# all_value

name: cc-pwCVDZ-PP
description: DZP Pseudopotential weighted Core-Valence Triple Zeta + Polarization
elt: At
data:
ASTATINE
S   6
  1      3.040310E+02           1.031000E-03     
  2      2.240850E+01          -1.018690E-01     
  3      1.404900E+01           5.632730E-01     
  4      7.589500E+00          -1.104512E+00     
  5      1.894940E+00           1.026364E+00     
  6      9.523580E-01           3.833240E-01     
S   6
  1      3.040310E+02           4.960000E-04     
  2      2.240850E+01          -3.874300E-02     
  3      1.404900E+01           2.490070E-01     
  4      7.589500E+00          -5.516910E-01     
  5      1.894940E+00           8.155580E-01     
  6      9.523580E-01           2.868020E-01     
S   1
  1      3.170410E-01           1.0000000        
S   1
  1      1.224900E-01           1.0000000        
S   1
  1      9.177000E-01           1.0000000        
P   5
  1      1.200930E+01           1.631810E-01     
  2      8.033000E+00          -4.244130E-01     
  3      2.223930E+00           7.031340E-01     
  4      1.021330E+00           4.641680E-01     
  5      3.012660E-01           3.026000E-02     
P   5
  1      1.200930E+01          -5.836300E-02     
  2      8.033000E+00           1.606310E-01     
  3      2.223930E+00          -3.589420E-01     
  4      1.021330E+00          -1.621230E-01     
  5      3.012660E-01           6.248880E-01     
P   1
  1      9.990300E-02           1.0000000        
P   1
  1      6.854000E-01           1.0000000        
D   5
  1      2.130840E+01           6.141000E-03     
  2      7.020760E+00          -7.066900E-02     
  3      2.768980E+00           3.190200E-01     
  4      1.373140E+00           5.044700E-01     
  5      6.368040E-01           2.924810E-01     
D   1
  1      2.593000E-01           1.0000000        
D   1
  1      7.494000E-01           1.0000000        
F   1
  1      1.267700E+00           1.0000000        


name: cc-pwCVDZ-PP
description: DZP Pseudopotential weighted Core-Valence Triple Zeta + Polarization
elt: Rn
data:
RADON
S   6
  1      3.835850E+02           1.572000E-03     
  2      2.329360E+01          -7.618100E-02     
  3      1.460960E+01           4.785080E-01     
  4      7.731990E+00          -1.043902E+00     
  5      1.994240E+00           1.019071E+00     
  6      1.024070E+00           3.914520E-01     
S   6
  1      3.835850E+02           9.020000E-04     
  2      2.329360E+01          -2.653500E-02     
  3      1.460960E+01           2.148510E-01     
  4      7.731990E+00          -5.453780E-01     
  5      1.994240E+00           8.694020E-01     
  6      1.024070E+00           2.728620E-01     
S   1
  1      3.454220E-01           1.0000000        
S   1
  1      1.350810E-01           1.0000000        
S   1
  1      1.016000E+00           1.0000000        
P   5
  1      1.249920E+01           1.629940E-01     
  2      8.339760E+00          -4.262290E-01     
  3      2.335910E+00           7.107760E-01     
  4      1.090190E+00           4.580860E-01     
  5      3.348980E-01           2.921300E-02     
P   5
  1      1.249920E+01          -6.093400E-02     
  2      8.339760E+00           1.694830E-01     
  3      2.335910E+00          -3.880550E-01     
  4      1.090190E+00          -1.612760E-01     
  5      3.348980E-01           6.446740E-01     
P   1
  1      1.125460E-01           1.0000000        
P   1
  1      7.528000E-01           1.0000000        
D   5
  1      2.417050E+01           5.878000E-03     
  2      6.945990E+00          -7.652000E-02     
  3      3.038090E+00           3.071660E-01     
  4      1.516840E+00           5.141680E-01     
  5      7.091570E-01           2.972850E-01     
D   1
  1      2.888000E-01           1.0000000        
D   1
  1      8.272000E-01           1.0000000        
F   1
  1      1.395700E+00           1.0000000        


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


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


name: cc-pwCVDZ-PP MP2 Fitting
description: cc-pwCVDZ-PP/MP2Fit auxiliary basis set
elt: Y
data:
YTTRIUM
S   1
  1      7.0381800              1.0000000        
S   1
  1      5.2356600              1.0000000        
S   1
  1      3.2213700              1.0000000        
S   1
  1      1.5645600              1.0000000        
S   1
  1      0.7134950              1.0000000        
S   1
  1      0.4573840              1.0000000        
S   1
  1      0.2838410              1.0000000        
S   1
  1      0.1191150              1.0000000        
S   1
  1      0.0597870              1.0000000        
P   1
  1      5.7487700              1.0000000        
P   1
  1      3.3374100              1.0000000        
P   1
  1      2.3186900              1.0000000        
P   1
  1      1.0462000              1.0000000        
P   1
  1      0.7695940              1.0000000        
P   1
  1      0.3986180              1.0000000        
P   1
  1      0.2562210              1.0000000        
P   1
  1      0.1338310              1.0000000        
P   1
  1      0.0616740              1.0000000        
D   1
  1      5.9044000              1.0000000        
D   1
  1      4.7897700              1.0000000        
D   1
  1      1.6885600              1.0000000        
D   1
  1      1.1489100              1.0000000        
D   1
  1      0.5669070              1.0000000        
D   1
  1      0.3151340              1.0000000        
D   1
  1      0.1370640              1.0000000        
D   1
  1      0.0658870              1.0000000        
F   1
  1      6.1885200              1.0000000        
F   1
  1      3.2859600              1.0000000        
F   1
  1      1.6685700              1.0000000        
F   1
  1      0.9043300              1.0000000        
F   1
  1      0.5148060              1.0000000        
F   1
  1      0.2628570              1.0000000        
F   1
  1      0.1329460              1.0000000        
F   1
  1      0.0809100              1.0000000        
G   1
  1      3.9222800              1.0000000        
G   1
  1      2.2883900              1.0000000        
G   1
  1      1.3450300              1.0000000        
G   1
  1      0.5716740              1.0000000        
G   1
  1      0.2236760              1.0000000        
G   1
  1      0.1033320              1.0000000        
H   1
  1      1.9504700              1.0000000        
H   1
  1      1.1835200              1.0000000        
H   1
  1      0.3738270              1.0000000        


name: cc-pwCVDZ-PP MP2 Fitting
description: cc-pwCVDZ-PP/MP2Fit auxiliary basis set
elt: Zr
data:
ZIRCONIUM
S   1
  1      7.5560500              1.0000000        
S   1
  1      5.7954400              1.0000000        
S   1
  1      3.6790200              1.0000000        
S   1
  1      1.8585300              1.0000000        
S   1
  1      0.8131350              1.0000000        
S   1
  1      0.6415330              1.0000000        
S   1
  1      0.3748690              1.0000000        
S   1
  1      0.1460590              1.0000000        
S   1
  1      0.0637880              1.0000000        
P   1
  1      6.3161900              1.0000000        
P   1
  1      3.7175500              1.0000000        
P   1
  1      2.9330700              1.0000000        
P   1
  1      1.2743400              1.0000000        
P   1
  1      0.9386850              1.0000000        
P   1
  1      0.4781590              1.0000000        
P   1
  1      0.2996530              1.0000000        
P   1
  1      0.1351100              1.0000000        
P   1
  1      0.0651670              1.0000000        
D   1
  1      6.0441100              1.0000000        
D   1
  1      4.3929300              1.0000000        
D   1
  1      2.1365500              1.0000000        
D   1
  1      1.3369100              1.0000000        
D   1
  1      0.6929450              1.0000000        
D   1
  1      0.3988000              1.0000000        
D   1
  1      0.1714350              1.0000000        
D   1
  1      0.0813540              1.0000000        
F   1
  1      7.3643800              1.0000000        
F   1
  1      4.2887300              1.0000000        
F   1
  1      2.0091600              1.0000000        
F   1
  1      1.1515700              1.0000000        
F   1
  1      0.7014270              1.0000000        
F   1
  1      0.3819820              1.0000000        
F   1
  1      0.1881670              1.0000000        
F   1
  1      0.0915620              1.0000000        
G   1
  1      4.4951600              1.0000000        
G   1
  1      2.5201900              1.0000000        
G   1
  1      1.6128200              1.0000000        
G   1
  1      0.7611010              1.0000000        
G   1
  1      0.2977260              1.0000000        
G   1
  1      0.1242230              1.0000000        
H   1
  1      2.1594100              1.0000000        
H   1
  1      1.4220100              1.0000000        
H   1
  1      0.5723240              1.0000000        


name: cc-pwCVDZ-PP MP2 Fitting
description: cc-pwCVDZ-PP/MP2Fit auxiliary basis set
elt: Nb
data:
NIOBIUM
S   1
  1      8.6138600              1.0000000        
S   1
  1      6.5743400              1.0000000        
S   1
  1      4.0120700              1.0000000        
S   1
  1      1.9054500              1.0000000        
S   1
  1      1.0245000              1.0000000        
S   1
  1      0.6549330              1.0000000        
S   1
  1      0.3921990              1.0000000        
S   1
  1      0.1643810              1.0000000        
S   1
  1      0.0731180              1.0000000        
P   1
  1      6.6002900              1.0000000        
P   1
  1      4.0965000              1.0000000        
P   1
  1      3.0549400              1.0000000        
P   1
  1      1.6652200              1.0000000        
P   1
  1      0.9401540              1.0000000        
P   1
  1      0.5257510              1.0000000        
P   1
  1      0.3376380              1.0000000        
P   1
  1      0.1555990              1.0000000        
P   1
  1      0.0726230              1.0000000        
D   1
  1      6.8138300              1.0000000        
D   1
  1      4.8927300              1.0000000        
D   1
  1      2.3291700              1.0000000        
D   1
  1      1.6950800              1.0000000        
D   1
  1      0.7936390              1.0000000        
D   1
  1      0.5304970              1.0000000        
D   1
  1      0.2237880              1.0000000        
D   1
  1      0.0950370              1.0000000        
F   1
  1      7.7718800              1.0000000        
F   1
  1      4.9248800              1.0000000        
F   1
  1      2.3115800              1.0000000        
F   1
  1      1.2383800              1.0000000        
F   1
  1      0.7163760              1.0000000        
F   1
  1      0.4077800              1.0000000        
F   1
  1      0.2070350              1.0000000        
F   1
  1      0.0948430              1.0000000        
G   1
  1      5.4275900              1.0000000        
G   1
  1      2.4966300              1.0000000        
G   1
  1      1.2105000              1.0000000        
G   1
  1      0.7939930              1.0000000        
G   1
  1      0.3101730              1.0000000        
G   1
  1      0.1298150              1.0000000        
H   1
  1      2.5274700              1.0000000        
H   1
  1      1.3788000              1.0000000        
H   1
  1      0.7150310              1.0000000        


name: cc-pwCVDZ-PP MP2 Fitting
description: cc-pwCVDZ-PP/MP2Fit auxiliary basis set
elt: Mo
data:
MOLYBDENUM
S   1
  1      9.2109700              1.0000000        
S   1
  1      7.4538300              1.0000000        
S   1
  1      4.1194100              1.0000000        
S   1
  1      1.9594900              1.0000000        
S   1
  1      1.2312900              1.0000000        
S   1
  1      0.6554600              1.0000000        
S   1
  1      0.3513460              1.0000000        
S   1
  1      0.1698050              1.0000000        
S   1
  1      0.0752380              1.0000000        
P   1
  1      7.1178800              1.0000000        
P   1
  1      4.3861000              1.0000000        
P   1
  1      3.2221400              1.0000000        
P   1
  1      1.7672600              1.0000000        
P   1
  1      1.0248900              1.0000000        
P   1
  1      0.5853430              1.0000000        
P   1
  1      0.3689710              1.0000000        
P   1
  1      0.1789030              1.0000000        
P   1
  1      0.0816970              1.0000000        
D   1
  1      7.9194700              1.0000000        
D   1
  1      5.1365800              1.0000000        
D   1
  1      2.5706200              1.0000000        
D   1
  1      1.6996900              1.0000000        
D   1
  1      0.9193660              1.0000000        
D   1
  1      0.5352510              1.0000000        
D   1
  1      0.2404800              1.0000000        
D   1
  1      0.1105720              1.0000000        
F   1
  1      8.4610900              1.0000000        
F   1
  1      5.5103400              1.0000000        
F   1
  1      2.6564400              1.0000000        
F   1
  1      1.3871100              1.0000000        
F   1
  1      0.8455390              1.0000000        
F   1
  1      0.4885210              1.0000000        
F   1
  1      0.2416060              1.0000000        
F   1
  1      0.1090490              1.0000000        
G   1
  1      7.6258300              1.0000000        
G   1
  1      2.8925400              1.0000000        
G   1
  1      1.6085200              1.0000000        
G   1
  1      1.0276700              1.0000000        
G   1
  1      0.3921210              1.0000000        
G   1
  1      0.1706480              1.0000000        
H   1
  1      3.0562200              1.0000000        
H   1
  1      1.7004700              1.0000000        
H   1
  1      0.9210930              1.0000000        


name: cc-pwCVDZ-PP MP2 Fitting
description: cc-pwCVDZ-PP/MP2Fit auxiliary basis set
elt: Tc
data:
TECHNETIUM
S   1
  1      9.8017100              1.0000000        
S   1
  1      7.0380900              1.0000000        
S   1
  1      4.8585000              1.0000000        
S   1
  1      2.3925500              1.0000000        
S   1
  1      1.4763600              1.0000000        
S   1
  1      0.6892540              1.0000000        
S   1
  1      0.3460280              1.0000000        
S   1
  1      0.1617170              1.0000000        
S   1
  1      0.0811610              1.0000000        
P   1
  1      8.1883500              1.0000000        
P   1
  1      5.8214600              1.0000000        
P   1
  1      3.5185200              1.0000000        
P   1
  1      2.3982400              1.0000000        
P   1
  1      1.1487800              1.0000000        
P   1
  1      0.7862580              1.0000000        
P   1
  1      0.4164420              1.0000000        
P   1
  1      0.1987770              1.0000000        
P   1
  1      0.0893810              1.0000000        
D   1
  1      9.5152700              1.0000000        
D   1
  1      4.8684700              1.0000000        
D   1
  1      2.9544000              1.0000000        
D   1
  1      1.5394300              1.0000000        
D   1
  1      1.0130500              1.0000000        
D   1
  1      0.5445190              1.0000000        
D   1
  1      0.2661070              1.0000000        
D   1
  1      0.1206720              1.0000000        
F   1
  1     10.1499000              1.0000000        
F   1
  1      6.3208800              1.0000000        
F   1
  1      3.0276300              1.0000000        
F   1
  1      1.7767000              1.0000000        
F   1
  1      1.1500000              1.0000000        
F   1
  1      0.6187310              1.0000000        
F   1
  1      0.2800520              1.0000000        
F   1
  1      0.1240550              1.0000000        
G   1
  1      9.6594200              1.0000000        
G   1
  1      3.3098700              1.0000000        
G   1
  1      1.7562600              1.0000000        
G   1
  1      1.1192600              1.0000000        
G   1
  1      0.4526920              1.0000000        
G   1
  1      0.1884170              1.0000000        
H   1
  1      3.5609500              1.0000000        
H   1
  1      2.1346800              1.0000000        
H   1
  1      1.1149900              1.0000000        


name: cc-pwCVDZ-PP MP2 Fitting
description: cc-pwCVDZ-PP/MP2Fit auxiliary basis set
elt: Ru
data:
RUTHENIUM
S   1
  1     10.1988000              1.0000000        
S   1
  1      7.3366400              1.0000000        
S   1
  1      5.2211100              1.0000000        
S   1
  1      2.6180200              1.0000000        
S   1
  1      1.5882100              1.0000000        
S   1
  1      0.8445510              1.0000000        
S   1
  1      0.3479480              1.0000000        
S   1
  1      0.1690030              1.0000000        
S   1
  1      0.0876470              1.0000000        
P   1
  1      8.6218900              1.0000000        
P   1
  1      6.0274400              1.0000000        
P   1
  1      3.7039500              1.0000000        
P   1
  1      2.6253500              1.0000000        
P   1
  1      1.2071300              1.0000000        
P   1
  1      0.8518970              1.0000000        
P   1
  1      0.4376850              1.0000000        
P   1
  1      0.2191380              1.0000000        
P   1
  1      0.0990030              1.0000000        
D   1
  1     10.5685000              1.0000000        
D   1
  1      5.4218500              1.0000000        
D   1
  1      3.3641400              1.0000000        
D   1
  1      1.6737400              1.0000000        
D   1
  1      1.1529900              1.0000000        
D   1
  1      0.5666630              1.0000000        
D   1
  1      0.2947070              1.0000000        
D   1
  1      0.1323570              1.0000000        
F   1
  1     10.6872000              1.0000000        
F   1
  1      6.7258900              1.0000000        
F   1
  1      3.4059800              1.0000000        
F   1
  1      1.8822900              1.0000000        
F   1
  1      1.2370000              1.0000000        
F   1
  1      0.6582130              1.0000000        
F   1
  1      0.2986650              1.0000000        
F   1
  1      0.1324120              1.0000000        
G   1
  1     10.3255000              1.0000000        
G   1
  1      3.7247900              1.0000000        
G   1
  1      1.9775600              1.0000000        
G   1
  1      1.2486000              1.0000000        
G   1
  1      0.5252570              1.0000000        
G   1
  1      0.2148120              1.0000000        
H   1
  1      4.0562300              1.0000000        
H   1
  1      2.3625200              1.0000000        
H   1
  1      1.2850400              1.0000000        


name: cc-pwCVDZ-PP MP2 Fitting
description: cc-pwCVDZ-PP/MP2Fit auxiliary basis set
elt: Rh
data:
RHODIUM
S   1
  1     10.8856000              1.0000000        
S   1
  1      7.5846000              1.0000000        
S   1
  1      5.4091600              1.0000000        
S   1
  1      2.8172600              1.0000000        
S   1
  1      1.7624500              1.0000000        
S   1
  1      0.9712070              1.0000000        
S   1
  1      0.5020170              1.0000000        
S   1
  1      0.1735170              1.0000000        
S   1
  1      0.0954340              1.0000000        
P   1
  1      9.1411900              1.0000000        
P   1
  1      6.3599500              1.0000000        
P   1
  1      3.8484200              1.0000000        
P   1
  1      3.0261500              1.0000000        
P   1
  1      1.2115300              1.0000000        
P   1
  1      0.8892560              1.0000000        
P   1
  1      0.4787960              1.0000000        
P   1
  1      0.2403520              1.0000000        
P   1
  1      0.1280660              1.0000000        
D   1
  1     11.7233000              1.0000000        
D   1
  1      5.9507500              1.0000000        
D   1
  1      3.7724800              1.0000000        
D   1
  1      1.8315500              1.0000000        
D   1
  1      1.2710900              1.0000000        
D   1
  1      0.6325910              1.0000000        
D   1
  1      0.3729550              1.0000000        
D   1
  1      0.1811200              1.0000000        
F   1
  1     11.4743000              1.0000000        
F   1
  1      7.0705600              1.0000000        
F   1
  1      3.9400800              1.0000000        
F   1
  1      2.0309700              1.0000000        
F   1
  1      1.3583400              1.0000000        
F   1
  1      0.7061180              1.0000000        
F   1
  1      0.3390740              1.0000000        
F   1
  1      0.1504350              1.0000000        
G   1
  1     10.9626000              1.0000000        
G   1
  1      4.1763200              1.0000000        
G   1
  1      2.3473500              1.0000000        
G   1
  1      1.4370400              1.0000000        
G   1
  1      0.7338630              1.0000000        
G   1
  1      0.2961630              1.0000000        
H   1
  1      4.6121100              1.0000000        
H   1
  1      2.7294700              1.0000000        
H   1
  1      1.4967600              1.0000000        


