# all_value

name: aug-cc-pVTZ
description: VTZ2PD Valence Triple Zeta + Polarization + Diffuse
elt: S
data:
SULFUR
S   13
  1 374100.0000000              0.542140D-04     
  2  56050.0000000              0.420855D-03     
  3  12760.0000000              0.220698D-02     
  4   3615.0000000              0.919258D-02     
  5   1183.0000000              0.321123D-01     
  6    428.8000000              0.946683D-01     
  7    167.8000000              0.223630D+00     
  8     69.4700000              0.374393D+00     
  9     29.8400000              0.329108D+00     
 10     12.7200000              0.847038D-01     
 11      5.2440000              0.440851D-03     
 12      2.2190000              0.164827D-02     
 13      0.3490000              0.301306D-03     
S   13
  1 374100.0000000             -0.149837D-04     
  2  56050.0000000             -0.116198D-03     
  3  12760.0000000             -0.611583D-03     
  4   3615.0000000             -0.255370D-02     
  5   1183.0000000             -0.908708D-02     
  6    428.8000000             -0.277045D-01     
  7    167.8000000             -0.720020D-01     
  8     69.4700000             -0.146439D+00     
  9     29.8400000             -0.195150D+00     
 10     12.7200000              0.819193D-02     
 11      5.2440000              0.516601D+00     
 12      2.2190000              0.542178D+00     
 13      0.3490000             -0.918072D-02     
S   13
  1 374100.0000000              0.435066D-05     
  2  56050.0000000              0.337140D-04     
  3  12760.0000000              0.177674D-03     
  4   3615.0000000              0.741116D-03     
  5   1183.0000000              0.264591D-02     
  6    428.8000000              0.807487D-02     
  7    167.8000000              0.212276D-01     
  8     69.4700000              0.438323D-01     
  9     29.8400000              0.612716D-01     
 10     12.7200000             -0.361510D-02     
 11      5.2440000             -0.204510D+00     
 12      2.2190000             -0.381871D+00     
 13      0.3490000              0.714147D+00     
S   1
  1      0.7767000              1.0000000        
S   1
  1      0.1322000              1.0000000        
S   1
  1      0.0497000              1.0000000        
P   7
  1    574.4000000              0.242264D-02     
  2    135.8000000              0.192796D-01     
  3     43.1900000              0.885401D-01     
  4     15.8700000              0.254654D+00     
  5      6.2080000              0.433984D+00     
  6      2.4830000              0.354953D+00     
  7      0.3229000             -0.502977D-02     
P   7
  1    574.4000000             -0.620102D-03     
  2    135.8000000             -0.493882D-02     
  3     43.1900000             -0.232647D-01     
  4     15.8700000             -0.685195D-01     
  5      6.2080000             -0.123896D+00     
  6      2.4830000             -0.969499D-01     
  7      0.3229000              0.569394D+00     
P   1
  1      0.8688000              1.0000000        
P   1
  1      0.1098000              1.0000000        
P   1
  1      0.0351000              1.0000000        
D   1
  1      0.2690000              1.0000000        
D   1
  1      0.8190000              1.0000000        
D   1
  1      0.1010000              1.0000000        
F   1
  1      0.5570000              1.0000000        
F   1
  1      0.2180000              1.0000000        


name: aug-cc-pVTZ
description: VTZ2PD Valence Triple Zeta + Polarization + Diffuse
elt: Cl
data:
CHLORINE
S   13
  1 456100.0000000              0.492970D-04     
  2  68330.0000000              0.383029D-03     
  3  15550.0000000              0.200854D-02     
  4   4405.0000000              0.838558D-02     
  5   1439.0000000              0.294703D-01     
  6    520.4000000              0.878325D-01     
  7    203.1000000              0.211473D+00     
  8     83.9600000              0.365364D+00     
  9     36.2000000              0.340884D+00     
 10     15.8300000              0.102133D+00     
 11      6.3340000              0.311675D-02     
 12      2.6940000              0.105751D-02     
 13      0.4313000              0.156136D-03     
S   13
  1 456100.0000000             -0.138304D-04     
  2  68330.0000000             -0.107279D-03     
  3  15550.0000000             -0.565083D-03     
  4   4405.0000000             -0.236135D-02     
  5   1439.0000000             -0.845886D-02     
  6    520.4000000             -0.259638D-01     
  7    203.1000000             -0.686362D-01     
  8     83.9600000             -0.141874D+00     
  9     36.2000000             -0.199319D+00     
 10     15.8300000             -0.195662D-01     
 11      6.3340000              0.499741D+00     
 12      2.6940000              0.563736D+00     
 13      0.4313000             -0.835091D-02     
S   13
  1 456100.0000000              0.418546D-05     
  2  68330.0000000              0.324395D-04     
  3  15550.0000000              0.171105D-03     
  4   4405.0000000              0.714176D-03     
  5   1439.0000000              0.256705D-02     
