2.0690400              1.0000000        
I   1
  1      1.1191800              1.0000000        
I   1
  1      0.6575050              1.0000000        
K   1
  1      1.7963190              1.0000000        
K   1
  1      1.1130330              1.0000000        


name: cc-pVQZ-PP MP2 Fitting
description: cc-pVQZ-PP/MP2Fit auxiliary basis set
elt: Os
data:
OSMIUM
S   1
  1      8.3896800              1.0000000        
S   1
  1      5.4025600              1.0000000        
S   1
  1      3.5929100              1.0000000        
S   1
  1      2.2315800              1.0000000        
S   1
  1      1.2952300              1.0000000        
S   1
  1      0.7485440              1.0000000        
S   1
  1      0.4020240              1.0000000        
S   1
  1      0.2082790              1.0000000        
S   1
  1      0.1061100              1.0000000        
S   1
  1      0.0390220              1.0000000        
S   1
  1      0.0168250              1.0000000        
P   1
  1      7.1792000              1.0000000        
P   1
  1      3.8167500              1.0000000        
P   1
  1      2.2471300              1.0000000        
P   1
  1      1.4752900              1.0000000        
P   1
  1      0.8729920              1.0000000        
P   1
  1      0.5314980              1.0000000        
P   1
  1      0.2853660              1.0000000        
P   1
  1      0.1488640              1.0000000        
P   1
  1      0.0845750              1.0000000        
P   1
  1      0.0536260              1.0000000        
P   1
  1      0.0188640              1.0000000        
D   1
  1      7.7612400              1.0000000        
D   1
  1      4.7724400              1.0000000        
D   1
  1      2.7661100              1.0000000        
D   1
  1      1.7264800              1.0000000        
D   1
  1      0.9965310              1.0000000        
D   1
  1      0.5459160              1.0000000        
D   1
  1      0.3196290              1.0000000        
D   1
  1      0.1560720              1.0000000        
D   1
  1      0.0830250              1.0000000        
D   1
  1      0.0486560              1.0000000        
F   1
  1      4.7334200              1.0000000        
F   1
  1      2.9844600              1.0000000        
F   1
  1      1.7488600              1.0000000        
F   1
  1      0.9270570              1.0000000        
F   1
  1      0.6173000              1.0000000        
F   1
  1      0.3318020              1.0000000        
F   1
  1      0.1538560              1.0000000        
F   1
  1      0.0762720              1.0000000        
G   1
  1      6.3405200              1.0000000        
G   1
  1      2.8641600              1.0000000        
G   1
  1      1.7136100              1.0000000        
G   1
  1      0.9069980              1.0000000        
G   1
  1      0.5602820              1.0000000        
G   1
  1      0.2622780              1.0000000        
G   1
  1      0.1274240              1.0000000        
H   1
  1      4.1405600              1.0000000        
H   1
  1      2.3511800              1.0000000        
H   1
  1      1.2062300              1.0000000        
H   1
  1      0.7878840              1.0000000        
H   1
  1      0.4027190              1.0000000        
I   1
  1      2.3039800              1.0000000        
I   1
  1      1.2977600              1.0000000        
I   1
  1      0.7338260              1.0000000        
K   1
  1      2.0437410              1.0000000        
K   1
  1      1.2537600              1.0000000        


name: cc-pVQZ-PP MP2 Fitting
description: cc-pVQZ-PP/MP2Fit auxiliary basis set
elt: Ir
data:
IRIDIUM
S   1
  1      9.0385700              1.0000000        
S   1
  1      6.1560200              1.0000000        
S   1
  1      4.0423200              1.0000000        
S   1
  1      2.8087400              1.0000000        
S   1
  1      1.4949300              1.0000000        
S   1
  1      0.8031870              1.0000000        
S   1
  1      0.5714630              1.0000000        
S   1
  1      0.2668250              1.0000000        
S   1
  1      0.1399890              1.0000000        
S   1
  1      0.0583900              1.0000000        
S   1
  1      0.0209080              1.0000000        
P   1
  1      7.9568600              1.0000000        
P   1
  1      4.2912100              1.0000000        
P   1
  1      2.6501700              1.0000000        
P   1
  1      1.6787800              1.0000000        
P   1
  1      1.0693800              1.0000000        
P   1
  1      0.6303390              1.0000000        
P   1
  1      0.3404930              1.0000000        
P   1
  1      0.1954130              1.0000000        
P   1
  1      0.0965930              1.0000000        
P   1
  1      0.0641050              1.0000000        
P   1
  1      0.0249370              1.0000000        
D   1
  1      8.8583900              1.0000000        
D   1
  1      5.1456500              1.0000000        
D   1