name: cc-pwCVDZ-PP MP2 Fitting
description: cc-pwCVDZ-PP/MP2Fit auxiliary basis set
elt: Pd
data:
PALLADIUM
S   1
  1     11.4019000              1.0000000        
S   1
  1      8.0128400              1.0000000        
S   1
  1      6.2885500              1.0000000        
S   1
  1      4.2066700              1.0000000        
S   1
  1      2.2603200              1.0000000        
S   1
  1      1.0821500              1.0000000        
S   1
  1      0.7733130              1.0000000        
S   1
  1      0.4137930              1.0000000        
S   1
  1      0.1868410              1.0000000        
P   1
  1     11.0159000              1.0000000        
P   1
  1      7.5637800              1.0000000        
P   1
  1      4.5762500              1.0000000        
P   1
  1      3.6886100              1.0000000        
P   1
  1      1.3356100              1.0000000        
P   1
  1      1.0136900              1.0000000        
P   1
  1      0.4427660              1.0000000        
P   1
  1      0.2423360              1.0000000        
P   1
  1      0.1318280              1.0000000        
D   1
  1     12.6047000              1.0000000        
D   1
  1      6.1985800              1.0000000        
D   1
  1      4.1986500              1.0000000        
D   1
  1      2.0919000              1.0000000        
D   1
  1      1.3469200              1.0000000        
D   1
  1      0.6729460              1.0000000        
D   1
  1      0.3249700              1.0000000        
D   1
  1      0.1847750              1.0000000        
F   1
  1     12.8134000              1.0000000        
F   1
  1      7.5280100              1.0000000        
F   1
  1      4.3816600              1.0000000        
F   1
  1      2.1640400              1.0000000        
F   1
  1      1.4731800              1.0000000        
F   1
  1      0.7322050              1.0000000        
F   1
  1      0.3423330              1.0000000        
F   1
  1      0.1717110              1.0000000        
G   1
  1     11.5056000              1.0000000        
G   1
  1      4.5240300              1.0000000        
G   1
  1      2.7654900              1.0000000        
G   1
  1      1.5938800              1.0000000        
G   1
  1      0.7848640              1.0000000        
G   1
  1      0.3109640              1.0000000        
H   1
  1      5.1504300              1.0000000        
H   1
  1      3.0764500              1.0000000        
H   1
  1      1.6903900              1.0000000        


name: cc-pwCVDZ-PP MP2 Fitting
description: cc-pwCVDZ-PP/MP2Fit auxiliary basis set
elt: Hf
data:
HAFNIUM
S   1
  1      4.8708500              1.0000000        
S   1
  1      4.2753200              1.0000000        
S   1
  1      3.4805000              1.0000000        
S   1
  1      2.1442700              1.0000000        
S   1
  1      0.6813140              1.0000000        
S   1
  1      0.5494320              1.0000000        
S   1
  1      0.1407260              1.0000000        
S   1
  1      0.0833150              1.0000000        
S   1
  1      0.0338190              1.0000000        
P   1
  1      4.8576600              1.0000000        
P   1
  1      3.9908500              1.0000000        
P   1
  1      2.7467700              1.0000000        
P   1
  1      1.3627800              1.0000000        
P   1
  1      0.6453440              1.0000000        
P   1
  1      0.3799110              1.0000000        
P   1
  1      0.1830690              1.0000000        
P   1
  1      0.0729710              1.0000000        
P   1
  1      0.0245530              1.0000000        
D   1
  1      5.3413100              1.0000000        
D   1
  1      3.9844700              1.0000000        
D   1
  1      2.1622200              1.0000000        
D   1
  1      1.1278700              1.0000000        
D   1
  1      0.5678460              1.0000000        
D   1
  1      0.2329260              1.0000000        
D   1
  1      0.0956260              1.0000000        
F   1
  1      4.2014100              1.0000000        
F   1
  1      3.1426300              1.0000000        
F   1
  1      1.5674300              1.0000000        
F   1
  1      0.8615370              1.0000000        
F   1
  1      0.4296700              1.0000000        
F   1
  1      0.2185290              1.0000000        
F   1
  1      0.0931340              1.0000000        
G   1
  1      4.8743400              1.0000000        
G   1
  1      2.4058600              1.0000000        
G   1
  1      1.4255200              1.0000000        
G   1
  1      0.6744120              1.0000000        
G   1
  1      0.2886480              1.0000000        
G   1
  1      0.1180780              1.0000000        
H   1
  1      1.5092400              1.0000000        
H   1
  1      0.8814330              1.0000000        
H   1
  1      0.4155770              1.0000000        


name: cc-pwCVDZ-PP MP2 Fitting
description: cc-pwCVDZ-PP/MP2Fit auxiliary basis set
elt: Ta
data:
TANTALUM
S   1
  1      5.1400300              1.0000000        
S   1
  1      4.2649100              1.0000000        
S   1
  1      3.0676200              1.0000000        
S   1
  1      2.3273700              1.0000000        
S   1
  1      0.8762710              1.0000000        
S   1
  1      0.5653240              1.0000000        
S   1
  1      0.2080900              1.0000000        
S   1
  1      0.1342210              1.0000000        
S   1
  1      0.0802250              1.0000000        
P   1
  1      5.3315400              1.0000000        
P   1
  1      4.0349000              1.0000000        
P   1
  1      3.4714000              1.0000000        
P   1
  1      1.3484200              1.0000000        
P   1
  1      0.7116730              1.0000000        
P   1
  1      0.5369840              1.0000000        
P   1
  1      0.2057250              1.0000000        
P   1
  1      0.0904280              1.0000000        
P   1
  1      0.0370770              1.0000000        
D   1
  1      5.5710600              1.0000000        
D   1
  1      4.4321800              1.0000000        
D   1
  1      1.9449100              1.0000000        
D   1
  1      1.2313200              1.0000000        
D   1
  1      0.6138900              1.0000000        
D   1
  1      0.2675920              1.0000000        
D   1
  1      0.1178900              1.0000000        
F   1
  1      4.3697100              1.0000000        
F   1
  1      3.2295100              1.0000000        
F   1
  1      1.8874200              1.0000000        
F   1
  1      0.9896850              1.0000000        
F   1
  1      0.5427460              1.0000000        
F   1
  1      0.2785760              1.0000000        
F   1
  1      0.1136540              1.0000000        
G   1
  1      4.7616800              1.0000000        
G   1
  1      2.0838500              1.0000000        
G   1
  1      1.2152200              1.0000000        
G   1
  1      0.7042390              1.0000000        
G   1
  1      0.3477340              1.0000000        
G   1
  1      0.1466270              1.0000000        
H   1
  1      1.8182200              1.0000000        
H   1
  1      1.1460900              1.0000000        
H   1
  1      0.5755710              1.0000000        


name: cc-pwCVDZ-PP MP2 Fitting
description: cc-pwCVDZ-PP/MP2Fit auxiliary basis set
elt: W
data:
TUNGSTEN
S   1
  1      5.3503200              1.0000000        
S   1
  1      4.6979000              1.0000000        
S   1
  1      3.6072500              1.0000000        
S   1
  1      2.0873900              1.0000000        
S   1
  1      0.8448070              1.0000000        
S   1
  1      0.6022220              1.0000000        
S   1
  1      0.2082320              1.0000000        
S   1
  1      0.1312890              1.0000000        
S   1
  1      0.0570350              1.0000000        
P   1
  1      5.6966300              1.0000000        
P   1
  1      4.4575000              1.0000000        
P   1
  1      3.3922000              1.0000000        
P   1
  1      1.5577900              1.0000000        
P   1
  1      0.7972670              1.0000000        
P   1
  1      0.6078170              1.0000000        
P   1
  1      0.2218210              1.0000000        
P   1
  1      0.1007270              1.0000000        
P   1
  1      0.0424150              1.0000000        
D   1
  1      5.6561500              1.0000000        
D   1
  1      4.3090200              1.0000000        
D   1
  1      2.5475900              1.0000000        
D   1
  1      1.2133700              1.0000000        
D   1
  1      0.7760020              1.0000000        
D   1
  1      0.2957710              1.0000000        
D   1
  1      0.1350320              1.0000000        
F   1
  1      4.7841500              1.0000000        
F   1
  1      4.0929100              1.0000000        
F   1
  1      2.1967100              1.0000000        
F   1
  1      1.0575600              1.0000000        
F   1
  1      0.6576810              1.0000000        
F   1
  1      0.3039880              1.0000000        
F   1
  1      0.1250800              1.0000000        
G   1
  1      5.0799600              1.0000000        
G   1
  1      2.4844200              1.0000000        
G   1
  1      1.4916800              1.0000000        
G   1
  1      0.8647820              1.0000000        
G   1
  1      0.3982140              1.0000000        
G   1
  1      0.1705740              1.0000000        
H   1
  1      2.0933100              1.0000000        
H   1
  1      1.2821400              1.0000000        
H   1
  1      0.7104880              1.0000000        


name: cc-pwCVDZ-PP MP2 Fitting
description: cc-pwCVDZ-PP/MP2Fit auxiliary basis set
elt: Re
data:
RHENIUM
S   1
  1      5.5342800              1.0000000        
S   1
  1      4.5795700              1.0000000        
S   1
  1      3.0294100              1.0000000        
S   1
  1      1.7418800              1.0000000        
S   1
  1      0.5904580              1.0000000        
S   1
  1      0.3718830              1.0000000        
S   1
  1      0.2078590              1.0000000        
S   1
  1      0.1153130              1.0000000        
S   1
  1      0.0576600              1.0000000        
P   1
  1      6.6357300              1.0000000        
P   1
  1      5.0047200              1.0000000        
P   1
  1      3.4461900              1.0000000        
P   1
  1      1.7281700              1.0000000        
P   1
  1      0.8871510              1.0000000        
P   1
  1      0.5291290              1.0000000        
P   1
  1      0.2620130              1.0000000        
P   1
  1      0.1903300              1.0000000        
P   1
  1      0.0862070              1.0000000        
D   1
  1      5.2974700              1.0000000        
D   1
  1      3.8378200              1.0000000        
D   1
  1      2.3197500              1.0000000        
D   1
  1      0.9862780              1.0000000        
D   1
  1      0.6575510              1.0000000        
D   1
  1      0.3065410              1.0000000        
D   1
  1      0.1343270              1.0000000        
F   1
  1      5.0300900              1.0000000        
F   1
  1      4.0672800              1.0000000        
F   1
  1      2.3478100              1.0000000        
F   1
  1      1.1994900              1.0000000        
F   1
  1      0.6637870              1.0000000        
F   1
  1      0.3162920              1.0000000        
F   1
  1      0.1407920              1.0000000        
G   1
  1      5.4015500              1.0000000        
G   1
  1      2.6049800              1.0000000        
G   1
  1      1.7224500              1.0000000        
G   1
  1      1.0405700              1.0000000        
G   1
  1      0.5225620              1.0000000        
G   1
  1      0.2343620              1.0000000        
H   1
  1      2.2767500              1.0000000        
H   1
  1      1.6047900              1.0000000        
H   1
  1      0.8918020              1.0000000        


name: cc-pwCVDZ-PP MP2 Fitting
description: cc-pwCVDZ-PP/MP2Fit auxiliary basis set
elt: Os
data:
OSMIUM
S   1
  1      5.6066600              1.0000000        
S   1
  1      4.6966000              1.0000000        
S   1
  1      3.9995800              1.0000000        
S   1
  1      1.9370300              1.0000000        
S   1
  1      0.9201340              1.0000000        
S   1
  1      0.6217090              1.0000000        
S   1
  1      0.2825950              1.0000000        
S   1
  1      0.1808090              1.0000000        
S   1
  1      0.0882770              1.0000000        
P   1
  1      7.1809400              1.0000000        
P   1
  1      5.3474300              1.0000000        
P   1
  1      3.5629200              1.0000000        
P   1
  1      1.9381900              1.0000000        
P   1
  1      0.9972590              1.0000000        
P   1
  1      0.6500600              1.0000000        
P   1
  1      0.2863030              1.0000000        
P   1
  1      0.1870390              1.0000000        
P   1
  1      0.0827120              1.0000000        
D   1
  1      5.5801400              1.0000000        
D   1
  1      4.7362200              1.0000000        
D   1
  1      2.7572800              1.0000000        
D   1
  1      1.4310700              1.0000000        
D   1
  1      0.8515180              1.0000000        
D   1
  1      0.3611310              1.0000000        
D   1
  1      0.1611750              1.0000000        
F   1
  1      5.3570500              1.0000000        
F   1
  1      4.1263800              1.0000000        
F   1
  1      2.4294000              1.0000000        
F   1
  1      1.1941800              1.0000000        
F   1
  1      0.7010430              1.0000000        
F   1
  1      0.2858340              1.0000000        
F   1
  1      0.1373510              1.0000000        
G   1
  1      5.6683900              1.0000000        
G   1
  1      2.8958200              1.0000000        
G   1
  1      1.8640100              1.0000000        
G   1
  1      1.0443800              1.0000000        
G   1
  1      0.4924140              1.0000000        
G   1
  1      0.2111500              1.0000000        
H   1
  1      2.6067700              1.0000000        
H   1
  1      1.8033900              1.0000000        
H   1
  1      0.9588360              1.0000000        


name: cc-pwCVDZ-PP MP2 Fitting
description: cc-pwCVDZ-PP/MP2Fit auxiliary basis set
elt: Ir
data:
IRIDIUM
S   1
  1      6.2549400              1.0000000        
S   1
  1      5.4248300              1.0000000        
S   1
  1      4.5420100              1.0000000        
S   1
  1      2.8020900              1.0000000        
S   1
  1      1.2745000              1.0000000        
S   1
  1      0.8123510              1.0000000        
S   1
  1      0.3214490              1.0000000        
S   1
  1      0.2007550              1.0000000        
S   1
  1      0.1024590              1.0000000        
P   1
  1      8.5096300              1.0000000        
P   1
  1      5.7926300              1.0000000        
P   1
  1      3.7950900              1.0000000        
P   1
  1      2.5709600              1.0000000        
P   1
  1      1.2144100              1.0000000        
P   1
  1      0.7864200              1.0000000        
P   1
  1      0.3427770              1.0000000        
P   1
  1      0.2127550              1.0000000        
P   1
  1      0.0915330              1.0000000        
D   1
  1      6.1431400              1.0000000        
D   1
  1      4.7466100              1.0000000        
D   1
  1      3.0136500              1.0000000        
D   1
  1      1.4434900              1.0000000        
D   1
  1      0.8307680              1.0000000        
D   1
  1      0.3857310              1.0000000        
D   1
  1      0.1696360              1.0000000        
F   1
  1      6.9436300              1.0000000        
F   1
  1      4.6026400              1.0000000        
F   1
  1      2.9397000              1.0000000        
F   1
  1      1.4856600              1.0000000        
F   1
  1      0.8373860              1.0000000        
F   1
  1      0.3530980              1.0000000        
F   1
  1      0.1847960              1.0000000        
G   1
  1      6.1519100              1.0000000        
G   1
  1      3.5522700              1.0000000        
G   1
  1      2.0818900              1.0000000        
G   1
  1      1.1665800              1.0000000        
G   1
  1      0.5577600              1.0000000        
G   1
  1      0.2611610              1.0000000        
H   1
  1      2.8478000              1.0000000        
H   1
  1      2.0628400              1.0000000        
H   1
  1      1.0876800              1.0000000        


name: cc-pwCVDZ-PP MP2 Fitting
description: cc-pwCVDZ-PP/MP2Fit auxiliary basis set
elt: Pt
data:
PLATINUM
S   1
  1      6.7300000              1.0000000        
S   1
  1      5.7177000              1.0000000        
S   1
  1      4.2083800              1.0000000        
S   1
  1      2.9085800              1.0000000        
S   1
  1      1.5522200              1.0000000        
S   1
  1      0.8280430              1.0000000        
S   1
  1      0.4017630              1.0000000        
S   1
  1      0.2037810              1.0000000        
S   1
  1      0.0998380              1.0000000        
P   1
  1      8.5266200              1.0000000        
P   1
  1      5.8564800              1.0000000        
P   1
  1      3.9082700              1.0000000        
P   1
  1      2.4971100              1.0000000        
P   1
  1      1.2322500              1.0000000        
P   1
  1      0.8239010              1.0000000        
P   1
  1      0.3656650              1.0000000        
P   1
  1      0.2018250              1.0000000        
P   1
  1      0.0920040              1.0000000        
D   1
  1      6.1553400              1.0000000        
D   1
  1      5.1709500              1.0000000        
D   1
  1      3.0392600              1.0000000        
D   1
  1      1.3777300              1.0000000        
D   1
  1      0.8686750              1.0000000        
D   1
  1      0.4157110              1.0000000        
D   1
  1      0.1840400              1.0000000        
F   1
  1      5.6368100              1.0000000        
F   1
  1      4.3585100              1.0000000        
F   1
  1      2.7442700              1.0000000        
F   1
  1      1.3368600              1.0000000        
F   1
  1      0.7914700              1.0000000        
F   1
  1      0.3322210              1.0000000        
F   1
  1      0.1642700              1.0000000        
G   1
  1      6.3488100              1.0000000        
G   1
  1      3.2979700              1.0000000        
G   1
  1      2.1996000              1.0000000        
G   1
  1      1.2201600              1.0000000        
G   1
  1      0.6064830              1.0000000        
G   1
  1      0.2631720              1.0000000        
H   1
  1      3.0176300              1.0000000        
H   1
  1      2.0659000              1.0000000        
H   1
  1      1.1949300              1.0000000        