  6    520.4000000              0.788552D-02     
  7    203.1000000              0.210867D-01     
  8     83.9600000              0.442264D-01     
  9     36.2000000              0.651670D-01     
 10     15.8300000              0.603012D-02     
 11      6.3340000             -0.206495D+00     
 12      2.6940000             -0.405871D+00     
 13      0.4313000              0.725661D+00     
S   1
  1      0.9768000              1.0000000        
S   1
  1      0.1625000              1.0000000        
S   1
  1      0.0591000              1.0000000        
P   7
  1    663.3000000              0.240448D-02     
  2    156.8000000              0.192148D-01     
  3     49.9800000              0.885097D-01     
  4     18.4200000              0.256020D+00     
  5      7.2400000              0.436927D+00     
  6      2.9220000              0.350334D+00     
  7      0.3818000             -0.458423D-02     
P   7
  1    663.3000000             -0.652145D-03     
  2    156.8000000             -0.519445D-02     
  3     49.9800000             -0.246938D-01     
  4     18.4200000             -0.728167D-01     
  5      7.2400000             -0.134030D+00     
  6      2.9220000             -0.947742D-01     
  7      0.3818000              0.564667D+00     
P   1
  1      1.0220000              1.0000000        
P   1
  1      0.1301000              1.0000000        
P   1
  1      0.0419000              1.0000000        
D   1
  1      1.0460000              1.0000000        
D   1
  1      0.3440000              1.0000000        
D   1
  1      0.1350000              1.0000000        
F   1
  1      0.7060000              1.0000000        
F   1
  1      0.3120000              1.0000000        


name: aug-cc-pVTZ
description: VTZ2PD Valence Triple Zeta + Polarization + Diffuse
elt: Ar
data:
ARGON
S   13
  1 545000.0000000              0.455828D-04     
  2  81640.0000000              0.354108D-03     
  3  18580.0000000              0.185797D-02     
  4   5261.0000000              0.776851D-02     
  5   1717.0000000              0.274232D-01     
  6    619.9000000              0.823836D-01     
  7    241.6000000              0.201230D+00     
  8     99.7900000              0.356781D+00     
  9     43.1500000              0.349563D+00     
 10     19.1400000              0.118266D+00     
 11      7.4880000              0.560190D-02     
 12      3.2050000              0.483473D-03     
 13      0.5204000              0.292025D-04     
S   13
  1 545000.0000000             -0.129551D-04     
  2  81640.0000000             -0.100428D-03     
  3  18580.0000000             -0.529583D-03     
  4   5261.0000000             -0.221396D-02     
  5   1717.0000000             -0.796845D-02     
  6    619.9000000             -0.245803D-01     
  7    241.6000000             -0.657798D-01     
  8     99.7900000             -0.137942D+00     
  9     43.1500000             -0.201630D+00     
 10     19.1400000             -0.412834D-01     
 11      7.4880000              0.484680D+00     
 12      3.2050000              0.579224D+00     
 13      0.5204000             -0.727553D-02     
S   13
  1 545000.0000000              0.404990D-05     
  2  81640.0000000              0.313691D-04     
  3  18580.0000000              0.165646D-03     
  4   5261.0000000              0.691662D-03     
  5   1717.0000000              0.249790D-02     
  6    619.9000000              0.771074D-02     
  7    241.6000000              0.208714D-01     
  8     99.7900000              0.443965D-01     
  9     43.1500000              0.680224D-01     
 10     19.1400000              0.141350D-01     
 11      7.4880000             -0.207489D+00     
 12      3.2050000             -0.425045D+00     
 13      0.5204000              0.733627D+00     
S   1
  1      1.1960000              1.0000000        
S   1
  1      0.1954000              1.0000000        
S   1
  1      0.0685000              1.0000000        
P   7
  1    761.8000000              0.236976D-02     
  2    180.2000000              0.190199D-01     
  3     57.5000000              0.880807D-01     
  4     21.2400000              0.256377D+00     
  5      8.3880000              0.438711D+00     
  6      3.4160000              0.347569D+00     
  7      0.4523000             -0.523882D-02     
P   7
  1    761.8000000             -0.667211D-03     
  2    180.2000000             -0.532717D-02     
  3     57.5000000             -0.255494D-01     
  4     21.2400000             -0.757197D-01     
  5      8.3880000             -0.141133D+00     
  6      3.4160000             -0.932768D-01     
  7      0.4523000              0.562450D+00     
P   1
  1      1.2060000              1.0000000        
P   1
  1      0.1545000              1.0000000        
P   1
  1      0.0487000              1.0000000        
D   1
  1      0.4100000              1.0000000        
D   1
  1      1.2540000              1.0000000        
D   1
  1      0.1690000              1.0000000        
F   1