  1      2.9560300              1.0000000        
D   1
  1      2.0837700              1.0000000        
D   1
  1      1.1522700              1.0000000        
D   1
  1      0.5620780              1.0000000        
D   1
  1      0.4128580              1.0000000        
D   1
  1      0.1903670              1.0000000        
D   1
  1      0.0945180              1.0000000        
D   1
  1      0.0576110              1.0000000        
F   1
  1      4.9801400              1.0000000        
F   1
  1      3.2764200              1.0000000        
F   1
  1      1.8744600              1.0000000        
F   1
  1      1.0733100              1.0000000        
F   1
  1      0.7186170              1.0000000        
F   1
  1      0.3838390              1.0000000        
F   1
  1      0.2044740              1.0000000        
F   1
  1      0.0832820              1.0000000        
G   1
  1      7.1115300              1.0000000        
G   1
  1      3.4650100              1.0000000        
G   1
  1      2.1048300              1.0000000        
G   1
  1      1.3806900              1.0000000        
G   1
  1      0.6849700              1.0000000        
G   1
  1      0.3634010              1.0000000        
G   1
  1      0.1834200              1.0000000        
H   1
  1      4.5642000              1.0000000        
H   1
  1      2.7533000              1.0000000        
H   1
  1      1.5689300              1.0000000        
H   1
  1      1.0409400              1.0000000        
H   1
  1      0.4920260              1.0000000        
I   1
  1      2.5219400              1.0000000        
I   1
  1      1.2460500              1.0000000        
I   1
  1      0.7902210              1.0000000        
K   1
  1      2.3037350              1.0000000        
K   1
  1      1.4295630              1.0000000        


name: cc-pVQZ-PP MP2 Fitting
description: cc-pVQZ-PP/MP2Fit auxiliary basis set
elt: Pt
data:
PLATINUM
S   1
  1      9.8632800              1.0000000        
S   1
  1      6.8635800              1.0000000        
S   1
  1      4.5204000              1.0000000        
S   1
  1      3.1340100              1.0000000        
S   1
  1      1.7038200              1.0000000        
S   1
  1      1.0422700              1.0000000        
S   1
  1      0.5102640              1.0000000        
S   1
  1      0.2646300              1.0000000        
S   1
  1      0.1212020              1.0000000        
S   1
  1      0.0506120              1.0000000        
S   1
  1      0.0287130              1.0000000        
P   1
  1      8.6552300              1.0000000        
P   1
  1      4.9481900              1.0000000        
P   1
  1      3.0792700              1.0000000        
P   1
  1      1.9857200              1.0000000        
P   1
  1      1.3966400              1.0000000        
P   1
  1      0.7426900              1.0000000        
P   1
  1      0.4177550              1.0000000        
P   1
  1      0.2290990              1.0000000        
P   1
  1      0.1098950              1.0000000        
P   1
  1      0.0716780              1.0000000        
P   1
  1      0.0328670              1.0000000        
D   1
  1      9.5754500              1.0000000        
D   1
  1      5.7607700              1.0000000        
D   1
  1      3.3866100              1.0000000        
D   1
  1      2.0954800              1.0000000        
D   1
  1      1.3981800              1.0000000        
D   1
  1      0.7254170              1.0000000        
D   1
  1      0.3810310              1.0000000        
D   1
  1      0.1968410              1.0000000        
D   1
  1      0.1035240              1.0000000        
D   1
  1      0.0660070              1.0000000        
F   1
  1      5.3079500              1.0000000        
F   1
  1      3.4784300              1.0000000        
F   1
  1      2.1758100              1.0000000        
F   1
  1      1.2002400              1.0000000        
F   1
  1      0.7999720              1.0000000        
F   1
  1      0.4261920              1.0000000        
F   1
  1      0.2145130              1.0000000        
F   1
  1      0.1033790              1.0000000        
G   1
  1      8.6607000              1.0000000        
G   1
  1      4.7517400              1.0000000        
G   1
  1      2.6354100              1.0000000        
G   1
  1      1.6635100              1.0000000        
G   1
  1      0.7822730              1.0000000        
G   1
  1      0.3866830              1.0000000        
G   1
  1      0.1893380              1.0000000        
H   1
  1      5.0432200              1.0000000        
H   1
  1      2.9636100              1.0000000        
H   1
  1      1.6746600              1.0000000        
H   1
  1      1.0969600              1.0000000        
H   1
  1      0.5318540              1.0000000        
I   1
  1      2.8252700              1.0000000        
I   1
  1      1.7204700              1.0000000        
I   1
  1      0.9525680              1.0000000        
K   1