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


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


name: cc-pwCVQZ-DK
description: QZ3P All-electron Douglas-Kroll Core-Valence Quadruple Zeta + Polarization
elt: Cu
data:
COPPER
S   21
  1 16665490.0000000            0.0000690        
  2 2495213.0000000             0.0001920        
  3 567850.7000000              0.0005020        
  4 160853.1000000              0.0012000        
  5  52481.8600000              0.0028120        
  6  18948.8500000              0.0065760        
  7   7391.6550000              0.0155630        
  8   3066.5170000              0.0366600        
  9   1337.9940000              0.0824010        
 10    608.7830000              0.1643320        
 11    286.8980000              0.2621450        
 12    139.1530000              0.2764660        
 13     68.4945500              0.1478900        
 14     31.6010800              0.0715990        
 15     15.9915800              0.1144220        
 16      8.0565100              0.0747330        
 17      3.6903290              0.0089010        
 18      1.7629020             -0.0003240        
 19      0.8012690             -0.0000580        
 20      0.1842430             -0.0000130        
 21      0.0817930              0.0000070        
S   21
  1 16665490.0000000           -0.0000390        
  2 2495213.0000000            -0.0001080        
  3 567850.7000000             -0.0002830        
  4 160853.1000000             -0.0006760        
  5  52481.8600000             -0.0015880        
  6  18948.8500000             -0.0037300        
  7   7391.6550000             -0.0088800        
  8   3066.5170000             -0.0212230        
  9   1337.9940000             -0.0488990        
 10    608.7830000             -0.1033220        
 11    286.8980000             -0.1841780        
 12    139.1530000             -0.2462790        
 13     68.4945500             -0.1557580        
 14     31.6010800              0.2083890        
 15     15.9915800              0.5500740        
 16      8.0565100              0.3499800        
 17      3.6903290              0.0438090        
 18      1.7629020             -0.0036690        
 19      0.8012690             -0.0005070        
 20      0.1842430             -0.0001860        
 21      0.0817930              0.0001150        
S   21
  1 16665490.0000000            0.0000090        
  2 2495213.0000000             0.0000240        
  3 567850.7000000              0.0000640        
  4 160853.1000000              0.0001530        
  5  52481.8600000              0.0003590        
  6  18948.8500000              0.0008470        
  7   7391.6550000              0.0020240        
  8   3066.5170000              0.0049000        
  9   1337.9940000              0.0114730        
 10    608.7830000              0.0253410        
 11    286.8980000              0.0483250        
 12    139.1530000              0.0738920        
 13     68.4945500              0.0509150        
 14     31.6010800             -0.1083140        
 15     15.9915800             -0.3914490        
 16      8.0565100             -0.3369910        
 17      3.6903290              0.3223440        
 18      1.7629020              0.6829570        
 19      0.8012690              0.2970280        
 20      0.1842430              0.0119740        
 21      0.0817930             -0.0026920        
S   21
  1 16665490.0000000           -0.0000020        
  2 2495213.0000000            -0.0000050        
  3 567850.7000000             -0.0000130        
  4 160853.1000000             -0.0000310        
  5  52481.8600000             -0.0000730        
  6  18948.8500000             -0.0001730        
  7   7391.6550000             -0.0004130        
  8   3066.5170000             -0.0010020        
  9   1337.9940000             -0.0023440        
 10    608.7830000             -0.0051920        
 11    286.8980000             -0.0098910        
 12    139.1530000             -0.0152450        
 13     68.4945500             -0.0104490        
 14     31.6010800              0.0225660        
 15     15.9915800              0.0864480        
 16      8.0565100              0.0753310        
 17      3.6903290             -0.0842130        
 18      1.7629020             -0.2151650        
 19      0.8012690             -0.1866230        
 20      0.1842430              0.2899280        
 21      0.0817930              0.5722780        
S   21
  1 16665490.0000000           -0.0000030        
  2 2495213.0000000            -0.0000090        
  3 567850.7000000             -0.0000240        
  4 160853.1000000             -0.0000590        
  5  52481.8600000             -0.0001370        
  6  18948.8500000             -0.0003320        
  7   7391.6550000             -0.0007580        
  8   3066.5170000             -0.0019560        
  9   1337.9940000             -0.0042140        
 10    608.7830000             -0.0103720        
 11    286.8980000             -0.0171440        
 12    139.1530000             -0.0325260        
 13     68.4945500             -0.0120170        
 14     31.6010800              0.0239630        
 15     15.9915800              0.2119610        
 16      8.0565100              0.0842800        
 17      3.6903290             -0.0894720        
 18      1.7629020             -0.8091960        
 19      0.8012690              0.3242170        
 20      0.1842430              1.4472890        
 21      0.0817930             -0.4431320        
S   21
  1 16665490.0000000           -0.0000070        
  2 2495213.0000000            -0.0000190        
  3 567850.7000000             -0.0000490        
  4 160853.1000000             -0.0001170        
  5  52481.8600000             -0.0002720        
  6  18948.8500000             -0.0006580        
  7   7391.6550000             -0.0015150        
  8   3066.5170000             -0.0038590        
  9   1337.9940000             -0.0084690        
 10    608.7830000             -0.0203920        
 11    286.8980000             -0.0348960        
 12    139.1530000             -0.0634080        
 13     68.4945500             -0.0280780        
 14     31.6010800              0.0570580        
 15     15.9915800              0.4302750        
 16      8.0565100              0.2973020        
 17      3.6903290             -0.7723650        
 18      1.7629020             -1.5798620        
 19      0.8012690              2.5350850        
 20      0.1842430             -0.5516530        
 21      0.0817930             -1.3122570        
S   21
  1 16665490.0000000           -0.0000070        
  2 2495213.0000000            -0.0000200        
  3 567850.7000000             -0.0000520        
  4 160853.1000000             -0.0001210        
  5  52481.8600000             -0.0003000        
  6  18948.8500000             -0.0006410        
  7   7391.6550000             -0.0017830        
  8   3066.5170000             -0.0034630        
  9   1337.9940000             -0.0107780        
 10    608.7830000             -0.0163220        
 11    286.8980000             -0.0508210        
 12    139.1530000             -0.0344510        
 13     68.4945500             -0.1011720        
 14     31.6010800              0.2246670        
 15     15.9915800              0.1699430        
 16      8.0565100              1.1132610        
 17      3.6903290             -3.5632140        
 18      1.7629020              2.7675090        
 19      0.8012690              0.2188800        
 20      0.1842430             -3.2660310        
 21      0.0817930              4.5609720        
S   1
  1      0.0353030              1.0000000        
S   1
  1      7.2310000              1.0000000        
S   1
  1      1.9080000              1.0000000        
P   16
  1  48218.4100000              0.0000610        
  2  11420.5500000              0.0002180        
  3   3713.5690000              0.0008730        
  4   1423.7620000              0.0031990        
  5    606.6041000              0.0109150        
  6    278.2564000              0.0328650        
  7    134.8449000              0.0852580        
  8     68.1225400              0.1802690        
  9     35.4008800              0.2930290        
 10     18.7902900              0.3282030        
 11     10.0835600              0.2037720        
 12      5.3461200              0.0514610        
 13      2.7752280              0.0013730        
 14      1.4075640             -0.0018930        
 15      0.6872130             -0.0010340        
 16      0.2473970             -0.0000600        
P   17
  1  48218.4100000             -0.0000220        
  2  11420.5500000             -0.0000790        
  3   3713.5690000             -0.0003170        
  4   1423.7620000             -0.0011670        
  5    606.6041000             -0.0040020        
  6    278.2564000             -0.0122280        
  7    134.8449000             -0.0324630        
  8     68.1225400             -0.0712940        
  9     35.4008800             -0.1210220        
 10     18.7902900             -0.1421450        
 11     10.0835600             -0.0363680        
 12      5.3461200              0.2125470        
 13      2.7752280              0.4098670        
 14      1.4075640              0.3653240        
 15      0.6872130              0.1559160        
 16      0.2473970              0.0154970        
 17      0.0961870             -0.0015450        
P   17
  1  48218.4100000              0.0000040        
  2  11420.5500000              0.0000150        
  3   3713.5690000              0.0000620        
  4   1423.7620000              0.0002260        
  5    606.6041000              0.0007840        
  6    278.2564000              0.0023700        
  7    134.8449000              0.0063880        
  8     68.1225400              0.0138590        
  9     35.4008800              0.0241140        
 10     18.7902900              0.0275710        
 11     10.0835600              0.0070970        
 12      5.3461200             -0.0519240        
 13      2.7752280             -0.0926040        
 14      1.4075640             -0.1055640        
 15      0.6872130              0.0063780        
 16      0.2473970              0.3117760        
 17      0.0961870              0.5407510        
P   17
  1  48218.4100000              0.0000090        
  2  11420.5500000              0.0000300        
  3   3713.5690000              0.0001240        
  4   1423.7620000              0.0004430        
  5    606.6041000              0.0015740        
  6    278.2564000              0.0046340        
  7    134.8449000              0.0128440        
  8     68.1225400              0.0269700        
  9     35.4008800              0.0491200        
 10     18.7902900              0.0529930        
 11     10.0835600              0.0206170        
 12      5.3461200             -0.1226650        
 13      2.7752280             -0.1911910        
 14      1.4075640             -0.2074430        
 15      0.6872130              0.1926460        
 16      0.2473970              0.6490010        
 17      0.0961870              0.3287320        
P   17
  1  48218.4100000              0.0000170        
  2  11420.5500000              0.0000580        
  3   3713.5690000              0.0002460        
  4   1423.7620000              0.0008420        
  5    606.6041000              0.0031310        
  6    278.2564000              0.0087870        
  7    134.8449000              0.0257090        
  8     68.1225400              0.0507520        
  9     35.4008800              0.1002550        
 10     18.7902900              0.1005250        
 11     10.0835600              0.0733500        
 12      5.3461200             -0.3887260        
 13      2.7752280             -0.4495470        
 14      1.4075640             -0.0766170        
 15      0.6872130              1.1820700        
 16      0.2473970             -0.0996590        
 17      0.0961870             -0.7171210        
P   17
  1  48218.4100000              0.0000210        
  2  11420.5500000              0.0000800        
  3   3713.5690000              0.0002990        
  4   1423.7620000              0.0011990        
  5    606.6041000              0.0037440        
  6    278.2564000              0.0127080        
  7    134.8449000              0.0303320        
  8     68.1225400              0.0759830        
  9     35.4008800              0.1085020        
 10     18.7902900              0.2051540        
 11     10.0835600              0.0570150        
 12      5.3461200             -0.9117820        
 13      2.7752280             -0.5409620        
 14      1.4075640              1.9497620        
 15      0.6872130             -0.5880390        
 16      0.2473970             -1.1302240        
 17      0.0961870              1.0441460        
P   1
  1      0.0369480              1.0000000        
P   1
  1     11.9218000              1.0000000        
P   1
  1      3.2325000              1.0000000        
D   10
  1    556.3170000              0.0002610        
  2    163.6920000              0.0023440        
  3     62.7973000              0.0124860        
  4     27.2478000              0.0442820        
  5     12.6298000              0.1159340        
  6      6.1034100              0.2174500        
  7      2.9654480              0.2914210        
  8      1.4126530              0.2983570        
  9      0.6498450              0.2379860        
 10      0.2837010              0.1332530        
D   10
  1    556.3170000             -0.0003240        
  2    163.6920000             -0.0029180        
  3     62.7973000             -0.0155940        
  4     27.2478000             -0.0559610        
  5     12.6298000             -0.1518160        
  6      6.1034100             -0.2797870        
  7      2.9654480             -0.2715330        
  8      1.4126530              0.0180900        
  9      0.6498450              0.3562040        
 10      0.2837010              0.4201600        
D   10
  1    556.3170000              0.0003890        
  2    163.6920000              0.0035340        
  3     62.7973000              0.0189360        
  4     27.2478000              0.0689280        
  5     12.6298000              0.1972720        
  6      6.1034100              0.3487360        
  7      2.9654480              0.0597030        
  8      1.4126530             -0.5596990        
  9      0.6498450             -0.3880260        
 10      0.2837010              0.4383270        
D   10
  1    556.3170000             -0.0006030        
  2    163.6920000             -0.0050540        
  3     62.7973000             -0.0293200        
  4     27.2478000             -0.1016320        
  5     12.6298000             -0.3526730        
  6      6.1034100             -0.4213890        
  7      2.9654480              0.7343300        
  8      1.4126530              0.5564940        
  9      0.6498450             -0.9765450        
 10      0.2837010             -0.0899130        
D   1
  1      0.1133290              1.0000000        
D   1
  1      8.4804000              1.0000000        
D   1
  1      4.4553000              1.0000000        
F   1
  1     11.9463000              1.0000000        
F   1
  1      5.0345000              1.0000000        
F   1
  1      2.1217000              1.0000000        
F   1
  1      0.7284000              1.0000000        
G   1
  1      9.5934000              1.0000000        
G   1
  1      4.3083000              1.0000000        
G   1
  1      1.7494000              1.0000000        
H   1
  1      8.5704000              1.0000000        
H   1
  1      3.7293000              1.0000000        


name: cc-pwCVQZ-DK
description: QZ3P All-electron Douglas-Kroll Core-Valence Quadruple Zeta + Polarization
elt: Zn
data:
ZINC
S   21
  1      0.1785293E+08          0.0000790        
  2 2673038.0000000             0.0002200        
  3 608324.4000000              0.0005730        
  4 172317.6000000              0.0013640        
  5  56222.6900000              0.0031790        
  6  20299.8500000              0.0073820        
  7   7918.8710000              0.0173430        
  8   3285.3400000              0.0406290        
  9   1433.5240000              0.0911280        
 10    652.2889000              0.1824150        
 11    307.4360000              0.2944610        
 12    149.1466000              0.3208580        
 13     73.4510800              0.1763940        
 14     33.9256200              0.0269500        
 15     17.1894700             -0.0014620        
 16      8.6665950              0.0009880        
 17      3.9725050             -0.0004540        
 18      1.8946650              0.0001670        
 19      0.8593850             -0.0000670        
 20      0.1952560              0.0000210        
 21      0.0858540             -0.0000150        
S   21
  1      0.1785293E+08         -0.0000250        
  2 2673038.0000000            -0.0000690        
  3 608324.4000000             -0.0001810        
  4 172317.6000000             -0.0004320        
  5  56222.6900000             -0.0010080        
  6  20299.8500000             -0.0023580        
  7   7918.8710000             -0.0055880        
  8   3285.3400000             -0.0133770        
  9   1433.5240000             -0.0311060        
 10    652.2889000             -0.0675820        
 11    307.4360000             -0.1266200        
 12    149.1466000             -0.1842860        
 13     73.4510800             -0.1210030        
 14     33.9256200              0.2220190        
 15     17.1894700              0.5609470        
 16      8.6665950              0.3524860        
 17      3.9725050              0.0454330        
 18      1.8946650              0.0000520        
 19      0.8593850              0.0010090        
 20      0.1952560             -0.0001180        
 21      0.0858540              0.0000890        
S   21
  1      0.1785293E+08          0.0000090        
  2 2673038.0000000             0.0000260        
  3 608324.4000000              0.0000690        
  4 172317.6000000              0.0001640        
  5  56222.6900000              0.0003820        
  6  20299.8500000              0.0008950        
  7   7918.8710000              0.0021220        
  8   3285.3400000              0.0051030        
  9   1433.5240000              0.0118880        
 10    652.2889000              0.0261860        
 11    307.4360000              0.0498050        
 12    149.1466000              0.0759660        
 13     73.4510800              0.0517660        
 14     33.9256200             -0.1129780        
 15     17.1894700             -0.4012980        
 16      8.6665950             -0.3347370        
 17      3.9725050              0.3331000        
 18      1.8946650              0.6889720        
 19      0.8593850              0.2848640        
 20      0.1952560              0.0082440        
 21      0.0858540             -0.0030930        
S   21
  1      0.1785293E+08         -0.0000020        
  2 2673038.0000000            -0.0000050        
  3 608324.4000000             -0.0000140        
  4 172317.6000000             -0.0000330        
  5  56222.6900000             -0.0000770        
  6  20299.8500000             -0.0001820        
  7   7918.8710000             -0.0004290        
  8   3285.3400000             -0.0010360        
  9   1433.5240000             -0.0024050        
 10    652.2889000             -0.0053370        
 11    307.4360000             -0.0100900        
 12    149.1466000             -0.0156710        
 13     73.4510800             -0.0104000        
 14     33.9256200              0.0231260        
 15     17.1894700              0.0899450        
 16      8.6665950              0.0735120        
 17      3.9725050             -0.0850030        
 18      1.8946650             -0.2289690        
 19      0.8593850             -0.1810930        
 20      0.1952560              0.3479990        
 21      0.0858540              0.5700400        
S   21
  1      0.1785293E+08         -0.0000050        
  2 2673038.0000000            -0.0000150        
  3 608324.4000000             -0.0000390        
  4 172317.6000000             -0.0000930        
  5  56222.6900000             -0.0002130        
  6  20299.8500000             -0.0005170        
  7   7918.8710000             -0.0011580        
  8   3285.3400000             -0.0030170        
  9   1433.5240000             -0.0063280        
 10    652.2889000             -0.0159920        
 11    307.4360000             -0.0253830        
 12    149.1466000             -0.0508780        
 13     73.4510800             -0.0147930        
 14     33.9256200              0.0305570        
 15     17.1894700              0.3475700        
 16      8.6665950              0.1094030        
 17      3.9725050             -0.2208400        
 18      1.8946650             -1.3044110        
 19      0.8593850              1.0663570        
 20      0.1952560              1.4271740        
 21      0.0858540             -1.2613610        
S   21
  1      0.1785293E+08          0.0000070        
  2 2673038.0000000             0.0000210        
  3 608324.4000000              0.0000540        
  4 172317.6000000              0.0001270        
  5  56222.6900000              0.0002990        
  6  20299.8500000              0.0006950        
  7   7918.8710000              0.0016700        
  8   3285.3400000              0.0039400        
  9   1433.5240000              0.0094460        
 10    652.2889000              0.0201520        
 11    307.4360000              0.0404710        
 12    149.1466000              0.0582110        
 13     73.4510800              0.0480920        
 14     33.9256200             -0.1061780        
 15     17.1894700             -0.3822290        
 16      8.6665950             -0.5135870        
 17      3.9725050              1.5357960        
 18      1.8946650              0.6749030        
 19      0.8593850             -2.5422360        
 20      0.1952560              2.3368240        
 21      0.0858540             -0.9072220        
S   21
  1      0.1785293E+08         -0.0000100        
  2 2673038.0000000            -0.0000280        
  3 608324.4000000             -0.0000730        
  4 172317.6000000             -0.0001710        
  5  56222.6900000             -0.0004140        
  6  20299.8500000             -0.0009140        
  7   7918.8710000             -0.0023740        
  8   3285.3400000             -0.0050120        
  9   1433.5240000             -0.0139070        
 10    652.2889000             -0.0245170        
 11    307.4360000             -0.0633700        
 12    149.1466000             -0.0618520        
 13     73.4510800             -0.1068480        
 14     33.9256200              0.2254310        
 15     17.1894700              0.5674800        
 16      8.6665950              1.0107520        
 17      3.9725050             -5.5611700        
 18      1.8946650              6.9915000        
 19      0.8593850             -3.5424600        
 20      0.1952560              0.0395280        
 21      0.0858540              1.6266830        
S   1
  1      0.0367810              1.0000000        
S   1
  1      8.5751000              1.0000000        
S   1
  1      3.2475000              1.0000000        
P   17
  1  52867.9300000              0.0000630        
  2  12511.7900000              0.0002210        
  3   4065.2860000              0.0008710        
  4   1557.5950000              0.0031550        
  5    663.2892000              0.0107140        
  6    304.1561000              0.0322280        
  7    147.3680000              0.0837700        
  8     74.4546900              0.1778440        
  9     38.7149300              0.2905790        
 10     20.5702200              0.3275000        
 11     11.0542500              0.2059230        
 12      5.8746610              0.0549140        
 13      3.0529360              0.0049090        
 14      1.5472250              0.0009730        
 15      0.7541510              0.0001840        
 16      0.2655530              0.0000500        
 17      0.1019080             -0.0000120        
P   17
  1  52867.9300000             -0.0000240        
  2  12511.7900000             -0.0000830        
  3   4065.2860000             -0.0003270        
  4   1557.5950000             -0.0011910        
  5    663.2892000             -0.0040650        
  6    304.1561000             -0.0124020        
  7    147.3680000             -0.0329760        
  8     74.4546900             -0.0726830        
  9     38.7149300             -0.1239840        
 10     20.5702200             -0.1462900        
 11     11.0542500             -0.0402280        
 12      5.8746610              0.2098190        
 13      3.0529360              0.4113650        
 14      1.5472250              0.3688220        
 15      0.7541510              0.1542010        
 16      0.2655530              0.0141420        
 17      0.1019080             -0.0015040        
P   17
  1  52867.9300000              0.0000040        
  2  12511.7900000              0.0000150        
  3   4065.2860000              0.0000610        
  4   1557.5950000              0.0002180        
  5    663.2892000              0.0007550        
  6    304.1561000              0.0022760        
  7    147.3680000              0.0061530        
  8     74.4546900              0.0133900        
  9     38.7149300              0.0234670        
 10     20.5702200              0.0268920        
 11     11.0542500              0.0074420        
 12      5.8746610             -0.0497760        
 13      3.0529360             -0.0890630        
 14      1.5472250             -0.1028810        
 15      0.7541510              0.0042210        
 16      0.2655530              0.3049800        
 17      0.1019080              0.5410500        
P   17
  1  52867.9300000              0.0000080        
  2  12511.7900000              0.0000270        
  3   4065.2860000              0.0001090        
  4   1557.5950000              0.0003850        
  5    663.2892000              0.0013540        
  6    304.1561000              0.0040080        
  7    147.3680000              0.0110550        
  8     74.4546900              0.0234910        
  9     38.7149300              0.0425770        
 10     20.5702200              0.0468610        
 11     11.0542500              0.0177220        
 12      5.8746610             -0.1003030        
 13      3.0529360             -0.1633930        
 14      1.5472250             -0.1893930        
 15      0.7541510              0.1172440        
 16      0.2655530              0.6469500        
 17      0.1019080              0.3799520        
P   17
  1  52867.9300000              0.0000170        
  2  12511.7900000              0.0000580        
  3   4065.2860000              0.0002460        
  4   1557.5950000              0.0008210        
  5    663.2892000              0.0030900        
  6    304.1561000              0.0085000        
  7    147.3680000              0.0254170        
  8     74.4546900              0.0492100        
  9     38.7149300              0.1006690        
 10     20.5702200              0.0965090        
 11     11.0542500              0.0819270        
 12      5.8746610             -0.3834010        
 13      3.0529360             -0.4182030        
 14      1.5472250             -0.1677070        
 15      0.7541510              1.1948090        
 16      0.2655530             -0.0019210        
 17      0.1019080             -0.7337660        
P   17
  1  52867.9300000             -0.0000220        
  2  12511.7900000             -0.0000800        
  3   4065.2860000             -0.0002860        
  4   1557.5950000             -0.0011850        
  5    663.2892000             -0.0034930        
  6    304.1561000             -0.0125320        
  7    147.3680000             -0.0281370        
  8     74.4546900             -0.0760000        
  9     38.7149300             -0.0985060        
 10     20.5702200             -0.2143670        
 11     11.0542500             -0.0265110        
 12      5.8746610              0.7728880        
 13      3.0529360              0.6874980        
 14      1.5472250             -1.8748440        
 15      0.7541510              0.3864500        
 16      0.2655530              1.2436150        
 17      0.1019080             -1.0725970        
P   1
  1      0.0386230              1.0000000        
P   1
  1     12.6589000              1.0000000        
P   1
  1      3.4452000              1.0000000        
D   10
  1    690.0847000              0.0002080        
  2    202.3066000              0.0018800        
  3     77.4459400              0.0103150        
  4     33.6837800              0.0379340        
  5     15.6699800              0.1028900        
  6      7.6224700              0.2026810        
  7      3.7499780              0.2845300        
  8      1.8181510              0.3024300        
  9      0.8555970              0.2489250        
 10      0.3838420              0.1422960        
D   10
  1    690.0847000             -0.0002900        
  2    202.3066000             -0.0026300        
  3     77.4459400             -0.0145340        
  4     33.6837800             -0.0539330        
  5     15.6699800             -0.1524270        
  6      7.6224700             -0.3000970        
  7      3.7499780             -0.3103010        
  8      1.8181510              0.0218570        
  9      0.8555970              0.3961220        
 10      0.3838420              0.3968090        
D   10
  1    690.0847000             -0.0003220        
  2    202.3066000             -0.0029800        
  3     77.4459400             -0.0163530        
  4     33.6837800             -0.0616730        
  5     15.6699800             -0.1858900        
  6      7.6224700             -0.3750080        
  7      3.7499780             -0.0401820        
  8      1.8181510              0.6109590        
  9      0.8555970              0.3386520        
 10      0.3838420             -0.4891340        
D   10
  1    690.0847000              0.0004570        
  2    202.3066000              0.0037910        
  3     77.4459400              0.0230360        
  4     33.6837800              0.0812020        
  5     15.6699800              0.2937930        
  6      7.6224700              0.4477370        
  7      3.7499780             -0.6033540        
  8      1.8181510             -0.6904040        
  9      0.8555970              0.9760680        
 10      0.3838420              0.2286070        
D   1
  1      0.1579520              1.0000000        
D   1
  1      9.2106000              1.0000000        
D   1
  1      5.1966000              1.0000000        
F   1
  1     13.1492000              1.0000000        
F   1
  1      5.6206000              1.0000000        
F   1
  1      2.4025000              1.0000000        
F   1
  1      0.8403000              1.0000000        
G   1
  1     10.7622000              1.0000000        
G   1
  1      4.9010000              1.0000000        
G   1
  1      2.0378000              1.0000000        
H   1
  1      9.6056000              1.0000000        
H   1
  1      4.3396000              1.0000000        