  1      0.8900000              1.0000000        
F   1
  1      0.4060000              1.0000000        


name: aug-cc-pVTZ
description: VTZ2PD Valence Triple Zeta + Polarization + Diffuse
elt: Sc
data:
SCANDIUM
S   19
  1 2715278.0000000             8.147221E-06     
  2 406598.4000000              6.334788E-05     
  3  92530.0400000              0.0003330384     
  4  26207.9200000              0.001404055      
  5   8549.4290000              0.005081725      
  6   3085.9750000              0.01626926       
  7   1203.1720000              0.04624577       
  8    498.4869000              0.1137223        
  9    216.7360000              0.2257636        
 10     97.8747600              0.3106700        
 11     45.2043300              0.2191906        
 12     20.2118700              0.07215879       
 13      9.5747510              0.1187030        
 14      4.5403460              0.1220532        
 15      1.9956870              0.02136795       
 16      0.9422150             -0.0005357246     
 17      0.4178450              0.0002435774     
 18      0.0957610             -8.796617E-05     
 19      0.0513510              7.878246E-05     
S   19
  1 2715278.0000000            -4.722109E-06     
  2 406598.4000000             -3.671829E-05     
  3  92530.0400000             -0.0001930883     
  4  26207.9200000             -0.000814687      
  5   8549.4290000             -0.002955526      
  6   3085.9750000             -0.009520035      
  7   1203.1720000             -0.02746858       
  8    498.4869000             -0.06991528       
  9    216.7360000             -0.1499251        
 10     97.8747600             -0.2459153        
 11     45.2043300             -0.2401293        
 12     20.2118700              0.03567987       
 13      9.5747510              0.4915023        
 14      4.5403460              0.4911381        
 15      1.9956870              0.09120633       
 16      0.9422150             -0.005356723      
 17      0.4178450              0.0008812836     
 18      0.0957610             -0.0007605536     
 19      0.0513510              0.0006340116     
S   19
  1 2715278.0000000             9.139905E-07     
  2 406598.4000000              7.108513E-06     
  3  92530.0400000              3.738126E-05     
  4  26207.9200000              0.0001578828     
  5   8549.4290000              0.0005737686     
  6   3085.9750000              0.001859244      
  7   1203.1720000              0.005433182      
  8    498.4869000              0.01425387       
  9    216.7360000              0.03246144       
 10     97.8747600              0.06003454       
 11     45.2043300              0.06916105       
 12     20.2118700             -0.02113084       
 13      9.5747510             -0.2666832        
 14      4.5403460             -0.4367591        
 15      1.9956870              0.06498243       
 16      0.9422150              0.7009599        
 17      0.4178450              0.4515562        
 18      0.0957610              0.0301191        
 19      0.0513510             -0.0132948        
S   19
  1 2715278.0000000            -2.201951E-07     
  2 406598.4000000             -1.711419E-06     
  3  92530.0400000             -9.008469E-06     
  4  26207.9200000             -3.799997E-05     
  5   8549.4290000             -0.0001383227     
  6   3085.9750000             -0.0004473692     
  7   1203.1720000             -0.001310691      
  8    498.4869000             -0.00342986       
  9    216.7360000             -0.007847579      
 10     97.8747600             -0.01447189       
 11     45.2043300             -0.01690669       
 12     20.2118700              0.005396115      
 13      9.5747510              0.06671062       
 14      4.5403460              0.1178356        
 15      1.9956870             -0.02738134       
 16      0.9422150             -0.2260149        
 17      0.4178450             -0.3073539        
 18      0.0957610              0.2544054        
 19      0.0513510              0.5981590        
S   19
  1 2715278.0000000            -3.757238E-07     
  2 406598.4000000             -2.981907E-06     
  3  92530.0400000             -1.522586E-05     
  4  26207.9200000             -6.684686E-05     
  5   8549.4290000             -0.0002313129     
  6   3085.9750000             -0.0007959729     
  7   1203.1720000             -0.002161961      
  8    498.4869000             -0.006206459      
  9    216.7360000             -0.01261905       
 10     97.8747600             -0.02739459       
 11     45.2043300             -0.02336516       
 12     20.2118700             -0.005734627      
 13      9.5747510              0.1536025        
 14      4.5403460              0.1447100        
 15      1.9956870              0.09359699       
 16      0.9422150             -0.8687730        
 17      0.4178450              0.02114597       
 18      0.0957610              2.2754980        
 19      0.0513510             -1.1907700        
S   19
  1 2715278.0000000            -5.962768E-07     
  2 406598.4000000             -4.822853E-06     