  1      2.6113690              1.0000000        
K   1
  1      1.5997670              1.0000000        


name: cc-pVQZ-PP MP2 Fitting
description: MP2 auxiliary basis for use with cc-pVQZ-PP AO basis set
elt: Y
data:
YTTRIUM
S   1
  1     13.8860913              1.0000000        
S   1
  1      8.8708082              1.0000000        
S   1
  1      4.7868560              1.0000000        
S   1
  1      2.7080087              1.0000000        
S   1
  1      1.7230975              1.0000000        
S   1
  1      0.6175293              1.0000000        
S   1
  1      0.4547307              1.0000000        
S   1
  1      0.2920906              1.0000000        
S   1
  1      0.1336359              1.0000000        
S   1
  1      0.0439599              1.0000000        
S   1
  1      0.0295921              1.0000000        
P   1
  1     14.2849623              1.0000000        
P   1
  1      7.1131803              1.0000000        
P   1
  1      4.1165541              1.0000000        
P   1
  1      2.0715961              1.0000000        
P   1
  1      1.2534289              1.0000000        
P   1
  1      0.7505372              1.0000000        
P   1
  1      0.4370145              1.0000000        
P   1
  1      0.2717471              1.0000000        
P   1
  1      0.1185876              1.0000000        
P   1
  1      0.0558515              1.0000000        
P   1
  1      0.0261885              1.0000000        
D   1
  1     14.8568224              1.0000000        
D   1
  1      7.7549153              1.0000000        
D   1
  1      4.6098261              1.0000000        
D   1
  1      2.0845913              1.0000000        
D   1
  1      1.2048306              1.0000000        
D   1
  1      0.7485512              1.0000000        
D   1
  1      0.4300085              1.0000000        
D   1
  1      0.2084073              1.0000000        
D   1
  1      0.1025850              1.0000000        
D   1
  1      0.0559943              1.0000000        
F   1
  1      8.9435402              1.0000000        
F   1
  1      4.9728845              1.0000000        
F   1
  1      2.5647289              1.0000000        
F   1
  1      1.4292377              1.0000000        
F   1
  1      0.8059563              1.0000000        
F   1
  1      0.4483280              1.0000000        
F   1
  1      0.2578764              1.0000000        
F   1
  1      0.1418644              1.0000000        
G   1
  1     15.9784349              1.0000000        
G   1
  1      4.7196975              1.0000000        
G   1
  1      1.6382737              1.0000000        
G   1
  1      0.9724061              1.0000000        
G   1
  1      0.5567233              1.0000000        
G   1
  1      0.2674616              1.0000000        
G   1
  1      0.1820120              1.0000000        
H   1
  1      5.5917526              1.0000000        
H   1
  1      1.4344249              1.0000000        
H   1
  1      0.8902350              1.0000000        
H   1
  1      0.4408187              1.0000000        
H   1
  1      0.1958045              1.0000000        
I   1
  1      1.1786463              1.0000000        
I   1
  1      0.6184778              1.0000000        
I   1
  1      0.3183335              1.0000000        
K   1
  1      7.4550450              1.0000000        
K   1
  1      0.5848477              1.0000000        


name: cc-pVQZ-PP MP2 Fitting
description: MP2 auxiliary basis for use with cc-pVQZ-PP AO basis set
elt: Zr
data:
ZIRCONIUM
S   1
  1     13.9633584              1.0000000        
S   1
  1      8.9621741              1.0000000        
S   1
  1      4.9504449              1.0000000        
S   1
  1      2.9370007              1.0000000        
S   1
  1      1.7300368              1.0000000        
S   1
  1      0.7369330              1.0000000        
S   1
  1      0.5518829              1.0000000        
S   1
  1      0.2125027              1.0000000        
S   1
  1      0.1300732              1.0000000        
S   1
  1      0.0466947              1.0000000        
S   1
  1      0.0192735              1.0000000        
P   1
  1     14.6735941              1.0000000        
P   1
  1      7.5245091              1.0000000        
P   1
  1      4.4279239              1.0000000        
P   1
  1      2.1362053              1.0000000        
P   1
  1      1.0196079              1.0000000        
P   1
  1      0.7572742              1.0000000        
P   1
  1      0.3534686              1.0000000        
P   1
  1      0.2007894              1.0000000        
P   1
  1      0.0817355              1.0000000        
P   1
  1      0.0333967              1.0000000        
P   1
  1      0.0156493              1.0000000        
D   1
  1     14.7674171              1.0000000        
D   1
  1      7.6782121              1.0000000        
D   1
  1      4.5547149              1.0000000        
D   1
  1      2.1834658              1.0000000        
D   1