name: cc-pwCVQZ-NR
description: QZ3P All-electron non-relativistic Core-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             2.22196E-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        
S   1
  1      3.1343000              1.0000000        
S   1
  1      1.7369000              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        
P   1
  1      4.0678000              1.0000000        
P   1
  1      0.9987000              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        
D   1
  1      2.1374000              1.0000000        
D   1
  1      0.9795000              1.0000000        
F   1
  1      2.7750000              1.0000000        
F   1
  1      1.0597000              1.0000000        
F   1
  1      0.4046000              1.0000000        
F   1
  1      0.1125000              1.0000000        
G   1
  1      2.4928000              1.0000000        
G   1
  1      0.9149000              1.0000000        
G   1
  1      0.2573000              1.0000000        
H   1
  1      2.0516000              1.0000000        
H   1
  1      0.5016000              1.0000000        


name: cc-pwCVQZ-NR
description: QZ3P All-electron non-relativistic Core-Valence Quadruple Zeta + Polarization
elt: Ti
data:
TITANIUM
S   21
  1 9317034.0000000             1.967884E-06     
  2 1394971.0000000             1.530198E-05     
  3 317453.1000000              8.050403E-05     
  4  89921.0000000              0.0003400302     
  5  29338.1600000              0.001238349      
  6  10592.6600000              0.004028475      
  7   4132.0560000              0.01192508       
  8   1714.2350000              0.03215601       
  9    747.9151000              0.0777862        
 10    340.1991000              0.1612030        
 11    160.2060000              0.2618826        
 12     77.5885100              0.2766541        
 13     38.0448900              0.1442968        
 14     17.3536200              0.06993131       
 15      8.6420620              0.1259449        
 16      4.3044040              0.0902583        
 17      1.9377180              0.01200401       
 18      0.9365940             -0.0003976168     
 19      0.4326240              0.0001425444     
 20      0.1073520             -4.196664E-05     
 21      0.0520340              4.824213E-05     
S   21
  1 9317034.0000000            -1.130007E-06     
  2 1394971.0000000            -8.789416E-06     
  3 317453.1000000             -4.622623E-05     
  4  89921.0000000             -0.0001954047     
  5  29338.1600000             -0.0007117        
  6  10592.6600000             -0.002321755      
  7   4132.0560000             -0.006899511      
  8   1714.2350000             -0.01883765       
  9    747.9151000             -0.04663976       
 10    340.1991000             -0.1020764        
 11    160.2060000             -0.1848693        
 12     77.5885100             -0.2479601        
 13     38.0448900             -0.1634863        
 14     17.3536200              0.1779147        
 15      8.6420620              0.5351738        
 16      4.3044040              0.3752822        
 17      1.9377180              0.05217038       
 18      0.9365940             -0.003863192      
 19      0.4326240              0.0002845374     
 20      0.1073520             -0.0003500414     
 21      0.0520340              0.0003192906     
S   21
  1 9317034.0000000             2.252735E-07     
  2 1394971.0000000             1.753631E-06     
  3 317453.1000000              9.213052E-06     
  4  89921.0000000              3.901242E-05     
  5  29338.1600000              0.0001419184     
  6  10592.6600000              0.0004648635     
  7   4132.0560000              0.001383544      
  8   1714.2350000              0.003827354      
  9    747.9151000              0.009639191      
 10    340.1991000              0.02211719       
 11    160.2060000              0.04314954       
 12     77.5885100              0.06703481       
 13     38.0448900              0.04946424       
 14     17.3536200             -0.08333456       
 15      8.6420620             -0.3384435        
 16      4.3044040             -0.3674069        
 17      1.9377180              0.2247056        
 18      0.9365940              0.6878815        
 19      0.4326240              0.3594435        
 20      0.1073520              0.01933695       
 21      0.0520340             -0.005997819      
S   21
  1 9317034.0000000            -5.318433E-08     
  2 1394971.0000000            -4.139855E-07     
  3 317453.1000000             -2.175153E-06     
  4  89921.0000000             -9.209567E-06     
  5  29338.1600000             -3.350761E-05     
  6  10592.6600000             -0.0001097393     
  7   4132.0560000             -0.0003267006     
  8   1714.2350000             -0.0009036567     
  9    747.9151000             -0.002277257      
 10    340.1991000             -0.005226756      
 11    160.2060000             -0.01021707       
 12     77.5885100             -0.01591468       
 13     38.0448900             -0.01182814       
 14     17.3536200              0.02011999       
 15      8.6420620              0.08526584       
 16      4.3044040              0.09693489       
 17      1.9377180             -0.07082672       
 18      0.9365940             -0.2359740        
 19      0.4326240             -0.2629613        
 20      0.1073520              0.3011214        
 21      0.0520340              0.6125074        
S   21
  1 9317034.0000000            -9.711872E-08     
  2 1394971.0000000            -7.73397E-07      
  3 317453.1000000             -3.931052E-06     
  4  89921.0000000             -1.738323E-05     
  5  29338.1600000             -5.986536E-05     
  6  10592.6600000             -0.0002095853     
  7   4132.0560000             -0.0005756482     
  8   1714.2350000             -0.001751595      
  9    747.9151000             -0.00393512       
 10    340.1991000             -0.0103849        
 11    160.2060000             -0.0169110        
 12     77.5885100             -0.03410989       
 13     38.0448900             -0.01220437       
 14     17.3536200              0.01397535       
 15      8.6420620              0.2176212        
 16      4.3044040              0.09532708       
 17      1.9377180              0.01782524       
 18      0.9365940             -1.0163420        
 19      0.4326240              0.3107026        
 20      0.1073520              1.9917860        
 21      0.0520340             -1.1429550        
S   21
  1 9317034.0000000            -1.533644E-07     
  2 1394971.0000000            -1.234295E-06     
  3 317453.1000000             -6.177188E-06     
  4  89921.0000000             -2.787253E-05     
  5  29338.1600000             -9.355199E-05     
  6  10592.6600000             -0.0003378352     
  7   4132.0560000             -0.0008935475     
  8   1714.2350000             -0.002842353      
  9    747.9151000             -0.006052332      
 10    340.1991000             -0.0170469        
 11    160.2060000             -0.02549806       
 12     77.5885100             -0.05791149       
 13     38.0448900             -0.01271791       
 14     17.3536200              0.006260762      
 15      8.6420620              0.4080306        
 16      4.3044040              0.1284258        
 17      1.9377180             -0.1231286        
 18      0.9365940             -2.2673310        
 19      0.4326240              2.8075070        
 20      0.1073520             -0.3028009        
 21      0.0520340             -2.0712270        
S   21
  1 9317034.0000000            -1.764526E-07     
  2 1394971.0000000            -1.314401E-06     
  3 317453.1000000             -7.355464E-06     
  4  89921.0000000             -2.863762E-05     
  5  29338.1600000             -0.0001156551     
  6  10592.6600000             -0.0003330732     
  7   4132.0560000             -0.001155156      
  8   1714.2350000             -0.002659832      
  9    747.9151000             -0.008332036      
 10    340.1991000             -0.01462611       
 11    160.2060000             -0.0403089        
 12     77.5885100             -0.03745842       
 13     38.0448900             -0.07375959       
 14     17.3536200              0.1443268        
 15      8.6420620              0.2119031        
 16      4.3044040              0.7474187        
 17      1.9377180             -2.0310800        
 18      0.9365940              0.1922693        
 19      0.4326240              2.2877680        
 20      0.1073520             -5.1681350        
 21      0.0520340              6.4603230        
S   1
  1      0.0240380              1.0000000        
S   1
  1      4.0263000              1.0000000        
S   1
  1      1.0457000              1.0000000        
P   17
  1  25537.3300000              0.0000120        
  2   6042.2430000              0.0001040        
  3   1962.6530000              0.0006070        
  4    751.7338000              0.0027510        
  5    319.8833000              0.0102660        
  6    146.4300000              0.0321800        
  7     70.7486100              0.0844860        
  8     35.5908800              0.1783320        
  9     18.3689300              0.2885740        
 10      9.6586550              0.3287580        
 11      5.1367300              0.2115410        
 12      2.6988720              0.0555190        
 13      1.3897030              0.0020200        
 14      0.7031630             -0.0014290        
 15      0.3441230             -0.0009410        
 16      0.1413610             -0.0000530        
 17      0.0608630             -0.0000170        
P   17
  1  25537.3300000             -0.0000040        
  2   6042.2430000             -0.0000350        
  3   1962.6530000             -0.0002030        
  4    751.7338000             -0.0009250        
  5    319.8833000             -0.0034700        
  6    146.4300000             -0.0110200        
  7     70.7486100             -0.0295770        
  8     35.5908800             -0.0645740        
  9     18.3689300             -0.1084580        
 10      9.6586550             -0.1319100        
 11      5.1367300             -0.0530890        
 12      2.6988720              0.1781250        
 13      1.3897030              0.3957010        
 14      0.7031630              0.3927280        
 15      0.3441230              0.1744770        
 16      0.1413610              0.0189460        
 17      0.0608630             -0.0003280        
P   17
  1  25537.3300000              0.0000010        
  2   6042.2430000              0.0000080        
  3   1962.6530000              0.0000490        
  4    751.7338000              0.0002210        
  5    319.8833000              0.0008360        
  6    146.4300000              0.0026410        
  7     70.7486100              0.0071510        
  8     35.5908800              0.0155300        
  9     18.3689300              0.0264790        
 10      9.6586550              0.0319800        
 11      5.1367300              0.0125610        
 12      2.6988720             -0.0529940        
 13      1.3897030             -0.1130390        
 14      0.7031630             -0.1436980        
 15      0.3441230             -0.0103360        
 16      0.1413610              0.3547360        
 17      0.0608630              0.5481010        
P   17
  1  25537.3300000              0.0000010        
  2   6042.2430000              0.0000100        
  3   1962.6530000              0.0000610        
  4    751.7338000              0.0002750        
  5    319.8833000              0.0010340        
  6    146.4300000              0.0032830        
  7     70.7486100              0.0088290        
  8     35.5908800              0.0193080        
  9     18.3689300              0.0326120        
 10      9.6586550              0.0399770        
 11      5.1367300              0.0152990        
 12      2.6988720             -0.0626200        
 13      1.3897030             -0.1382880        
 14      0.7031630             -0.1763480        
 15      0.3441230             -0.0554040        
 16      0.1413610              0.5592910        
 17      0.0608630              0.5331150        
P   17
  1  25537.3300000              0.0000020        
  2   6042.2430000              0.0000200        
  3   1962.6530000              0.0001260        
  4    751.7338000              0.0005260        
  5    319.8833000              0.0021510        
  6    146.4300000              0.0062570        
  7     70.7486100              0.0184550        
  8     35.5908800              0.0362470        
  9     18.3689300              0.0709200        
 10      9.6586550              0.0718270        
 11      5.1367300              0.0592010        
 12      2.6988720             -0.1842720        
 13      1.3897030             -0.3296530        
 14      0.7031630             -0.5457640        
 15      0.3441230              1.1454310        
 16      0.1413610              0.5526250        
 17      0.0608630             -0.9642600        
P   17
  1  25537.3300000             -0.0000030        
  2   6042.2430000             -0.0000280        
  3   1962.6530000             -0.0001340        
  4    751.7338000             -0.0007360        
  5    319.8833000             -0.0022930        
  6    146.4300000             -0.0087520        
  7     70.7486100             -0.0192260        
  8     35.5908800             -0.0525890        
  9     18.3689300             -0.0658940        
 10      9.6586550             -0.1481120        
 11      5.1367300             -0.0241240        
 12      2.6988720              0.1769790        
 13      1.3897030              1.1584280        
 14      0.7031630             -0.9634580        
 15      0.3441230             -1.3245080        
 16      0.1413610              2.2913730        
 17      0.0608630             -1.1129320        
P   1
  1      0.0259070              1.0000000        
P   1
  1      4.8140000              1.0000000        
P   1
  1      1.2166000              1.0000000        
D   10
  1    196.9490000              0.0003820        
  2     58.8372000              0.0033680        
  3     22.5654000              0.0162420        
  4      9.5756600              0.0523770        
  5      4.3185900              0.1299280        
  6      2.0232700              0.2312330        
  7      0.9467780              0.3035610        
  8      0.4338760              0.3092680        
  9      0.1922740              0.2316440        
 10      0.0815020              0.1015400        
D   10
  1    196.9490000             -0.0003880        
  2     58.8372000             -0.0034280        
  3     22.5654000             -0.0165980        
  4      9.5756600             -0.0541720        
  5      4.3185900             -0.1366600        
  6      2.0232700             -0.2294490        
  7      0.9467780             -0.2549950        
  8      0.4338760             -0.0476610        
  9      0.1922740              0.3948800        
 10      0.0815020              0.4964530        
D   10
  1    196.9490000             -0.0006220        
  2     58.8372000             -0.0054930        
  3     22.5654000             -0.0269680        
  4      9.5756600             -0.0895330        
  5      4.3185900             -0.2283740        
  6      2.0232700             -0.3312580        
  7      0.9467780             -0.1063490        
  8      0.4338760              0.6310360        
  9      0.1922740              0.3966210        
 10      0.0815020             -0.6180090        
D   10
  1    196.9490000             -0.0006960        
  2     58.8372000             -0.0070890        
  3     22.5654000             -0.0310130        
  4      9.5756600             -0.1200550        
  5      4.3185900             -0.2789100        
  6      2.0232700             -0.3789610        
  7      0.9467780              0.5737430        
  8      0.4338760              0.7279500        
  9      0.1922740             -1.2976560        
 10      0.0815020              0.3203760        
D   1
  1      0.0322850              1.0000000        
D   1
  1      2.7905000              1.0000000        
D   1
  1      1.3765000              1.0000000        
F   1
  1      3.7381000              1.0000000        
F   1
  1      1.4957000              1.0000000        
F   1
  1      0.5985000              1.0000000        
F   1
  1      0.1821000              1.0000000        
G   1
  1      3.2185000              1.0000000        
G   1
  1      1.2746000              1.0000000        
G   1
  1      0.4002000              1.0000000        
H   1
  1      2.7919000              1.0000000        
H   1
  1      0.8721000              1.0000000        