  3  92530.0400000             -2.395005E-05     
  4  26207.9200000             -0.0001090335     
  5   8549.4290000             -0.0003601944     
  6   3085.9750000             -0.001311233      
  7   1203.1720000             -0.003322435      
  8    498.4869000             -0.0103752        
  9    216.7360000             -0.01892174       
 10     97.8747600             -0.04755287       
 11     45.2043300             -0.02931692       
 12     20.2118700             -0.03090088       
 13      9.5747510              0.3074597        
 14      4.5403460              0.1803100        
 15      1.9956870              0.2358178        
 16      0.9422150             -2.3885440        
 17      0.4178450              2.3294070        
 18      0.0957610              0.9918252        
 19      0.0513510             -3.5072400        
S   1
  1      0.0238780              1.0000000        
S   1
  1      1.110000E-02           1.0000000        
P   15
  1  10592.1900000              0.0000450        
  2   2507.5330000              0.0004010        
  3    814.4571000              0.0023020        
  4    311.5195000              0.0100370        
  5    131.9617000              0.0349540        
  6     59.9871800              0.0979090        
  7     28.6625000              0.2106800        
  8     14.1085100              0.3300930        
  9      7.1037060              0.3310270        
 10      3.6092000              0.1579600        
 11      1.7760700              0.0220990        
 12      0.8547600             -0.0016050        
 13      0.4022390             -0.0013260        
 14      0.1546650             -0.0002800        
 15      0.0649450              0.0000340        
P   15
  1  10592.1900000             -0.0000150        
  2   2507.5330000             -0.0001310        
  3    814.4571000             -0.0007570        
  4    311.5195000             -0.0033180        
  5    131.9617000             -0.0117060        
  6     59.9871800             -0.0336040        
  7     28.6625000             -0.0748790        
  8     14.1085100             -0.1225480        
  9      7.1037060             -0.1302760        
 10      3.6092000              0.0145960        
 11      1.7760700              0.3091840        
 12      0.8547600              0.4629980        
 13      0.4022390              0.3049570        
 14      0.1546650              0.0508780        
 15      0.0649450             -0.0044930        
P   15
  1  10592.1900000             -0.0000040        
  2   2507.5330000             -0.0000320        
  3    814.4571000             -0.0001850        
  4    311.5195000             -0.0008080        
  5    131.9617000             -0.0028700        
  6     59.9871800             -0.0082070        
  7     28.6625000             -0.0184730        
  8     14.1085100             -0.0301010        
  9      7.1037060             -0.0329430        
 10      3.6092000              0.0079580        
 11      1.7760700              0.0879930        
 12      0.8547600              0.1523770        
 13      0.4022390              0.0971700        
 14      0.1546650             -0.2569380        
 15      0.0649450             -0.5878150        
P   15
  1  10592.1900000              0.0000040        
  2   2507.5330000              0.0000390        
  3    814.4571000              0.0002210        
  4    311.5195000              0.0009840        
  5    131.9617000              0.0034230        
  6     59.9871800              0.0099930        
  7     28.6625000              0.0219160        
  8     14.1085100              0.0370080        
  9      7.1037060              0.0377940        
 10      3.6092000             -0.0043790        
 11      1.7760700             -0.1101640        
 12      0.8547600             -0.1610170        
 13      0.4022390             -0.1824820        
 14      0.1546650              0.3886110        
 15      0.0649450              0.6911000        
P   15
  1  10592.1900000              0.0000090        
  2   2507.5330000              0.0000740        
  3    814.4571000              0.0004790        
  4    311.5195000              0.0018690        
  5    131.9617000              0.0074240        
  6     59.9871800              0.0187630        
  7     28.6625000              0.0487170        
  8     14.1085100              0.0654400        
  9      7.1037060              0.1079480        
 10      3.6092000             -0.0587130        
 11      1.7760700             -0.1703060        
 12      0.8547600             -0.7549770        
 13      0.4022390              0.6201170        
 14      0.1546650              1.1675480        
 15      0.0649450             -1.0095310        
P   1
  1      0.0263590              1.0000000        
P   1
  1      1.066000E-02           1.0000000        
D   7
  1     50.5138000              0.0042660        
  2     14.7405000              0.0277080        
  3      5.1950000              0.1000010        
  4      2.0284600              0.2315810        