  1      1.3579196              1.0000000        
D   1
  1      0.8135633              1.0000000        
D   1
  1      0.4831182              1.0000000        
D   1
  1      0.2659630              1.0000000        
D   1
  1      0.1367220              1.0000000        
D   1
  1      0.0383248              1.0000000        
F   1
  1      8.9882287              1.0000000        
F   1
  1      4.9992712              1.0000000        
F   1
  1      2.1338386              1.0000000        
F   1
  1      1.2310988              1.0000000        
F   1
  1      0.7032317              1.0000000        
F   1
  1      0.4375791              1.0000000        
F   1
  1      0.2290535              1.0000000        
F   1
  1      0.1155179              1.0000000        
G   1
  1      7.7706834              1.0000000        
G   1
  1      3.0113244              1.0000000        
G   1
  1      2.2583293              1.0000000        
G   1
  1      1.0484209              1.0000000        
G   1
  1      0.6258682              1.0000000        
G   1
  1      0.3160692              1.0000000        
G   1
  1      0.1606973              1.0000000        
H   1
  1      6.6739910              1.0000000        
H   1
  1      2.0866265              1.0000000        
H   1
  1      1.2682735              1.0000000        
H   1
  1      0.6544966              1.0000000        
H   1
  1      0.2823925              1.0000000        
I   1
  1      1.5721324              1.0000000        
I   1
  1      0.9441409              1.0000000        
I   1
  1      0.4314848              1.0000000        
K   1
  1      1.5079372              1.0000000        
K   1
  1      0.7513930              1.0000000        


name: cc-pVQZ-PP MP2 Fitting
description: MP2 auxiliary basis for use with cc-pVQZ-PP AO basis set
elt: Nb
data:
NIOBIUM
S   1
  1     13.9070044              1.0000000        
S   1
  1      8.9108885              1.0000000        
S   1
  1      4.9384098              1.0000000        
S   1
  1      2.9733683              1.0000000        
S   1
  1      1.8005871              1.0000000        
S   1
  1      1.0716338              1.0000000        
S   1
  1      0.5990864              1.0000000        
S   1
  1      0.3403007              1.0000000        
S   1
  1      0.1504510              1.0000000        
S   1
  1      0.0776421              1.0000000        
S   1
  1      0.0422274              1.0000000        
P   1
  1     14.8440510              1.0000000        
P   1
  1      7.7531707              1.0000000        
P   1
  1      4.6678909              1.0000000        
P   1
  1      3.0826943              1.0000000        
P   1
  1      1.9134491              1.0000000        
P   1
  1      1.1637011              1.0000000        
P   1
  1      0.6336494              1.0000000        
P   1
  1      0.4015616              1.0000000        
P   1
  1      0.1836120              1.0000000        
P   1
  1      0.0904558              1.0000000        
P   1
  1      0.0496090              1.0000000        
D   1
  1     14.7938631              1.0000000        
D   1
  1      7.7302592              1.0000000        
D   1
  1      4.6249183              1.0000000        
D   1
  1      2.1799392              1.0000000        
D   1
  1      1.3257806              1.0000000        
D   1
  1      0.8049437              1.0000000        
D   1
  1      0.3878673              1.0000000        
D   1
  1      0.2202854              1.0000000        
D   1
  1      0.0974099              1.0000000        
D   1
  1      0.0506893              1.0000000        
F   1
  1      8.9439243              1.0000000        
F   1
  1      4.9123280              1.0000000        
F   1
  1      2.3669269              1.0000000        
F   1
  1      1.2906315              1.0000000        
F   1
  1      0.6469814              1.0000000        
F   1
  1      0.3508057              1.0000000        
F   1
  1      0.1949032              1.0000000        
F   1
  1      0.1101851              1.0000000        
G   1
  1      3.9694441              1.0000000        
G   1
  1      2.9082458              1.0000000        
G   1
  1      1.3878435              1.0000000        
G   1
  1      0.8262586              1.0000000        
G   1
  1      0.4024330              1.0000000        
G   1
  1      0.1984736              1.0000000        
G   1
  1      0.0966536              1.0000000        
H   1
  1      3.5725381              1.0000000        
H   1
  1      2.1802119              1.0000000        
H   1
  1      1.2794751              1.0000000        
H   1
  1      0.7670776              1.0000000        
H   1
  1      0.3297542              1.0000000        
I   1
  1      1.8895514              1.0000000        
I   1
  1      1.0983593              1.0000000        
I   1
  1      0.5296491              1.0000000        
K   1
  1      1.6923779              1.0000000        
K   1
  1      0.9380603              1.0000000        