name: cc-pwCVQZ-NR
description: QZ3P All-electron non-relativistic Core-Valence Quadruple Zeta + Polarization
elt: V
data:
VANADIUM
S   21
  1 10251780.0000000            1.966291E-06     
  2 1534920.0000000             1.528967E-05     
  3 349300.9000000              8.043932E-05     
  4  98942.0500000              0.0003397617     
  5  32281.3600000              0.001237405      
  6  11655.2700000              0.00402574       
  7   4546.5480000              0.01191912       
  8   1886.1850000              0.03215431       
  9    822.9417000              0.07785452       
 10    374.3439000              0.1616367        
 11    176.3069000              0.2634194        
 12     85.4066100              0.2799986        
 13     41.9043500              0.1473474        
 14     19.1552500              0.06826405       
 15      9.5716170              0.1194436        
 16      4.7800860              0.08507582       
 17      2.1618600              0.01125814       
 18      1.0427110             -0.0003353521     
 19      0.4802820              0.0001070571     
 20      0.1176380             -2.979622E-05     
 21      0.0561740              4.672816E-05     
S   21
  1 10251780.0000000           -1.100923E-06     
  2 1534920.0000000            -8.56325E-06      
  3 349300.9000000             -4.503678E-05     
  4  98942.0500000             -0.0001903808     
  5  32281.3600000             -0.0006934284     
  6  11655.2700000             -0.002262429      
  7   4546.5480000             -0.006724991      
  8   1886.1850000             -0.01837325       
  9    822.9417000             -0.0455526        
 10    374.3439000             -0.09996969       
 11    176.3069000             -0.1819111        
 12     85.4066100             -0.2458744        
 13     41.9043500             -0.1638089        
 14     19.1552500              0.1795843        
 15      9.5716170              0.5389547        
 16      4.7800860              0.3749098        
 17      2.1618600              0.05200269       
 18      1.0427110             -0.003775873      
 19      0.4802820              0.0001686888     
 20      0.1176380             -0.0003063802     
 21      0.0561740              0.0003238096     
S   21
  1 10251780.0000000            2.278854E-07     
  2 1534920.0000000             1.773942E-06     
  3 349300.9000000              9.319992E-06     
  4  98942.0500000              3.946449E-05     
  5  32281.3600000              0.000143572      
  6  11655.2700000              0.0004702911     
  7   4546.5480000              0.001399998      
  8   1886.1850000              0.003874111      
  9    822.9417000              0.009765942      
 10    374.3439000              0.02244179       
 11    176.3069000              0.04390091       
 12     85.4066100              0.06843462       
 13     41.9043500              0.0509650        
 14     19.1552500             -0.0853594        
 15      9.5716170             -0.3474804        
 16      4.7800860             -0.3672368        
 17      2.1618600              0.2385408        
 18      1.0427110              0.6888178        
 19      0.4802820              0.3509919        
 20      0.1176380              0.01826144       
 21      0.0561740             -0.005541134      
S   21
  1 10251780.0000000           -5.275948E-08     
  2 1534920.0000000            -4.107129E-07     
  3 349300.9000000             -2.157711E-06     
  4  98942.0500000             -9.13722E-06      
  5  32281.3600000             -3.323885E-05     
  6  11655.2700000             -0.0001088925     
  7   4546.5480000             -0.0003241407     
  8   1886.1850000             -0.0008972319     
  9    822.9417000             -0.002262105      
 10    374.3439000             -0.005203068      
 11    176.3069000             -0.01019123       
 12     85.4066100             -0.0159482        
 13     41.9043500             -0.01193588       
 14     19.1552500              0.02018344       
 15      9.5716170              0.08610071       
 16      4.7800860              0.09487917       
 17      2.1618600             -0.07309753       
 18      1.0427110             -0.2349632        
 19      0.4802820             -0.2500297        
 20      0.1176380              0.3026096        
 21      0.0561740              0.6061635        
S   21
  1 10251780.0000000           -1.003479E-07     
  2 1534920.0000000            -7.997061E-07     
  3 349300.9000000             -4.060397E-06     
  4  98942.0500000             -1.79807E-05      
  5  32281.3600000             -6.18137E-05      
  6  11655.2700000             -0.0002168915     
  7   4546.5480000             -0.0005942417     
  8   1886.1850000             -0.001814506      
  9    822.9417000             -0.004064807      
 10    374.3439000             -0.01079223       
 11    176.3069000             -0.01752264       
 12     85.4066100             -0.03573873       
 13     41.9043500             -0.01263079       
 14     19.1552500              0.01393494       
 15      9.5716170              0.2305046        
 16      4.7800860              0.0936574        
 17      2.1618600              0.00782896       
 18      1.0427110             -1.0538540        
 19      0.4802820              0.3865591        
 20      0.1176380              1.9257830        
 21      0.0561740             -1.1464290        
S   21
  1 10251780.0000000           -1.592148E-07     
  2 1534920.0000000            -1.278305E-06     
  3 349300.9000000             -6.420097E-06     
  4  98942.0500000             -2.883633E-05     
  5  32281.3600000             -9.73589E-05      
  6  11655.2700000             -0.0003491402     
  7   4546.5480000             -0.0009316194     
  8   1886.1850000             -0.002934959      
  9    822.9417000             -0.006333703      
 10    374.3439000             -0.01760698       
 11    176.3069000             -0.02696848       
 12     85.4066100             -0.05982079       
 13     41.9043500             -0.01545613       
 14     19.1552500              0.01103001       
 15      9.5716170              0.4234006        
 16      4.7800860              0.1454088        
 17      2.1618600             -0.2197140        
 18      1.0427110             -2.1943290        
 19      0.4802820              2.8574410        
 20      0.1176380             -0.5832475        
 21      0.0561740             -1.6928450        
S   21
  1 10251780.0000000           -1.885199E-07     
  2 1534920.0000000            -1.39455E-06      
  3 349300.9000000             -7.881519E-06     
  4  98942.0500000             -3.027981E-05     
  5  32281.3600000             -0.000124316      
  6  11655.2700000             -0.0003507231     
  7   4546.5480000             -0.00124644       
  8   1886.1850000             -0.00278742       
  9    822.9417000             -0.009045618      
 10    374.3439000             -0.01522967       
 11    176.3069000             -0.04437496       
 12     85.4066100             -0.03793507       
 13     41.9043500             -0.08564216       
 14     19.1552500              0.1715635        
 15      9.5716170              0.2192374        
 16      4.7800860              0.8190393        
 17      2.1618600             -2.4396980        
 18      1.0427110              0.9048685        
 19      0.4802820              1.7069230        
 20      0.1176380             -4.6758140        
 21      0.0561740              6.0487340        
S   1
  1      0.0256610              1.0000000        
S   1
  1      4.4316000              1.0000000        
S   1
  1      1.2776000              1.0000000        
P   17
  1  28563.3200000              0.0000110        
  2   6757.1910000              0.0001010        
  3   2194.6520000              0.0005920        
  4    840.5257000              0.0026900        
  5    357.6666000              0.0100630        
  6    163.7534000              0.0316540        
  7     79.1446600              0.0834780        
  8     39.8385800              0.1772260        
  9     20.5853600              0.2883980        
 10     10.8430700              0.3294320        
 11      5.7779690              0.2121300        
 12      3.0431700              0.0558820        
 13      1.5702390              0.0020970        
 14      0.7949750             -0.0014710        
 15      0.3889800             -0.0009480        
 16      0.1573270             -0.0000550        
 17      0.0665660             -0.0000130        
P   17
  1  28563.3200000             -0.0000040        
  2   6757.1910000             -0.0000340        
  3   2194.6520000             -0.0002020        
  4    840.5257000             -0.0009200        
  5    357.6666000             -0.0034590        
  6    163.7534000             -0.0110250        
  7     79.1446600             -0.0297320        
  8     39.8385800             -0.0653490        
  9     20.5853600             -0.1105270        
 10     10.8430700             -0.1345370        
 11      5.7779690             -0.0524370        
 12      3.0431700              0.1822160        
 13      1.5702390              0.3980180        
 14      0.7949750              0.3891530        
 15      0.3889800              0.1727170        
 16      0.1573270              0.0187460        
 17      0.0665660             -0.0005940        
P   17
  1  28563.3200000              0.0000010        
  2   6757.1910000              0.0000080        
  3   2194.6520000              0.0000490        
  4    840.5257000              0.0002210        
  5    357.6666000              0.0008380        
  6    163.7534000              0.0026560        
  7     79.1446600              0.0072330        
  8     39.8385800              0.0158080        
  9     20.5853600              0.0271720        
 10     10.8430700              0.0328010        
 11      5.7779690              0.0123380        
 12      3.0431700             -0.0554180        
 13      1.5702390             -0.1156040        
 14      0.7949750             -0.1390920        
 15      0.3889800              0.0006820        
 16      0.1573270              0.3520090        
 17      0.0665660              0.5422050        
P   17
  1  28563.3200000              0.0000010        
  2   6757.1910000              0.0000100        
  3   2194.6520000              0.0000600        
  4    840.5257000              0.0002750        
  5    357.6666000              0.0010330        
  6    163.7534000              0.0032960        
  7     79.1446600              0.0088960        
  8     39.8385800              0.0196130        
  9     20.5853600              0.0333180        
 10     10.8430700              0.0410090        
 11      5.7779690              0.0149590        
 12      3.0431700             -0.0642560        
 13      1.5702390             -0.1418170        
 14      0.7949750             -0.1739660        
 15      0.3889800             -0.0411320        
 16      0.1573270              0.5639950        
 17      0.0665660              0.5238960        
P   17
  1  28563.3200000              0.0000020        
  2   6757.1910000              0.0000200        
  3   2194.6520000              0.0001290        
  4    840.5257000              0.0005360        
  5    357.6666000              0.0022030        
  6    163.7534000              0.0064280        
  7     79.1446600              0.0190710        
  8     39.8385800              0.0377120        
  9     20.5853600              0.0742670        
 10     10.8430700              0.0752600        
 11      5.7779690              0.0609980        
 12      3.0431700             -0.2009760        
 13      1.5702390             -0.3453430        
 14      0.7949750             -0.5018350        
 15      0.3889800              1.1436310        
 16      0.1573270              0.5044870        
 17      0.0665660             -0.9441030        
P   17
  1  28563.3200000             -0.0000030        
  2   6757.1910000             -0.0000290        
  3   2194.6520000             -0.0001410        
  4    840.5257000             -0.0007730        
  5    357.6666000             -0.0024220        
  6    163.7534000             -0.0092670        
  7     79.1446600             -0.0205550        
  8     39.8385800             -0.0564850        
  9     20.5853600             -0.0714930        
 10     10.8430700             -0.1577910        
 11      5.7779690             -0.0215520        
 12      3.0431700              0.2379500        
 13      1.5702390              1.1318370        
 14      0.7949750             -1.0891800        
 15      0.3889800             -1.1257730        
 16      0.1573270              2.1681890        
 17      0.0665660             -1.1102630        
P   1
  1      0.0278610              1.0000000        
P   1
  1      5.6395000              1.0000000        
P   1
  1      1.4302000              1.0000000        
D   10
  1    238.0090000              0.0003500        
  2     71.1896000              0.0031300        
  3     27.3946000              0.0154780        
  4     11.7173000              0.0508290        
  5      5.3248000              0.1275480        
  6      2.5169800              0.2304470        
  7      1.1907500              0.3040580        
  8      0.5518090              0.3083660        
  9      0.2469260              0.2290220        
 10      0.1051000              0.1013600        
D   10
  1    238.0090000             -0.0003700        
  2     71.1896000             -0.0033170        
  3     27.3946000             -0.0164740        
  4     11.7173000             -0.0548390        
  5      5.3248000             -0.1408390        
  6      2.5169800             -0.2395530        
  7      1.1907500             -0.2519100        
  8      0.5518090             -0.0261060        
  9      0.2469260              0.3877700        
 10      0.1051000              0.4867240        
D   10
  1    238.0090000             -0.0005750        
  2     71.1896000             -0.0051570        
  3     27.3946000             -0.0259290        
  4     11.7173000             -0.0880590        
  5      5.3248000             -0.2311790        
  6      2.5169800             -0.3383520        
  7      1.1907500             -0.0850300        
  8      0.5518090              0.6267990        
  9      0.2469260              0.3834730        
 10      0.1051000             -0.6102620        
D   10
  1    238.0090000              0.0007340        
  2     71.1896000              0.0072580        
  3     27.3946000              0.0339580        
  4     11.7173000              0.1298550        
  5      5.3248000              0.3316480        
  6      2.5169800              0.3569830        
  7      1.1907500             -0.6934390        
  8      0.5518090             -0.5768500        
  9      0.2469260              1.2280290        
 10      0.1051000             -0.3167410        
D   1
  1      0.0413930              1.0000000        
D   1
  1      3.4512000              1.0000000        
D   1
  1      1.7775000              1.0000000        
F   1
  1      4.7261000              1.0000000        
F   1
  1      1.9376000              1.0000000        
F   1
  1      0.7944000              1.0000000        
F   1
  1      0.2550000              1.0000000        
G   1
  1      3.9825000              1.0000000        
G   1
  1      1.6478000              1.0000000        
G   1
  1      0.5645000              1.0000000        
H   1
  1      3.6783000              1.0000000        
H   1
  1      1.3165000              1.0000000        


name: cc-pwCVQZ-NR
description: QZ3P All-electron non-relativistic Core-Valence Quadruple Zeta + Polarization
elt: Cr
data:
CHROMIUM
S   21
  1 11016640.0000000            2.002522E-06     
  2 1649423.0000000             1.557145E-05     
  3 375358.9000000              8.192146E-05     
  4 106323.6000000              0.0003460132     
  5  34689.7600000              0.001260141      
  6  12524.8300000              0.004099273      
  7   4885.7520000              0.01213424       
  8   2026.9180000              0.03271636       
  9    884.3645000              0.07912296       
 10    402.3170000              0.1638397        
 11    189.5271000              0.2655107        
 12     91.8609500              0.2789671        
 13     45.1247600              0.1444466        
 14     20.6251200              0.06941606       
 15     10.3197300              0.1195153        
 16      5.1577230              0.08084582       
 17      2.3126280              0.009975024      
 18      1.1030790             -0.000286577      
 19      0.4980420              0.0001176051     
 20      0.1182470             -2.164013E-05     
 21      0.0573560              5.032702E-05     
S   21
  1 11016640.0000000           -1.118844E-06     
  2 1649423.0000000            -8.70279E-06      
  3 375358.9000000             -4.576974E-05     
  4 106323.6000000             -0.0001934803     
  5  34689.7600000             -0.0007046922     
  6  12524.8300000             -0.002299139      
  7   4885.7520000             -0.006833193      
  8   2026.9180000             -0.01866493       
  9    884.3645000             -0.04624835       
 10    402.3170000             -0.1013820        
 11    189.5271000             -0.1839390        
 12     91.8609500             -0.2469356        
 13     45.1247600             -0.1597390        
 14     20.6251200              0.1940936        
 15     10.3197300              0.5461479        
 16      5.1577230              0.3610571        
 17      2.3126280              0.04658647       
 18      1.1030790             -0.003493969      
 19      0.4980420              0.0002600074     
 20      0.1182470             -0.00024401       
 21      0.0573560              0.0003266435     
S   21
  1 11016640.0000000            2.358227E-07     
  2 1649423.0000000             1.83614E-06      
  3 375358.9000000              9.643686E-06     
  4 106323.6000000              4.085166E-05     
  5  34689.7600000              0.0001485404     
  6  12524.8300000              0.0004868639     
  7   4885.7520000              0.001448156      
  8   2026.9180000              0.004010503      
  9    884.3645000              0.01009579       
 10    402.3170000              0.02321493       
 11    189.5271000              0.04524056       
 12     91.8609500              0.07025001       
 13     45.1247600              0.05032135       
 14     20.6251200             -0.09350992       
 15     10.3197300             -0.3650249        
 16      5.1577230             -0.3530889        
 17      2.3126280              0.2829720        
 18      1.1030790              0.7001955        
 19      0.4980420              0.3067473        
 20      0.1182470              0.01083139       
 21      0.0573560             -0.001458427      
S   21
  1 11016640.0000000           -5.343793E-08     
  2 1649423.0000000            -4.166295E-07     
  3 375358.9000000             -2.183977E-06     
  4 106323.6000000             -9.275174E-06     
  5  34689.7600000             -3.361788E-05     
  6  12524.8300000             -0.0001106225     
  7   4885.7520000             -0.0003275214     
  8   2026.9180000             -0.0009122671     
  9    884.3645000             -0.002281936      
 10    402.3170000             -0.005294506      
 11    189.5271000             -0.01022548       
 12     91.8609500             -0.01618464       
 13     45.1247600             -0.01124211       
 14     20.6251200              0.02096236       
 15     10.3197300              0.09050667       
 16      5.1577230              0.08642079       
 17      2.3126280             -0.0785363        
 18      1.1030790             -0.2526007        
 19      0.4980420             -0.2133579        
 20      0.1182470              0.3577908        
 21      0.0573560              0.5691145        
S   21
  1 11016640.0000000           -1.038573E-07     
  2 1649423.0000000            -8.291687E-07     
  3 375358.9000000             -4.198902E-06     
  4 106323.6000000             -1.865777E-05     
  5  34689.7600000             -6.386131E-05     
  6  12524.8300000             -0.0002252576     
  7   4885.7520000             -0.0006131653     
  8   2026.9180000             -0.001886356      
  9    884.3645000             -0.004185316      
 10    402.3170000             -0.01123172       
 11    189.5271000             -0.01791544       
 12     91.8609500             -0.03714198       
 13     45.1247600             -0.01126485       
 14     20.6251200              0.01522975       
 15     10.3197300              0.2458640        
 16      5.1577230              0.07882802       
 17      2.3126280             -0.01862956       
 18      1.1030790             -1.0962620        
 19      0.4980420              0.5510966        
 20      0.1182470              1.8947270        
 21      0.0573560             -1.3157730        
S   21
  1 11016640.0000000           -1.671645E-07     
  2 1649423.0000000            -1.331951E-06     
  3 375358.9000000             -6.764614E-06     
  4 106323.6000000             -2.994507E-05     
  5  34689.7600000             -0.000102993      
  6  12524.8300000             -0.0003611865     
  7   4885.7520000             -0.0009903414     
  8   2026.9180000             -0.003022002      
  9    884.3645000             -0.006778242      
 10    402.3170000             -0.01798719       
 11    189.5271000             -0.02926094       
 12     91.8609500             -0.05950832       
 13     45.1247600             -0.02030054       
 14     20.6251200              0.02995049       
 15     10.3197300              0.4202560        
 16      5.1577230              0.1844826        
 17      2.3126280             -0.4526654        
 18      1.1030790             -1.8921570        
 19      0.4980420              2.8485940        
 20      0.1182470             -1.1247750        
 21      0.0573560             -0.9810669        
S   21
  1 11016640.0000000           -2.018526E-07     
  2 1649423.0000000            -1.476099E-06     
  3 375358.9000000             -8.479016E-06     
  4 106323.6000000             -3.186673E-05     
  5  34689.7600000             -0.0001344019     
  6  12524.8300000             -0.0003665342     
  7   4885.7520000             -0.001355222      
  8   2026.9180000             -0.002884635      
  9    884.3645000             -0.009908511      
 10    402.3170000             -0.01547488       
 11    189.5271000             -0.04925232       
 12     91.8609500             -0.03533906       
 13     45.1247600             -0.09963499       
 14     20.6251200              0.2140183        
 15     10.3197300              0.2137561        
 16      5.1577230              0.8609798        
 17      2.3126280             -2.9258430        
 18      1.1030790              1.9665580        
 19      0.4980420              0.7515651        
 20      0.1182470             -4.1073970        
 21      0.0573560              5.7017810        
S   1
  1      0.0257600              1.0000000        
S   1
  1      4.7691000              1.0000000        
S   1
  1      1.4152000              1.0000000        
P   17
  1  31539.8900000              0.0000110        
  2   7460.2340000              0.0001000        
  3   2422.6220000              0.0005870        
  4    927.7547000              0.0026670        
  5    394.8041000              0.0099910        
  6    180.8027000              0.0314930        
  7     87.4239300              0.0832660        
  8     44.0342700              0.1773280        
  9     22.7770400              0.2892300        
 10     12.0154700              0.3296730        
 11      6.4117510              0.2108870        
 12      3.3811360              0.0551740        
 13      1.7470540              0.0022300        
 14      0.8850040             -0.0012840        
 15      0.4330280             -0.0008540        
 16      0.1734150             -0.0000460        
 17      0.0726080             -0.0000120        
P   17
  1  31539.8900000             -0.0000040        
  2   7460.2340000             -0.0000350        
  3   2422.6220000             -0.0002030        
  4    927.7547000             -0.0009260        
  5    394.8041000             -0.0034870        
  6    180.8027000             -0.0111410        
  7     87.4239300             -0.0301280        
  8     44.0342700             -0.0664840        
  9     22.7770400             -0.1128540        
 10     12.0154700             -0.1367850        
 11      6.4117510             -0.0500570        
 12      3.3811360              0.1884690        
 13      1.7470540              0.4004550        
 14      0.8850040              0.3843320        
 15      0.4330280              0.1695200        
 16      0.1734150              0.0182570        
 17      0.0726080             -0.0007430        
P   17
  1  31539.8900000              0.0000010        
  2   7460.2340000              0.0000080        
  3   2422.6220000              0.0000480        
  4    927.7547000              0.0002180        
  5    394.8041000              0.0008270        
  6    180.8027000              0.0026260        
  7     87.4239300              0.0071720        
  8     44.0342700              0.0157380        
  9     22.7770400              0.0271540        
 10     12.0154700              0.0326310        
 11      6.4117510              0.0114930        
 12      3.3811360             -0.0560770        
 13      1.7470540             -0.1142520        
 14      0.8850040             -0.1337370        
 15      0.4330280              0.0034730        
 16      0.1734150              0.3451660        
 17      0.0726080              0.5418440        
P   17
  1  31539.8900000              0.0000010        
  2   7460.2340000              0.0000100        
  3   2422.6220000              0.0000610        
  4    927.7547000              0.0002770        
  5    394.8041000              0.0010410        
  6    180.8027000              0.0033380        
  7     87.4239300              0.0090130        
  8     44.0342700              0.0200130        
  9     22.7770400              0.0340000        
 10     12.0154700              0.0419930        
 11      6.4117510              0.0138040        
 12      3.3811360             -0.0662750        
 13      1.7470540             -0.1461070        
 14      0.8850040             -0.1694750        
 15      0.4330280             -0.0285870        
 16      0.1734150              0.5663070        
 17      0.0726080              0.5156880        
P   17
  1  31539.8900000              0.0000030        
  2   7460.2340000              0.0000210        
  3   2422.6220000              0.0001340        
  4    927.7547000              0.0005590        
  5    394.8041000              0.0022970        
  6    180.8027000              0.0067270        
  7     87.4239300              0.0199900        
  8     44.0342700              0.0397890        
  9     22.7770400              0.0784260        
 10     12.0154700              0.0798820        
 11      6.4117510              0.0609720        
 12      3.3811360             -0.2226880        
 13      1.7470540             -0.3668130        
 14      0.8850040             -0.4471090        
 15      0.4330280              1.1518010        
 16      0.1734150              0.4413050        
 17      0.0726080             -0.9140660        
P   17
  1  31539.8900000             -0.0000030        
  2   7460.2340000             -0.0000310        
  3   2422.6220000             -0.0001500        
  4    927.7547000             -0.0008150        
  5    394.8041000             -0.0025830        
  6    180.8027000             -0.0098130        
  7     87.4239300             -0.0221160        
  8     44.0342700             -0.0602960        
  9     22.7770400             -0.0781870        
 10     12.0154700             -0.1674430        
 11      6.4117510             -0.0135230        
 12      3.3811360              0.3066960        
 13      1.7470540              1.0907830        
 14      0.8850040             -1.2345450        
 15      0.4330280             -0.9015550        
 16      0.1734150              2.0482660        
 17      0.0726080             -1.1039840        
P   1
  1      0.0299150              1.0000000        
P   1
  1      6.4335000              1.0000000        
P   1
  1      1.6473000              1.0000000        
D   10
  1    268.0400000              0.0003600        
  2     80.2223000              0.0032360        
  3     30.8950000              0.0161530        
  4     13.2481000              0.0534180        
  5      6.0407700              0.1335240        
  6      2.8615900              0.2386370        
  7      1.3554500              0.3094550        
  8      0.6282480              0.3056910        
  9      0.2806230              0.2182890        
 10      0.1186680              0.0896930        
D   10
  1    268.0400000             -0.0004070        
  2     80.2223000             -0.0036770        
  3     30.8950000             -0.0184220        
  4     13.2481000             -0.0620500        
  5      6.0407700             -0.1589460        
  6      2.8615900             -0.2629000        
  7      1.3554500             -0.2438830        
  8      0.6282480              0.0377400        
  9      0.2806230              0.4270640        
 10      0.1186680              0.4428120        
D   10
  1    268.0400000             -0.0005820        
  2     80.2223000             -0.0052760        
  3     30.8950000             -0.0267230        
  4     13.2481000             -0.0920120        
  5      6.0407700             -0.2423410        
  6      2.8615900             -0.3383560        
  7      1.3554500             -0.0138860        
  8      0.6282480              0.6731700        
  9      0.2806230              0.2610890        
 10      0.1186680             -0.6613960        
D   10
  1    268.0400000              0.0008280        
  2     80.2223000              0.0080720        
  3     30.8950000              0.0389600        
  4     13.2481000              0.1497060        
  5      6.0407700              0.3879330        
  6      2.8615900              0.2970340        
  7      1.3554500             -0.8758060        
  8      0.6282480             -0.2958520        
  9      0.2806230              1.2044240        
 10      0.1186680             -0.5298930        
D   1
  1      0.0459310              1.0000000        
D   1
  1      4.0802000              1.0000000        
D   1
  1      2.1475000              1.0000000        
F   1
  1      5.6893000              1.0000000        
F   1
  1      2.3514000              1.0000000        
F   1
  1      0.9718000              1.0000000        
F   1
  1      0.3175000              1.0000000        
G   1
  1      4.6814000              1.0000000        
G   1
  1      1.9685000              1.0000000        
G   1
  1      0.6951000              1.0000000        
H   1
  1      4.4461000              1.0000000        
H   1
  1      1.6775000              1.0000000        