  5      0.8040860              0.3460330        
  6      0.3076890              0.3733740        
  7      0.1113920              0.2642880        
D   7
  1     50.5138000             -0.0043890        
  2     14.7405000             -0.0283630        
  3      5.1950000             -0.1051370        
  4      2.0284600             -0.2348540        
  5      0.8040860             -0.3246090        
  6      0.3076890             -0.0642890        
  7      0.1113920              0.6017490        
D   7
  1     50.5138000              0.0058590        
  2     14.7405000              0.0373230        
  3      5.1950000              0.1419240        
  4      2.0284600              0.3068960        
  5      0.8040860              0.3081890        
  6      0.3076890             -0.7607170        
  7      0.1113920             -0.2047750        
D   1
  1      0.0373520              1.0000000        
D   1
  1      1.244000E-02           1.0000000        
F   1
  1      0.7267000              1.0000000        
F   1
  1      0.1665000              1.0000000        
F   1
  1      4.063000E-02           1.0000000        
G   1
  1      0.4187000              1.0000000        
G   1
  1      9.473000E-02           1.0000000        


name: aug-cc-pVTZ
description: VTZ2PD Valence Triple Zeta + Polarization + Diffuse
elt: Ti
data:
TITANIUM
S   19
  1 3014643.0000000             8.060782E-06     
  2 451432.9000000              6.267518E-05     
  3 102733.8000000              0.0003295006     
  4  29098.1700000              0.001389203      
  5   9492.3300000              0.005028469      
  6   3426.3460000              0.01610419       
  7   1335.8960000              0.04581232       
  8    553.5026000              0.1128613        
  9    240.6925000              0.2248193        
 10    108.7293000              0.3114571        
 11     50.2645700              0.2224995        
 12     22.5800400              0.07293128       
 13     10.7143200              0.1160683        
 14      5.0935460              0.1194774        
 15      2.2441830              0.02097868       
 16      1.0595700             -0.0005091715     
 17      0.4688490              0.0002217859     
 18      0.1061430             -7.636896E-05     
 19      0.0552620              7.719539E-05     
S   19
  1 3014643.0000000            -4.630486E-06     
  2 451432.9000000             -3.600451E-05     
  3 102733.8000000             -0.000189342      
  4  29098.1700000             -0.0007988781     
  5   9492.3300000             -0.002898698      
  6   3426.3460000             -0.009339701      
  7   1335.8960000             -0.02697464       
  8    553.5026000             -0.06878913       
  9    240.6925000             -0.1481037        
 10    108.7293000             -0.2445253        
 11     50.2645700             -0.2419916        
 12     22.5800400              0.0318379        
 13     10.7143200              0.4932686        
 14      5.0935460              0.4939655        
 15      2.2441830              0.09196313       
 16      1.0595700             -0.005316992      
 17      0.4688490              0.0008085624     
 18      0.1061430             -0.0006918459     
 19      0.0552620              0.0006086512     
S   19
  1 3014643.0000000             9.230559E-07     
  2 451432.9000000              7.178974E-06     
  3 102733.8000000              3.775134E-05     
  4  29098.1700000              0.0001594532     
  5   9492.3300000              0.000579515      
  6   3426.3460000              0.001878414      
  7   1335.8960000              0.005492747      
  8    553.5026000              0.01443297       
  9    240.6925000              0.03296408       
 10    108.7293000              0.06125493       
 11     50.2645700              0.07134113       
 12     22.5800400             -0.0197315        
 13     10.7143200             -0.2741869        
 14      5.0935460             -0.4440977        
 15      2.2441830              0.07776084       
 16      1.0595700              0.7068444        
 17      0.4688490              0.4413892        
 18      0.1061430              0.02799769       
 19      0.0552620             -0.0121079        
S   19
  1 3014643.0000000            -2.180323E-07     
  2 451432.9000000             -1.69486E-06      
  3 102733.8000000             -8.919208E-06     
  4  29098.1700000             -3.763633E-05     
  5   9492.3300000             -0.0001369575     
  6   3426.3460000             -0.0004432894     
  7   1335.8960000             -0.001298868      
  8    553.5026000             -0.003406752      
  9    240.6925000             -0.007810829      
 10    108.7293000             -0.01449245       
 11     50.2645700             -0.01708136       
 12     22.5800400              0.004897666      
 13     10.7143200              0.06753108       
 14      5.0935460              0.1173318        
 15      2.2441830             -0.02985025       
 16      1.0595700             -0.2277634        
 17      0.4688490             -0.2928115        
 18      0.1061430              0.2665300        
 19      0.0552620              0.5912406        
S   19
  1 3014643.0000000            -3.975126E-07     
  2 451432.9000000             -3.16108E-06      
  3 102733.8000000             -1.609375E-05     
  4  29098.1700000             -7.092947E-05     
  5   9492.3300000             -0.000244271      
  6   3426.3460000             -0.0008457892     
  7   1335.8960000             -0.002282208      
  8    553.5026000             -0.006619873      
  9    240.6925000             -0.01335024       
 10    108.7293000             -0.0295583        
 11     50.2645700             -0.02477039       
 12     22.5800400             -0.008414624      
 13     10.7143200              0.1693855        
 14      5.0935460              0.1500787        
 15      2.2441830              0.09787777       
 16      1.0595700             -0.9653608        
 17      0.4688490              0.1489721        
 18      0.1061430              2.1911790        
 19      0.0552620             -1.2433250        
S   19
  1 3014643.0000000            -6.302483E-07     
  2 451432.9000000             -5.084585E-06     
  3 102733.8000000             -2.534482E-05     
  4  29098.1700000             -0.000114826      
  5   9492.3300000             -0.0003817497     
  6   3426.3460000             -0.001379645      
  7   1335.8960000             -0.003531666      
  8    553.5026000             -0.01092225       
  9    240.6925000             -0.02029554       
 10    108.7293000             -0.05024404       
 11     50.2645700             -0.03316309       
 12     22.5800400             -0.03098063       
 13     10.7143200              0.3244673        
 14      5.0935460              0.2155689        
 15      2.2441830              0.1499616        
 16      1.0595700             -2.4207410        
 17      0.4688490              2.5308740        
 18      0.1061430              0.3423600        
 19      0.0552620             -2.7337220        
S   1
  1      0.0254650              1.0000000        
S   1
  1      0.0117300              1.0000000        
P   15
  1  11912.0300000              0.0000440        
  2   2819.9470000              0.0003910        
  3    915.9479000              0.0022480        
  4    350.3842000              0.0098230        
  5    148.4825000              0.0343380        
  6     67.5394400              0.0966660        
  7     32.3033200              0.2094170        
  8     15.9278600              0.3301890        
  9      8.0380350              0.3319360        
 10      4.0939160              0.1584880        
 11      2.0223900              0.0223100        
 12      0.9761020             -0.0015660        
 13      0.4595950             -0.0013240        
 14      0.1771520             -0.0002710        
 15      0.0735170              0.0000320        
P   15
  1  11912.0300000             -0.0000150        
  2   2819.9470000             -0.0001310        
  3    915.9479000             -0.0007550        
  4    350.3842000             -0.0033190        
  5    148.4825000             -0.0117500        
  6     67.5394400             -0.0339220        
  7     32.3033200             -0.0761640        
  8     15.9278600             -0.1257020        
  9      8.0380350             -0.1330980        
 10      4.0939160              0.0174060        
 11      2.0223900              0.3151650        
 12      0.9761020              0.4618140        
 13      0.4595950              0.2998560        
 14      0.1771520              0.0500000        
 15      0.0735170             -0.0042300        
P   15
  1  11912.0300000              0.0000040        
  2   2819.9470000              0.0000310        
  3    915.9479000              0.0001820        
  4    350.3842000              0.0007950        
  5    148.4825000              0.0028330        
  6     67.5394400              0.0081540        
  7     32.3033200              0.0184720        
  8     15.9278600              0.0304000        
  9      8.0380350              0.0330470        
 10      4.0939160             -0.0082510        
 11      2.0223900             -0.0885540        
 12      0.9761020             -0.1496120        
 13      0.4595950             -0.0942270        
 14      0.1771520              0.2508460        
 15      0.0735170              0.5866430        
P   15
  1  11912.0300000              0.0000040        
  2   2819.9470000              0.0000390        
  3    915.9479000              0.0002230        
  4    350.3842000              0.0009920        
  5    148.4825000              0.0034760        
  6     67.5394400              0.0101720        
  7     32.3033200              0.0225760        
  8     15.9278600              0.0382380        
  9      8.0380350              0.0393370        
 10      4.0939160             -0.0061060        
 11      2.0223900             -0.1129620        
 12      0.9761020             -0.1681140        
 13      0.4595950             -0.1659320        