name: cc-pwCVQZ-NR
description: QZ3P All-electron non-relativistic Core-Valence Quadruple Zeta + Polarization
elt: Mn
data:
MANGANESE
S   21
  1 12210500.0000000            2.018537E-06     
  2 1828157.0000000             1.569638E-05     
  3 416030.3000000              8.257853E-05     
  4 117843.6000000              0.0003488107     
  5  38448.1400000              0.001270414      
  6  13881.7100000              0.004133905      
  7   5415.0020000              0.01224366       
  8   2246.4600000              0.0330604        
  9    980.1463000              0.08019877       
 10    445.8952000              0.1671550        
 11    210.0558000              0.2743977        
 12    101.8046000              0.2963690        
 13     50.0112600              0.1592852        
 14     22.9393900              0.05681818       
 15     11.5226400              0.0827899        
 16      5.7763380              0.05840628       
 17      2.6259590              0.007343047      
 18      1.2603220             -0.0002934793     
 19      0.5771300             -4.562245E-05     
 20      0.1365820             -9.934988E-06     
 21      0.0635350              2.391143E-05     
S   21
  1 12210500.0000000           -9.633574E-07     
  2 1828157.0000000            -7.493672E-06     
  3 416030.3000000             -3.941004E-05     
  4 117843.6000000             -0.0001666155     
  5  38448.1400000             -0.0006069041     
  6  13881.7100000             -0.001981108      
  7   5415.0020000             -0.005893486      
  8   2246.4600000             -0.01613849       
  9    980.1463000             -0.04018929       
 10    445.8952000             -0.08903423       
 11    210.0558000             -0.1646993        
 12    101.8046000             -0.2288840        
 13     50.0112600             -0.1560684        
 14     22.9393900              0.1882585        
 15     11.5226400              0.5512725        
 16      5.7763380              0.3755111        
 17      2.6259590              0.05061607       
 18      1.2603220             -0.004926193      
 19      0.5771300             -0.0006126838     
 20      0.1365820             -0.0002821975     
 21      0.0635350              0.0003009192     
S   21
  1 12210500.0000000            2.316977E-07     
  2 1828157.0000000             1.803633E-06     
  3 416030.3000000              9.476176E-06     
  4 117843.6000000              4.012553E-05     
  5  38448.1400000              0.000145987      
  6  13881.7100000              0.0004782368     
  7   5415.0020000              0.001424063      
  8   2246.4600000              0.003942807      
  9    980.1463000              0.009952411      
 10    445.8952000              0.0229242        
 11    210.0558000              0.04501638       
 12    101.8046000              0.07048742       
 13     50.0112600              0.05291064       
 14     22.9393900             -0.08983951       
 15     11.5226400             -0.3626155        
 16      5.7763380             -0.3621266        
 17      2.6259590              0.2656979        
 18      1.2603220              0.6892091        
 19      0.5771300              0.3337072        
 20      0.1365820              0.01594677       
 21      0.0635350             -0.004614546      
S   21
  1 12210500.0000000           -5.127786E-08     
  2 1828157.0000000            -3.991995E-07     
  3 416030.3000000             -2.097137E-06     
  4 117843.6000000             -8.881375E-06     
  5  38448.1400000             -3.230705E-05     
  6  13881.7100000             -0.0001058611     
  7   5415.0020000             -0.0003151614     
  8   2246.4600000             -0.0008730066     
  9    980.1463000             -0.002203528      
 10    445.8952000             -0.005081761      
 11    210.0558000             -0.009988834      
 12    101.8046000             -0.01570961       
 13     50.0112600             -0.01183955       
 14     22.9393900              0.02031039       
 15     11.5226400              0.08593055       
 16      5.7763380              0.08897427       
 17      2.6259590             -0.07678891       
 18      1.2603220             -0.2261750        
 19      0.5771300             -0.2271869        
 20      0.1365820              0.3003127        
 21      0.0635350              0.5953419        
S   21
  1 12210500.0000000           -1.017421E-07     
  2 1828157.0000000            -8.110718E-07     
  3 416030.3000000             -4.116344E-06     
  4 117843.6000000             -1.823899E-05     
  5  38448.1400000             -6.265924E-05     
  6  13881.7100000             -0.0002200741     
  7   5415.0020000             -0.0006024678     
  8   2246.4600000             -0.0018430        
  9    980.1463000             -0.004127938      
 10    445.8952000             -0.01100471       
 11    210.0558000             -0.0179012        
 12    101.8046000             -0.03676227       
 13     50.0112600             -0.01301427       
 14     22.9393900              0.01478153       
 15     11.5226400              0.2391713        
 16      5.7763380              0.08964957       
 17      2.6259590             -0.01299627       
 18      1.2603220             -1.0513300        
 19      0.5771300              0.4478536        
 20      0.1365820              1.8048060        
 21      0.0635350             -1.0710260        
S   21
  1 12210500.0000000           -1.64232E-07      
  2 1828157.0000000            -1.314241E-06     
  3 416030.3000000             -6.63284E-06      
  4 117843.6000000             -2.96042E-05      
  5  38448.1400000             -0.0001007673     
  6  13881.7100000             -0.0003579039     
  7   5415.0020000             -0.0009666897     
  8   2246.4600000             -0.003005179      
  9    980.1463000             -0.006605816      
 10    445.8952000             -0.0180382        
 11    210.0558000             -0.02853084       
 12    101.8046000             -0.06124413       
 13     50.0112600             -0.01893791       
 14     22.9393900              0.01888653       
 15     11.5226400              0.4329357        
 16      5.7763380              0.1661622        
 17      2.6259590             -0.3401427        
 18      1.2603220             -2.0393200        
 19      0.5771300              2.7946610        
 20      0.1365820             -0.7303582        
 21      0.0635350             -1.4080030        
S   21
  1 12210500.0000000           -2.001522E-07     
  2 1828157.0000000            -1.478765E-06     
  3 416030.3000000             -8.372432E-06     
  4 117843.6000000             -3.208892E-05     
  5  38448.1400000             -0.0001321413     
  6  13881.7100000             -0.0003714493     
  7   5415.0020000             -0.001326456      
  8   2246.4600000             -0.002951265      
  9    980.1463000             -0.009655762      
 10    445.8952000             -0.01616919       
 11    210.0558000             -0.04776647       
 12    101.8046000             -0.04049212       
 13     50.0112600             -0.09389925       
 14     22.9393900              0.1920182        
 15     11.5226400              0.2440487        
 16      5.7763380              0.8589060        
 17      2.6259590             -2.7931450        
 18      1.2603220              1.5640690        
 19      0.5771300              1.1184620        
 20      0.1365820             -4.0546640        
 21      0.0635350              5.4620540        
S   1
  1      0.0285210              1.0000000        
S   1
  1      5.2819000              1.0000000        
S   1
  1      1.5406000              1.0000000        
P   17
  1  35005.1200000              0.0000110        
  2   8279.4620000              0.0000980        
  3   2688.4650000              0.0005720        
  4   1029.4900000              0.0026040        
  5    438.0708000              0.0097790        
  6    200.6153000              0.0309380        
  7     97.0076900              0.0821940        
  8     48.8705200              0.1761490        
  9     25.2928100              0.2891330        
 10     13.3538200              0.3309560        
 11      7.1317860              0.2122180        
 12      3.7643650              0.0552270        
 13      1.9462650              0.0012070        
 14      0.9854550             -0.0023550        
 15      0.4818650             -0.0013200        
 16      0.1892120             -0.0000940        
 17      0.0779800             -0.0000070        
P   17
  1  35005.1200000             -0.0000040        
  2   8279.4620000             -0.0000340        
  3   2688.4650000             -0.0001990        
  4   1029.4900000             -0.0009070        
  5    438.0708000             -0.0034250        
  6    200.6153000             -0.0109850        
  7     97.0076900             -0.0298560        
  8     48.8705200             -0.0663660        
  9     25.2928100             -0.1135040        
 10     13.3538200             -0.1379910        
 11      7.1317860             -0.0493550        
 12      3.7643650              0.1912420        
 13      1.9462650              0.4023550        
 14      0.9854550              0.3821160        
 15      0.4818650              0.1681990        
 16      0.1892120              0.0179050        
 17      0.0779800             -0.0009580        
P   17
  1  35005.1200000             -0.0000010        
  2   8279.4620000             -0.0000080        
  3   2688.4650000             -0.0000460        
  4   1029.4900000             -0.0002080        
  5    438.0708000             -0.0007920        
  6    200.6153000             -0.0025220        
  7     97.0076900             -0.0069280        
  8     48.8705200             -0.0152920        
  9     25.2928100             -0.0266110        
 10     13.3538200             -0.0319780        
 11      7.1317860             -0.0112220        
 12      3.7643650              0.0549880        
 13      1.9462650              0.1104650        
 14      0.9854550              0.1281620        
 15      0.4818650             -0.0029800        
 16      0.1892120             -0.3368240        
 17      0.0779800             -0.5424410        
P   17
  1  35005.1200000              0.0000010        
  2   8279.4620000              0.0000100        
  3   2688.4650000              0.0000610        
  4   1029.4900000              0.0002780        
  5    438.0708000              0.0010520        
  6    200.6153000              0.0033660        
  7     97.0076900              0.0091930        
  8     48.8705200              0.0204040        
  9     25.2928100              0.0352770        
 10     13.3538200              0.0429860        
 11      7.1317860              0.0147830        
 12      3.7643650             -0.0708510        
 13      1.9462650             -0.1488630        
 14      0.9854550             -0.1726610        
 15      0.4818650             -0.0048570        
 16      0.1892120              0.5718810        
 17      0.0779800              0.5013280        
P   17
  1  35005.1200000              0.0000030        
  2   8279.4620000              0.0000210        
  3   2688.4650000              0.0001380        
  4   1029.4900000              0.0005680        
  5    438.0708000              0.0023680        
  6    200.6153000              0.0068870        
  7     97.0076900              0.0208050        
  8     48.8705200              0.0412070        
  9     25.2928100              0.0829490        
 10     13.3538200              0.0823300        
 11      7.1317860              0.0676490        
 12      3.7643650             -0.2505870        
 13      1.9462650             -0.3787840        
 14      0.9854550             -0.3965170        
 15      0.4818650              1.1501120        
 16      0.1892120              0.3830850        
 17      0.0779800             -0.8923280        
P   17
  1  35005.1200000             -0.0000030        
  2   8279.4620000             -0.0000320        
  3   2688.4650000             -0.0001650        
  4   1029.4900000             -0.0008520        
  5    438.0708000             -0.0028640        
  6    200.6153000             -0.0103380        
  7     97.0076900             -0.0249200        
  8     48.8705200             -0.0639080        
  9     25.2928100             -0.0917040        
 10     13.3538200             -0.1688330        
 11      7.1317860             -0.0457170        
 12      3.7643650              0.4475430        
 13      1.9462650              1.0445440        
 14      0.9854550             -1.4857210        
 15      0.4818650             -0.5306040        
 16      0.1892120              1.8217180        
 17      0.0779800             -1.0684500        
P   1
  1      0.0316850              1.0000000        
P   1
  1      7.3332000              1.0000000        
P   1
  1      1.9317000              1.0000000        
D   10
  1    301.4270000              0.0003610        
  2     90.3288000              0.0032590        
  3     34.8337000              0.0164190        
  4     14.9770000              0.0547600        
  5      6.8498300              0.1367270        
  6      3.2521700              0.2424190        
  7      1.5430900              0.3103760        
  8      0.7156410              0.3021700        
  9      0.3193230              0.2135730        
 10      0.1344280              0.0890940        
D   10
  1    301.4270000             -0.0003670        
  2     90.3288000             -0.0033310        
  3     34.8337000             -0.0168130        
  4     14.9770000             -0.0569290        
  5      6.8498300             -0.1457700        
  6      3.2521700             -0.2466730        
  7      1.5430900             -0.2342270        
  8      0.7156410              0.0233200        
  9      0.3193230              0.3875770        
 10      0.1344280              0.4676950        
D   10
  1    301.4270000             -0.0005810        
  2     90.3288000             -0.0053040        
  3     34.8337000             -0.0270190        
  4     14.9770000             -0.0940670        
  5      6.8498300             -0.2469380        
  6      3.2521700             -0.3420510        
  7      1.5430900             -0.0146210        
  8      0.7156410              0.6120700        
  9      0.3193230              0.3201120        
 10      0.1344280             -0.5609790        
D   10
  1    301.4270000             -0.0007460        
  2     90.3288000             -0.0068580        
  3     34.8337000             -0.0350360        
  4     14.9770000             -0.1265920        
  5      6.8498300             -0.3598640        
  6      3.2521700             -0.3065310        
  7      1.5430900              0.7526320        
  8      0.7156410              0.4176590        
  9      0.3193230             -1.0728320        
 10      0.1344280              0.2000430        
D   1
  1      0.0515700              1.0000000        
D   1
  1      4.6932000              1.0000000        
D   1
  1      2.4395000              1.0000000        
F   1
  1      6.6965000              1.0000000        
F   1
  1      2.7910000              1.0000000        
F   1
  1      1.1632000              1.0000000        
F   1
  1      0.3863000              1.0000000        
G   1
  1      5.4808000              1.0000000        
G   1
  1      2.3504000              1.0000000        
G   1
  1      0.8651000              1.0000000        
H   1
  1      5.1515000              1.0000000        
H   1
  1      2.0003000              1.0000000        