 14      0.1771520              0.3914030        
 15      0.0735170              0.6818400        
P   15
  1  11912.0300000              0.0000090        
  2   2819.9470000              0.0000730        
  3    915.9479000              0.0004680        
  4    350.3842000              0.0018560        
  5    148.4825000              0.0072930        
  6     67.5394400              0.0188560        
  7     32.3033200              0.0484050        
  8     15.9278600              0.0673780        
  9      8.0380350              0.1045410        
 10      4.0939160             -0.0537600        
 11      2.0223900             -0.1917490        
 12      0.9761020             -0.6947200        
 13      0.4595950              0.5601620        
 14      0.1771520              1.1813360        
 15      0.0735170             -0.9932720        
P   1
  1      0.0294010              1.0000000        
P   1
  1      0.0117600              1.0000000        
D   7
  1     64.0130000              0.0038870        
  2     18.8179000              0.0263990        
  3      6.7287000              0.0975110        
  4      2.6641300              0.2328480        
  5      1.0786800              0.3531520        
  6      0.4232090              0.3721860        
  7      0.1559990              0.2476720        
D   7
  1     64.0130000             -0.0039700        
  2     18.8179000             -0.0268730        
  3      6.7287000             -0.1022750        
  4      2.6641300             -0.2377280        
  5      1.0786800             -0.3121140        
  6      0.4232090             -0.0423780        
  7      0.1559990              0.5886580        
D   7
  1     64.0130000              0.0064180        
  2     18.8179000              0.0438090        
  3      6.7287000              0.1723250        
  4      2.6641300              0.3753320        
  5      1.0786800              0.2249470        
  6      0.4232090             -0.7919070        
  7      0.1559990             -0.1044280        
D   1
  1      0.0518840              1.0000000        
D   1
  1      0.0172600              1.0000000        
F   1
  1      1.2483000              1.0000000        
F   1
  1      0.2836000              1.0000000        
F   1
  1      0.0826600              1.0000000        
G   1
  1      0.7251000              1.0000000        
G   1
  1      0.2114800              1.0000000        


name: aug-cc-pVTZ
description: VTZ2PD Valence Triple Zeta + Polarization + Diffuse
elt: V
data:
VANADIUM
S   19
  1 3321857.0000000             8.039999E-06     
  2 497435.6000000              6.251402E-05     
  3 113202.7000000              0.0003286553     
  4  32063.3300000              0.001385697      
  5  10459.6200000              0.005016217      
  6   3775.5060000              0.01606931       
  7   1472.0400000              0.04574242       
  8    609.9331000              0.1128544        
  9    265.2634000              0.2254344        
 10    119.8607000              0.3140461        
 11     55.4489100              0.2267819        
 12     24.9837200              0.07334069       
 13     11.8805600              0.1102474        
 14      5.6603110              0.1131358        
 15      2.4957030              0.01971295       
 16      1.1778660             -0.0004719088     
 17      0.5200440              0.0001861606     
 18      0.1159650             -6.208598E-05     
 19      0.0589380              7.295314E-05     
S   19
  1 3321857.0000000            -4.503003E-06     
  2 497435.6000000             -3.501295E-05     
  3 113202.7000000             -0.0001841339     
  4  32063.3300000             -0.0007769216     
  5  10459.6200000             -0.002819505      
  6   3775.5060000             -0.009087486      
  7   1472.0400000             -0.02627134       
  8    609.9331000             -0.06712726       
  9    265.2634000             -0.1451130        
 10    119.8607000             -0.2412483        
 11     55.4489100             -0.2416314        
 12     24.9837200              0.03067362       
 13     11.8805600              0.4970415        
 14      5.6603110              0.4958875        
 15      2.4957030              0.09181868       
 16      1.1778660             -0.005392514      
 17      0.5200440              0.000710238      
 18      0.1159650             -0.0006363128     
 19      0.0589380              0.0005979932     
S   19
  1 3321857.0000000             9.320648E-07     
  2 497435.6000000              7.249306E-06     
  3 113202.7000000              3.811967E-05     
  4  32063.3300000              0.0001610238     
  5  10459.6200000              0.000585221      
  6   3775.5060000              0.001897502      
  7   1472.0400000              0.005550909      
  8    609.9331000              0.01460584       
  9    265.2634000              0.03342974       
 10    119.8607000              0.06235722       
 11     55.4489100              0.07312435       
 12     24.9837200             -0.01911472       