name: cc-pwCVQZ-NR
description: QZ3P All-electron non-relativistic Core-Valence Quadruple Zeta + Polarization
elt: Fe
data:
IRON
S   21
  1      0.1327714E+08          1.976511E-06     
  2 1987888.0000000             1.536912E-05     
  3 452387.1000000              8.085571E-05     
  4 128143.7000000              0.0003415253     
  5  41809.1700000              0.001243883      
  6  15095.3300000              0.004047547      
  7   5888.4380000              0.01198848       
  8   2442.8760000              0.03237358       
  9   1065.8570000              0.07854828       
 10    484.9096000              0.1637396        
 11    228.4585000              0.2687335        
 12    110.7453000              0.2896317        
 13     54.4311600              0.1554235        
 14     25.0109600              0.06284331       
 15     12.5926200              0.09927972       
 16      6.3232020              0.06931444       
 17      2.8833840              0.008885666      
 18      1.3828680             -0.00027762       
 19      0.6322010              1.27159E-06      
 20      0.1492380             -1.537759E-05     
 21      0.0684940              2.552339E-05     
S   21
  1      0.1327714E+08         -1.020185E-06     
  2 1987888.0000000            -7.935347E-06     
  3 452387.1000000             -4.173309E-05     
  4 128143.7000000             -0.0001764249     
  5  41809.1700000             -0.0006426379     
  6  15095.3300000             -0.00209744       
  7   5888.4380000             -0.00623875       
  8   2442.8760000             -0.01707492       
  9   1065.8570000             -0.0424857        
 10    484.9096000             -0.09392294       
 11    228.4585000             -0.1730554        
 12    110.7453000             -0.2386626        
 13     54.4311600             -0.1623971        
 14     25.0109600              0.1869345        
 15     12.5926200              0.5495686        
 16      6.3232020              0.3723118        
 17      2.8833840              0.05057065       
 18      1.3828680             -0.004072645      
 19      0.6322010             -0.0002732199     
 20      0.1492380             -0.0002612296     
 21      0.0684940              0.0002547393     
S   21
  1      0.1327714E+08          2.340322E-07     
  2 1987888.0000000             1.821727E-06     
  3 452387.1000000              9.571315E-06     
  4 128143.7000000              4.052652E-05     
  5  41809.1700000              0.0001474531     
  6  15095.3300000              0.0004830333     
  7   5888.4380000              0.001438609      
  8   2442.8760000              0.003983915      
  9   1065.8570000              0.01006355       
 10    484.9096000              0.0232061        
 11    228.4585000              0.0456678        
 12    110.7453000              0.07169322       
 13     54.4311600              0.05421018       
 14     25.0109600             -0.09163776       
 15     12.5926200             -0.3693219        
 16      6.3232020             -0.3616033        
 17      2.8833840              0.2734191        
 18      1.3828680              0.6889090        
 19      0.6322010              0.3294179        
 20      0.1492380              0.01558687       
 21      0.0684940             -0.004161049      
S   21
  1      0.1327714E+08         -5.062297E-08     
  2 1987888.0000000            -3.940586E-07     
  3 452387.1000000             -2.07034E-06      
  4 128143.7000000             -8.766406E-06     
  5  41809.1700000             -3.189537E-05     
  6  15095.3300000             -0.0001044911     
  7   5888.4380000             -0.0003112113     
  8   2442.8760000             -0.0008620181     
  9   1065.8570000             -0.002178129      
 10    484.9096000             -0.00502697       
 11    228.4585000             -0.009908113      
 12    110.7453000             -0.01561357       
 13     54.4311600             -0.01187731       
 14     25.0109600              0.02031246       
 15     12.5926200              0.08560291       
 16      6.3232020              0.08702717       
 17      2.8833840             -0.07758197       
 18      1.3828680             -0.2214919        
 19      0.6322010             -0.2196263        
 20      0.1492380              0.2869893        
 21      0.0684940              0.5927434        
S   21
  1      0.1327714E+08         -9.957952E-08     
  2 1987888.0000000            -7.925506E-07     
  3 452387.1000000             -4.031635E-06     
  4 128143.7000000             -1.780938E-05     
  5  41809.1700000             -6.14201E-05      
  6  15095.3300000             -0.00021473       
  7   5888.4380000             -0.0005912544     
  8   2442.8760000             -0.001797193      
  9   1065.8570000             -0.004061089      
 10    484.9096000             -0.01073419       
 11    228.4585000             -0.01773464       
 12    110.7453000             -0.03586338       
 13     54.4311600             -0.01374002       
 14     25.0109600              0.01645324       
 15     12.5926200              0.2322749        
 16      6.3232020              0.09256802       
 17      2.8833840             -0.03322957       
 18      1.3828680             -0.9860290        
 19      0.6322010              0.4046445        
 20      0.1492380              1.6888890        
 21      0.0684940             -0.8479093        
S   21
  1      0.1327714E+08         -1.678013E-07     
  2 1987888.0000000            -1.337004E-06     
  3 452387.1000000             -6.790249E-06     
  4 128143.7000000             -3.005871E-05     
  5  41809.1700000             -0.0001033899     
  6  15095.3300000             -0.0003626365     
  7   5888.4380000             -0.0009947359     
  8   2442.8760000             -0.003038134      
  9   1065.8570000             -0.006831095      
 10    484.9096000             -0.01819172       
 11    228.4585000             -0.02987575       
 12    110.7453000             -0.06129076       
 13     54.4311600             -0.02302594       
 14     25.0109600              0.02701671       
 15     12.5926200              0.4229967        
 16      6.3232020              0.2153088        
 17      2.8833840             -0.4343164        
 18      1.3828680             -1.9503480        
 19      0.6322010              2.7202330        
 20      0.1492380             -0.6123241        
 21      0.0684940             -1.4683290        
S   21
  1      0.1327714E+08         -1.97919E-07      
  2 1987888.0000000            -1.454458E-06     
  3 452387.1000000             -8.296892E-06     
  4 128143.7000000             -3.147678E-05     
  5  41809.1700000             -0.0001312505     
  6  15095.3300000             -0.0003631851     
  7   5888.4380000             -0.001321103      
  8   2442.8760000             -0.002874345      
  9   1065.8570000             -0.009655667      
 10    484.9096000             -0.01565078       
 11    228.4585000             -0.0481821        
 12    110.7453000             -0.03801945       
 13     54.4311600             -0.09789664       
 14     25.0109600              0.1990898        
 15     12.5926200              0.2020013        
 16      6.3232020              0.9776064        
 17      2.8833840             -3.0035790        
 18      1.3828680              1.8016620        
 19      0.6322010              0.9747971        
 20      0.1492380             -3.8975570        
 21      0.0684940              5.2279090        
S   1
  1      0.0303810              1.0000000        
S   1
  1      5.6613000              1.0000000        
S   1
  1      1.6068000              1.0000000        
P   17
  1  38282.0500000              0.0000110        
  2   9061.5560000              0.0000970        
  3   2944.4500000              0.0005660        
  4   1128.1580000              0.0025750        
  5    480.3380000              0.0096760        
  6    220.1368000              0.0306440        
  7    106.5482000              0.0815530        
  8     53.7426200              0.1752450        
  9     27.8631800              0.2884650        
 10     14.7438200              0.3307340        
 11      7.8933510              0.2127700        
 12      4.1794970              0.0562030        
 13      2.1656690              0.0018070        
 14      1.0972400             -0.0019990        
 15      0.5360850             -0.0011550        
 16      0.2023740             -0.0000790        
 17      0.0817420             -0.0000030        
P   17
  1  38282.0500000             -0.0000040        
  2   9061.5560000             -0.0000340        
  3   2944.4500000             -0.0001990        
  4   1128.1580000             -0.0009110        
  5    480.3380000             -0.0034370        
  6    220.1368000             -0.0110420        
  7    106.5482000             -0.0300610        
  8     53.7426200             -0.0670490        
  9     27.8631800             -0.1150700        
 10     14.7438200             -0.1399170        
 11      7.8933510             -0.0494800        
 12      4.1794970              0.1917090        
 13      2.1656690              0.4030120        
 14      1.0972400              0.3807170        
 15      0.5360850              0.1693050        
 16      0.2023740              0.0178720        
 17      0.0817420             -0.0014330        
P   17
  1  38282.0500000              0.0000010        
  2   9061.5560000              0.0000070        
  3   2944.4500000              0.0000440        
  4   1128.1580000              0.0001970        
  5    480.3380000              0.0007510        
  6    220.1368000              0.0023910        
  7    106.5482000              0.0065950        
  8     53.7426200              0.0145700        
  9     27.8631800              0.0255290        
 10     14.7438200              0.0304850        
 11      7.8933510              0.0108530        
 12      4.1794970             -0.0523850        
 13      2.1656690             -0.1032710        
 14      1.0972400             -0.1212410        
 15      0.5360850              0.0008400        
 16      0.2023740              0.3272880        
 17      0.0817420              0.5442260        
P   17
  1  38282.0500000              0.0000010        
  2   9061.5560000              0.0000110        
  3   2944.4500000              0.0000660        
  4   1128.1580000              0.0002950        
  5    480.3380000              0.0011340        
  6    220.1368000              0.0035850        
  7    106.5482000              0.0099500        
  8     53.7426200              0.0218100        
  9     27.8631800              0.0386610        
 10     14.7438200              0.0456280        
 11      7.8933510              0.0179580        
 12      4.1794970             -0.0815930        
 13      2.1656690             -0.1581940        
 14      1.0972400             -0.1890710        
 15      0.5360850              0.0446210        
 16      0.2023740              0.6116920        
 17      0.0817420              0.4461700        
P   17
  1  38282.0500000              0.0000030        
  2   9061.5560000              0.0000220        
  3   2944.4500000              0.0001470        
  4   1128.1580000              0.0005980        
  5    480.3380000              0.0025270        
  6    220.1368000              0.0072600        
  7    106.5482000              0.0223000        
  8     53.7426200              0.0435920        
  9     27.8631800              0.0898240        
 10     14.7438200              0.0863280        
 11      7.8933510              0.0797000        
 12      4.1794970             -0.2943090        
 13      2.1656690             -0.4046430        
 14      1.0972400             -0.3242020        
 15      0.5360850              1.1898370        
 16      0.2023740              0.2280980        
 17      0.0817420             -0.8474340        
P   17
  1  38282.0500000             -0.0000030        
  2   9061.5560000             -0.0000330        
  3   2944.4500000             -0.0001780        
  4   1128.1580000             -0.0008800        
  5    480.3380000             -0.0030750        
  6    220.1368000             -0.0107140        
  7    106.5482000             -0.0269530        
  8     53.7426200             -0.0662790        
  9     27.8631800             -0.1011440        
 10     14.7438200             -0.1704670        
 11      7.8933510             -0.0837750        
 12      4.1794970              0.6056490        
 13      2.1656690              0.9572390        
 14      1.0972400             -1.7348360        
 15      0.5360850             -0.0978650        
 16      0.2023740              1.5748130        
 17      0.0817420             -1.0818170        
P   1
  1      0.0326620              1.0000000        
P   1
  1      8.3381000              1.0000000        
P   1
  1      2.2565000              1.0000000        
D   10
  1    338.5060000              0.0003560        
  2    101.4920000              0.0032290        
  3     39.1867000              0.0164140        
  4     16.9034000              0.0551330        
  5      7.7629600              0.1375020        
  6      3.6988700              0.2425950        
  7      1.7596300              0.3085230        
  8      0.8166510              0.2998140        
  9      0.3638210              0.2150480        
 10      0.1525410              0.0925770        
D   10
  1    338.5060000             -0.0003910        
  2    101.4920000             -0.0035760        
  3     39.1867000             -0.0181910        
  4     16.9034000             -0.0620900        
  5      7.7629600             -0.1592870        
  6      3.6988700             -0.2697760        
  7      1.7596300             -0.2389970        
  8      0.8166510              0.0619850        
  9      0.3638210              0.4136570        
 10      0.1525410              0.4348780        
D   10
  1    338.5060000             -0.0005650        
  2    101.4920000             -0.0051850        
  3     39.1867000             -0.0266110        
  4     16.9034000             -0.0930790        
  5      7.7629600             -0.2482970        
  6      3.6988700             -0.3498230        
  7      1.7596300              0.0369220        
  8      0.8166510              0.6494720        
  9      0.3638210              0.2342380        
 10      0.1525410             -0.6097450        
D   10
  1    338.5060000             -0.0008160        
  2    101.4920000             -0.0071240        
  3     39.1867000             -0.0385600        
  4     16.9034000             -0.1335670        
  5      7.7629600             -0.4152110        
  6      3.6988700             -0.2793690        
  7      1.7596300              0.9276650        
  8      0.8166510              0.1855890        
  9      0.3638210             -1.0796160        
 10      0.1525410              0.4197090        
D   1
  1      0.0579910              1.0000000        
D   1
  1      5.5048000              1.0000000        
D   1
  1      2.9128000              1.0000000        
F   1
  1      7.8340000              1.0000000        
F   1
  1      3.2859000              1.0000000        
F   1
  1      1.3782000              1.0000000        
F   1
  1      0.4624000              1.0000000        
G   1
  1      6.3980000              1.0000000        
G   1
  1      2.7936000              1.0000000        
G   1
  1      1.0668000              1.0000000        
H   1
  1      5.9288000              1.0000000        
H   1
  1      2.3842000              1.0000000        


name: cc-pwCVQZ-NR
description: QZ3P All-electron non-relativistic Core-Valence Quadruple Zeta + Polarization
elt: Co
data:
COBALT
S   21
  1      0.1437022E+08          1.961579E-06     
  2 2151540.0000000             1.525308E-05     
  3 489625.7000000              8.024671E-05     
  4 138690.3000000              0.0003389582     
  5  45249.8900000              0.001234551      
  6  16337.6200000              0.004017237      
  7   6373.0730000              0.01189936       
  8   2643.9580000              0.03213721       
  9   1153.6140000              0.0779997        
 10    524.8606000              0.1626825        
 11    247.3069000              0.2671849        
 12    119.9063000              0.2881411        
 13     58.9642900              0.1548301        
 14     27.1361600              0.06451896       
 15     13.6891200              0.1030728        
 16      6.8827710              0.07137991       
 17      3.1446470              0.009131332      
 18      1.5062660             -0.0002919679     
 19      0.6872680             -5.581488E-06     
 20      0.1609720             -1.732351E-05     
 21      0.0730170              2.132347E-05     
S   21
  1      0.1437022E+08         -1.032046E-06     
  2 2151540.0000000            -8.027614E-06     
  3 489625.7000000             -4.22193E-05      
  4 138690.3000000             -0.0001784817     
  5  45249.8900000             -0.0006501411     
  6  16337.6200000             -0.002121909      
  7   6373.0730000             -0.006311755      
  8   2643.9580000             -0.01727558       
  9   1153.6140000             -0.04299353       
 10    524.8606000             -0.09507125       
 11    247.3069000             -0.1752212        
 12    119.9063000             -0.2416127        
 13     58.9642900             -0.1645933        
 14     27.1361600              0.1880060        
 15     13.6891200              0.5505157        
 16      6.8827710              0.3701682        
 17      3.1446470              0.05007243       
 18      1.5062660             -0.003975686      
 19      0.6872680             -0.0002896409     
 20      0.1609720             -0.0002552515     
 21      0.0730170              0.0002182807     
S   21
  1      0.1437022E+08          2.357772E-07     
  2 2151540.0000000             1.8353E-06       
  3 489625.7000000              9.642951E-06     
  4 138690.3000000              4.082978E-05     
  5  45249.8900000              0.000148563      
  6  16337.6200000              0.0004866688     
  7   6373.0730000              0.001449618      
  8   2643.9580000              0.004015116      
  9   1153.6140000              0.0101482        
 10    524.8606000              0.02342321       
 11    247.3069000              0.0461722        
 12    119.9063000              0.07262205       
 13     58.9642900              0.0551247        
 14     27.1361600             -0.09356803       
 15     13.6891200             -0.3752066        
 16      6.8827710             -0.3595010        
 17      3.1446470              0.2821187        
 18      1.5062660              0.6882851        
 19      0.6872680              0.3243680        
 20      0.1609720              0.01501498       
 21      0.0730170             -0.003906005      
S   21
  1      0.1437022E+08         -4.98388E-08      
  2 2151540.0000000            -3.879304E-07     
  3 489625.7000000             -2.038379E-06     
  4 138690.3000000             -8.630129E-06     
  5  45249.8900000             -3.140519E-05     
  6  16337.6200000             -0.0001028682     
  7   6373.0730000             -0.0003064776     
  8   2643.9580000             -0.0008488581     
  9   1153.6140000             -0.002146732      
 10    524.8606000             -0.004957499      
 11    247.3069000             -0.009792183      
 12    119.9063000             -0.01545065       
 13     58.9642900             -0.01181794       
 14     27.1361600              0.02031574       
 15     13.6891200              0.08494754       
 16      6.8827710              0.0845587        
 17      3.1446470             -0.07824438       
 18      1.5062660             -0.2161403        
 19      0.6872680             -0.2120657        
 20      0.1609720              0.2777048        
 21      0.0730170              0.5886342        
S   21
  1      0.1437022E+08         -9.633772E-08     
  2 2151540.0000000            -7.654083E-07     
  3 489625.7000000             -3.90364E-06      
  4 138690.3000000             -1.718665E-05     
  5  45249.8900000             -5.95264E-05      
  6  16337.6200000             -0.0002070482     
  7   6373.0730000             -0.0005737293     
  8   2643.9580000             -0.001731567      
  9   1153.6140000             -0.003950029      
 10    524.8606000             -0.01033969       
 11    247.3069000             -0.01736027       
 12    119.9063000             -0.03449074       
 13     58.9642900             -0.0142204        
 14     27.1361600              0.01816713       
 15     13.6891200              0.2219044        
 16      6.8827710              0.09496945       
 17      3.1446470             -0.0535677        
 18      1.5062660             -0.9071045        
 19      0.6872680              0.3491874        
 20      0.1609720              1.5866890        
 21      0.0730170             -0.6425986        
S   21
  1      0.1437022E+08         -1.73362E-07      
  2 2151540.0000000            -1.376434E-06     
  3 489625.7000000             -7.026909E-06     
  4 138690.3000000             -3.089757E-05     
  5  45249.8900000             -0.0001071929     
  6  16337.6200000             -0.0003721161     
  7   6373.0730000             -0.001033758      
  8   2643.9580000             -0.003111602      
  9   1153.6140000             -0.007127428      
 10    524.8606000             -0.01859372       
 11    247.3069000             -0.03148302       
 12    119.9063000             -0.06222078       
 13     58.9642900             -0.02684359       
 14     27.1361600              0.0349936        
 15     13.6891200              0.4220093        
 16      6.8827710              0.2573147        
 17      3.1446470             -0.5363089        
 18      1.5062660             -1.8561120        
 19      0.6872680              2.6514750        
 20      0.1609720             -0.5228775        
 21      0.0730170             -1.4830860        
S   21
  1      0.1437022E+08         -1.968109E-07     
  2 2151540.0000000            -1.439789E-06     
  3 489625.7000000             -8.265947E-06     
  4 138690.3000000             -3.108989E-05     
  5  45249.8900000             -0.0001310184     
  6  16337.6200000             -0.0003577366     
  7   6373.0730000             -0.001321726      
  8   2643.9580000             -0.00282163       
  9   1153.6140000             -0.009692646      
 10    524.8606000             -0.01528143       
 11    247.3069000             -0.04871094       
 12    119.9063000             -0.03611465       
 13     58.9642900             -0.1014559        
 14     27.1361600              0.2059185        
 15     13.6891200              0.1740209        
 16      6.8827710              1.0618960        
 17      3.1446470             -3.1875120        
 18      1.5062660              2.0527300        
 19      0.6872680              0.7962451        
 20      0.1609720             -3.7309490        
 21      0.0730170              5.0181100        
S   1
  1      0.0320710              1.0000000        
S   1
  1      6.0721000              1.0000000        
S   1
  1      1.6842000              1.0000000        
P   17
  1  41961.4000000              0.0000110        
  2   9928.3060000              0.0000950        
  3   3224.9710000              0.0005570        
  4   1235.2930000              0.0025380        
  5    525.8469000              0.0095540        
  6    240.9762000              0.0303350        
  7    116.6418000              0.0809840        
  8     58.8483400              0.1746920        
  9     30.5291000              0.2885440        
 10     16.1694300              0.3311360        
 11      8.6642360              0.2128970        
 12      4.5919430              0.0562950        
 13      2.3810480              0.0018950        
 14      1.2062460             -0.0019550        
 15      0.5888220             -0.0011260        
 16      0.2246580             -0.0000740        
 17      0.0904360             -0.0000030        
P   17
  1  41961.4000000             -0.0000040        
  2   9928.3060000             -0.0000340        
  3   3224.9710000             -0.0001980        
  4   1235.2930000             -0.0009060        
  5    525.8469000             -0.0034280        
  6    240.9762000             -0.0110390        
  7    116.6418000             -0.0301570        
  8     58.8483400             -0.0675490        
  9     30.5291000             -0.1164660        
 10     16.1694300             -0.1414410        
 11      8.6642360             -0.0487170        
 12      4.5919430              0.1946550        
 13      2.3810480              0.4041480        
 14      1.2062460              0.3789040        
 15      0.5888220              0.1673060        
 16      0.2246580              0.0177190        
 17      0.0904360             -0.0012520        
P   17
  1  41961.4000000              0.0000010        
  2   9928.3060000              0.0000070        
  3   3224.9710000              0.0000440        
  4   1235.2930000              0.0001990        
  5    525.8469000              0.0007600        
  6    240.9762000              0.0024250        
  7    116.6418000              0.0067060        
  8     58.8483400              0.0148900        
  9     30.5291000              0.0261810        
 10     16.1694300              0.0313100        
 11      8.6642360              0.0108480        
 12      4.5919430             -0.0538620        
 13      2.3810480             -0.1061120        
 14      1.2062460             -0.1217750        
 15      0.5888220              0.0038630        
 16      0.2246580              0.3271980        
 17      0.0904360              0.5419610        
P   17
  1  41961.4000000              0.0000010        
  2   9928.3060000              0.0000110        
  3   3224.9710000              0.0000690        
  4   1235.2930000              0.0003080        
  5    525.8469000              0.0011870        
  6    240.9762000              0.0037600        
  7    116.6418000              0.0104780        
  8     58.8483400              0.0230580        
  9     30.5291000              0.0410950        
 10     16.1694300              0.0485290        
 11      8.6642360              0.0188210        
 12      4.5919430             -0.0889830        
 13      2.3810480             -0.1710610        
 14      1.2062460             -0.1897640        
 15      0.5888220              0.0718740        
 16      0.2246580              0.6049170        
 17      0.0904360              0.4357830        
P   17
  1  41961.4000000              0.0000030        
  2   9928.3060000              0.0000230        
  3   3224.9710000              0.0001500        
  4   1235.2930000              0.0006200        
  5    525.8469000              0.0025920        
  6    240.9762000              0.0075710        
  7    116.6418000              0.0230010        
  8     58.8483400              0.0459430        
  9     30.5291000              0.0929370        
 10     16.1694300              0.0934070        
 11      8.6642360              0.0801520        
 12      4.5919430             -0.3177930        
 13      2.3810480             -0.4378130        
 14      1.2062460             -0.2329460        
 15      0.5888220              1.1648970        
 16      0.2246580              0.1731560        
 17      0.0904360             -0.8160710        
P   17
  1  41961.4000000             -0.0000040        
  2   9928.3060000             -0.0000330        
  3   3224.9710000             -0.0001850        
  4   1235.2930000             -0.0008870        
  5    525.8469000             -0.0032040        
  6    240.9762000             -0.0108490        
  7    116.6418000             -0.0283310        
  8     58.8483400             -0.0673690        
  9     30.5291000             -0.1083230        
 10     16.1694300             -0.1719860        
 11      8.6642360             -0.1084480        
 12      4.5919430              0.7416070        
 13      2.3810480              0.8082640        
 14      1.2062460             -1.7802720        
 15      0.5888220              0.0636530        
 16      0.2246580              1.4742420        
 17      0.0904360             -1.0385490        
P   1
  1      0.0358480              1.0000000        
P   1
  1      9.3655000              1.0000000        
P   1
  1      2.5688000              1.0000000        
D   10
  1    375.3200000              0.0003560        
  2    112.6040000              0.0032390        
  3     43.5190000              0.0165690        
  4     18.8147000              0.0559830        
  5      8.6649100              0.1394030        
  6      4.1371100              0.2443780        
  7      1.9708000              0.3081070        
  8      0.9150070              0.2972660        
  9      0.4073700              0.2136850        
 10      0.1704440              0.0934140        
D   10
  1    375.3200000             -0.0004110        
  2    112.6040000             -0.0037740        
  3     43.5190000             -0.0193160        
  4     18.8147000             -0.0664370        
  5      8.6649100             -0.1705420        
  6      4.1371100             -0.2854770        
  7      1.9708000             -0.2328840        
  8      0.9150070              0.0944710        
  9      0.4073700              0.4201780        
 10      0.1704440              0.4094740        
D   10
  1    375.3200000             -0.0005450        
  2    112.6040000             -0.0050280        
  3     43.5190000             -0.0259450        
  4     18.8147000             -0.0911040        
  5      8.6649100             -0.2453950        
  6      4.1371100             -0.3481600        
  7      1.9708000              0.0700830        
  8      0.9150070              0.6494450        
  9      0.4073700              0.1939420        
 10      0.1704440             -0.6184680        
D   10
  1    375.3200000             -0.0008270        
  2    112.6040000             -0.0070410        
  3     43.5190000             -0.0392680        
  4     18.8147000             -0.1333410        
  5      8.6649100             -0.4342300        
  6      4.1371100             -0.2565540        
  7      1.9708000              0.9662400        
  8      0.9150070              0.1097980        
  9      0.4073700             -1.0470350        
 10      0.1704440              0.4375990        
D   1
  1      0.0643790              1.0000000        
D   1
  1      6.2594000              1.0000000        
D   1
  1      3.3241000              1.0000000        
F   1
  1      9.0321000              1.0000000        
F   1
  1      3.8111000              1.0000000        
F   1
  1      1.6081000              1.0000000        
F   1
  1      0.5442000              1.0000000        
G   1
  1      7.3560000              1.0000000        
G   1
  1      3.2498000              1.0000000        
G   1
  1      1.2700000              1.0000000        
H   1
  1      6.7510000              1.0000000        
H   1
  1      2.7959000              1.0000000        


name: cc-pwCVQZ-NR
description: QZ3P All-electron non-relativistic Core-Valence Quadruple Zeta + Polarization
elt: Ni
data:
NICKEL
S   21
  1 15503020.0000000            2.085023E-06     
  2 2321071.0000000             1.621425E-05     
  3 528180.2000000              8.530773E-05     
  4 149604.0000000              0.0003603793     
  5  48809.0700000              0.001312632      
  6  17622.3900000              0.004272395      
  7   6874.2010000              0.01265994       
  8   2851.8570000              0.03423065       
  9   1244.3340000              0.08326735       
 10    566.1547000              0.1745758        
 11    266.7873000              0.2898023        
 12    129.3752000              0.3207323        
 13     63.6516100              0.1778265        
 14     29.3330200              0.03633007       
 15     14.8221200              0.02089458       
 16      7.4605130              0.01596954       
 17      3.4135760              0.001730245      
 18      1.6328840              0.0004817365     
 19      0.7435790              0.00012468       
 20      0.1725920              2.340378E-05     
 21      0.0774200             -1.348962E-05     
S   21
  1 15503020.0000000           -7.298155E-07     
  2 2321071.0000000            -5.677768E-06     
  3 528180.2000000             -2.985922E-05     
  4 149604.0000000             -0.0001262784     
  5  48809.0700000             -0.0004600252     
  6  17622.3900000             -0.00150323       
  7   6874.2010000             -0.004479171      
  8   2851.8570000             -0.01232512       
  9   1244.3340000             -0.03097639       
 10    566.1547000             -0.06998651       
 11    266.7873000             -0.1339256        
 12    129.3752000             -0.1966881        
 13     63.6516100             -0.1402258        
 14     29.3330200              0.1960730        
 15     14.8221200              0.5564517        
 16      7.4605130              0.3702167        
 17      3.4135760              0.05396034       
 18      1.6328840              0.004706492      
 19      0.7435790              0.003736115      
 20      0.1725920             -7.46805E-05      
 21      0.0774200              9.575336E-05     
S   21
  1 15503020.0000000            2.453237E-07     
  2 2321071.0000000             1.909637E-06     
  3 528180.2000000              1.003489E-05     
  4 149604.0000000              4.248835E-05     
  5  48809.0700000              0.0001546187     
  6  17622.3900000              0.000506455      
  7   6874.2010000              0.00150884       
  8   2851.8570000              0.004178816      
  9   1244.3340000              0.01056668       
 10    566.1547000              0.0243930        
 11    266.7873000              0.04812101       
 12    129.3752000              0.0756517        
 13     63.6516100              0.05748534       
 14     29.3330200             -0.09783186       
 15     14.8221200             -0.3864536        
 16      7.4605130             -0.3606598        
 17      3.4135760              0.2888650        
 18      1.6328840              0.6830917        
 19      0.7435790              0.3206778        
 20      0.1725920              0.01651471       
 21      0.0774200              0.0003124693     
S   21
  1 15503020.0000000           -5.114261E-08     
  2 2321071.0000000            -3.980779E-07     
  3 528180.2000000             -2.092033E-06     
  4 149604.0000000             -8.856836E-06     
  5  48809.0700000             -3.223602E-05     
  6  17622.3900000             -0.0001055757     
  7   6874.2010000             -0.0003146356     
  8   2851.8570000             -0.0008714113     
  9   1244.3340000             -0.002205415      
 10    566.1547000             -0.005095517      
 11    266.7873000             -0.01008237       
 12    129.3752000             -0.0159207        
 13     63.6516100             -0.01222037       
 14     29.3330200              0.02115869       
 15     14.8221200              0.08747304       
 16      7.4605130              0.08511605       
 17      3.4135760             -0.08115683       
 18      1.6328840             -0.2166359        
 19      0.7435790             -0.2076958        
 20      0.1725920              0.2699296        
 21      0.0774200              0.5842711        
S   21
  1 15503020.0000000           -9.762069E-08     
  2 2321071.0000000            -7.741142E-07     
  3 528180.2000000             -3.959746E-06     
  4 149604.0000000             -1.736914E-05     
  5  48809.0700000             -6.044953E-05     
  6  17622.3900000             -0.0002090555     
  7   6874.2010000             -0.0005834312     
  8   2851.8570000             -0.001746713      
  9   1244.3340000             -0.004026784      
 10    566.1547000             -0.01042362       
 11    266.7873000             -0.01781172       
 12    129.3752000             -0.03466996       
 13     63.6516100             -0.01540945       
 14     29.3330200              0.02086455       
 15     14.8221200              0.2206820        
 16      7.4605130              0.1073966        
 17      3.4135760             -0.08310668       
 18      1.6328840             -0.8942999        
 19      0.7435790              0.3750141        
 20      0.1725920              1.4967530        
 21      0.0774200             -0.5320390        
S   21
  1 15503020.0000000           -1.771733E-07     
  2 2321071.0000000            -1.397615E-06     
  3 528180.2000000             -7.203859E-06     
  4 149604.0000000             -3.128552E-05     
  5  48809.0700000             -0.0001102699     
  6  17622.3900000             -0.0003755735     
  7   6874.2010000             -0.0010679        
  8   2851.8570000             -0.003128427      
  9   1244.3340000             -0.007410272      
 10    566.1547000             -0.01859501       
 11    266.7873000             -0.03322798       
 12    129.3752000             -0.0611844        
 13     63.6516100             -0.03286334       
 14     29.3330200              0.04844202       
 15     14.8221200              0.3989880        
 16      7.4605130              0.3379290        
 17      3.4135760             -0.7016224        
 18      1.6328840             -1.6944340        
 19      0.7435790              2.5826800        
 20      0.1725920             -0.5498758        
 21      0.0774200             -1.3945510        
S   21
  1 15503020.0000000           -1.988311E-07     
  2 2321071.0000000            -1.449716E-06     
  3 528180.2000000             -8.363444E-06     
  4 149604.0000000             -3.125532E-05     
  5  48809.0700000             -0.0001327624     
  6  17622.3900000             -0.0003589662     
  7   6874.2010000             -0.001341488      
  8   2851.8570000             -0.002824018      
  9   1244.3340000             -0.009863607      
 10    566.1547000             -0.01523481       
 11    266.7873000             -0.04984489       
 12    129.3752000             -0.03522354       
 13     63.6516100             -0.1056424        
 14     29.3330200              0.2138034        
 15     14.8221200              0.1517675        
 16      7.4605130              1.1804280        
 17      3.4135760             -3.5264900        
 18      1.6328840              2.5508150        
 19      0.7435790              0.4306461        
 20      0.1725920             -3.4500410        
 21      0.0774200              4.7403420        
S   1
  1      0.0337010              1.0000000        
S   1
  1      6.5001000              1.0000000        
S   1
  1      1.7599000              1.0000000        
P   16
  1  45066.6200000              0.0000110        
  2  10662.6400000              0.0000960        
  3   3463.4310000              0.0005640        
  4   1326.6240000              0.0025700        
  5    564.7414000              0.0096770        
  6    258.8288000              0.0307420        
  7    125.3115000              0.0820650        
  8     63.2423300              0.1768450        
  9     32.8240600              0.2911620        
 10     17.3969200              0.3308160        
 11      9.3243940              0.2088190        
 12      4.9388390              0.0537390        
 13      2.5620250              0.0017090        
 14      1.2992940             -0.0017980        
 15      0.6346780             -0.0010460        
 16      0.2322620             -0.0000620        
P   17
  1  45066.6200000             -0.0000040        
  2  10662.6400000             -0.0000350        
  3   3463.4310000             -0.0002020        
  4   1326.6240000             -0.0009250        
  5    564.7414000             -0.0034990        
  6    258.8288000             -0.0112800        
  7    125.3115000             -0.0308190        
  8     63.2423300             -0.0690360        
  9     32.8240600             -0.1187330        
 10     17.3969200             -0.1424430        
 11      9.3243940             -0.0431070        
 12      4.9388390              0.2034990        
 13      2.5620250              0.4062280        
 14      1.2992940              0.3709380        
 15      0.6346780              0.1643120        
 16      0.2322620              0.0172650        
 17      0.0915460             -0.0016820        
P   17
  1  45066.6200000              0.0000010        
  2  10662.6400000              0.0000070        
  3   3463.4310000              0.0000410        
  4   1326.6240000              0.0001860        
  5    564.7414000              0.0007120        
  6    258.8288000              0.0022690        
  7    125.3115000              0.0062910        
  8     63.2423300              0.0139340        
  9     32.8240600              0.0245310        
 10     17.3969200              0.0287700        
 11      9.3243940              0.0087810        
 12      4.9388390             -0.0517310        
 13      2.5620250             -0.0959450        
 14      1.2992940             -0.1106750        
 15      0.6346780              0.0027270        
 16      0.2322620              0.3150270        
 17      0.0915460              0.5428100        
P   17
  1  45066.6200000              0.0000020        
  2  10662.6400000              0.0000140        
  3   3463.4310000              0.0000840        
  4   1326.6240000              0.0003710        
  5    564.7414000              0.0014600        
  6    258.8288000              0.0045370        
  7    125.3115000              0.0129220        
  8     63.2423300              0.0277660        
  9     32.8240600              0.0509560        
 10     17.3969200              0.0567450        
 11      9.3243940              0.0241190        
 12      4.9388390             -0.1250870        
 13      2.5620250             -0.2065410        
 14      1.2992940             -0.2149830        
 15      0.6346780              0.2078190        
 16      0.2322620              0.6385420        
 17      0.0915460              0.3262840        
P   17
  1  45066.6200000              0.0000030        
  2  10662.6400000              0.0000240        
  3   3463.4310000              0.0001550        
  4   1326.6240000              0.0006460        
  5    564.7414000              0.0026890        
  6    258.8288000              0.0078990        
  7    125.3115000              0.0239120        
  8     63.2423300              0.0480060        
  9     32.8240600              0.0962130        
 10     17.3969200              0.0975820        
 11      9.3243940              0.0770220        
 12      4.9388390             -0.3601360        
 13      2.5620250             -0.4455890        
 14      1.2992940             -0.1165380        
 15      0.6346780              1.1705030        
 16      0.2322620             -0.0389310        
 17      0.0915460             -0.7688140        
P   17
  1  45066.6200000              0.0000040        
  2  10662.6400000              0.0000360        
  3   3463.4310000              0.0001990        
  4   1326.6240000              0.0009590        
  5    564.7414000              0.0034630        
  6    258.8288000              0.0117560        
  7    125.3115000              0.0306900        
  8     63.2423300              0.0730810        
  9     32.8240600              0.1168270        
 10     17.3969200              0.1911630        
 11      9.3243940              0.1065430        
 12      4.9388390             -0.9499240        
 13      2.5620250             -0.5636050        
 14      1.2992940              1.9346110        
 15      0.6346780             -0.5101770        
 16      0.2322620             -1.1722970        
 17      0.0915460              1.0158980        
P   1
  1      0.0356430              1.0000000        
P   1
  1     10.4165000              1.0000000        
P   1
  1      2.9093000              1.0000000        
D   10
  1    414.3427000              0.0003500        
  2    124.3926000              0.0032000        
  3     48.1154000              0.0164770        
  4     20.8420000              0.0560010        
  5      9.6221000              0.1392340        
  6      4.6034000              0.2427760        
  7      2.1963000              0.3040690        
  8      1.0206000              0.2933190        
  9      0.4544000              0.2172590        
 10      0.1900000              0.1046990        
D   10
  1    414.3427000             -0.0003620        
  2    124.3926000             -0.0033350        
  3     48.1154000             -0.0171760        
  4     20.8420000             -0.0592450        
  5      9.6221000             -0.1512320        
  6      4.6034000             -0.2544610        
  7      2.1963000             -0.2287180        
  8      1.0206000              0.0206160        
  9      0.4544000              0.3427530        
 10      0.1900000              0.4738710        
D   10
  1    414.3427000             -0.0005290        
  2    124.3926000             -0.0049280        
  3     48.1154000             -0.0253720        
  4     20.8420000             -0.0896540        
  5      9.6221000             -0.2387440        
  6      4.6034000             -0.3597210        
  7      2.1963000              0.0044440        
  8      1.0206000              0.5965470        
  9      0.4544000              0.3313020        
 10      0.1900000             -0.5090090        
D   10
  1    414.3427000             -0.0007870        
  2    124.3926000             -0.0067780        
  3     48.1154000             -0.0377260        
  4     20.8420000             -0.1291250        
  5      9.6221000             -0.4148090        
  6      4.6034000             -0.2839570        
  7      2.1963000              0.8671940        
  8      1.0206000              0.2723270        
  9      0.4544000             -0.9868420        
 10      0.1900000              0.1853600        
D   1
  1      0.0715000              1.0000000        
D   1
  1      6.9565000              1.0000000        
D   1
  1      3.6674000              1.0000000        
F   1
  1     10.3791000              1.0000000        
F   1
  1      4.4257000              1.0000000        
F   1
  1      1.8872000              1.0000000        
F   1
  1      0.6538000              1.0000000        
G   1
  1      8.5105000              1.0000000        
G   1
  1      3.8307000              1.0000000        
G   1
  1      1.5457000              1.0000000        
H   1
  1      7.7448000              1.0000000        
H   1
  1      3.3495000              1.0000000        