 13     11.8805600             -0.2817249        
 14      5.6603110             -0.4488151        
 15      2.4957030              0.09202696       
 16      1.1778660              0.7110117        
 17      0.5200440              0.4309274        
 18      0.1159650              0.02604589       
 19      0.0589380             -0.01101049       
S   19
  1 3321857.0000000            -2.158944E-07     
  2 497435.6000000             -1.678519E-06     
  3 113202.7000000             -8.831213E-06     
  4  32063.3300000             -3.727769E-05     
  5  10459.6200000             -0.0001356099     
  6   3775.5060000             -0.0004392351     
  7   1472.0400000             -0.001286948      
  8    609.9331000             -0.003382149      
  9    265.2634000             -0.007765646      
 10    119.8607000             -0.01447985       
 11     55.4489100             -0.01715502       
 12     24.9837200              0.004610101      
 13     11.8805600              0.06827831       
 14      5.6603110              0.1161368        
 15      2.4957030             -0.03277049       
 16      1.1778660             -0.2280000        
 17      0.5200440             -0.2793991        
 18      0.1159650              0.2771165        
 19      0.0589380              0.5852999        
S   19
  1 3321857.0000000            -4.093416E-07     
  2 497435.6000000             -3.258956E-06     
  3 113202.7000000             -1.65639E-05      
  4  32063.3300000             -7.316689E-05     
  5  10459.6200000             -0.0002512784     
  6   3775.5060000             -0.0008732657     
  7   1472.0400000             -0.002347654      
  8    609.9331000             -0.00685315       
  9    265.2634000             -0.0137642        
 10    119.8607000             -0.03084679       
 11     55.4489100             -0.02562208       
 12     24.9837200             -0.01005123       
 13     11.8805600              0.1795330        
 14      5.6603110              0.1522400        
 15      2.4957030              0.09483887       
 16      1.1778660             -1.0148760        
 17      0.5200440              0.2308810        
 18      0.1159650              2.1133210        
 19      0.0589380             -1.2530480        
S   19
  1 3321857.0000000            -6.539963E-07     
  2 497435.6000000             -5.267399E-06     
  3 113202.7000000             -2.632092E-05     
  4  32063.3300000             -0.0001188719     
  5  10459.6200000             -0.0003968552     
  6   3775.5060000             -0.00142746       
  7   1472.0400000             -0.003679181      
  8    609.9331000             -0.01130774       
  9    265.2634000             -0.02128221       
 10    119.8607000             -0.05218271       
 11     55.4489100             -0.03599014       
 12     24.9837200             -0.03088759       
 13     11.8805600              0.3380657        
 14      5.6603110              0.2389559        
 15      2.4957030              0.07609068       
 16      1.1778660             -2.4081130        
 17      0.5200440              2.6335920        
 18      0.1159650             -0.0535851        
 19      0.0589380             -2.2301350        
S   1
  1      0.0269460              1.0000000        
S   1
  1      0.0123200              1.0000000        
P   15
  1  13273.2000000              0.0000430        
  2   3142.1260000              0.0003840        
  3   1020.5880000              0.0022100        
  4    390.4407000              0.0096780        
  5    165.5043000              0.0339360        
  6     75.3200600              0.0959170        
  7     36.0550300              0.2088530        
  8     17.8043600              0.3306600        
  9      9.0029290              0.3323120        
 10      4.5945440              0.1581880        
 11      2.2767600              0.0222520        
 12      1.1011780             -0.0015650        
 13      0.5186380             -0.0013530        
 14      0.2005650             -0.0002650        
 15      0.0812910              0.0000290        
P   15
  1  13273.2000000             -0.0000150        
  2   3142.1260000             -0.0001310        
  3   1020.5880000             -0.0007550        
  4    390.4407000             -0.0033250        
  5    165.5043000             -0.0118110        
  6     75.3200600             -0.0342560        
  7     36.0550300             -0.0773630        
  8     17.8043600             -0.1284560        
  9      9.0029290             -0.1350780        
 10      4.5945440              0.0208380        
 11      2.2767600              0.3204990        
 12      1.1011780              0.4602600        
 13      0.5186380              0.2953460        
 14      0.2005650              0.0490460        
 15      0.0812910             -0.0038240        
P   15
  1  13273.2000000              0.0000040        
  2   3142.1260000              0.0000320        
  3   1020.5880000              0.0001830        
  4    390.4407000              0.0008020        
  5    165.5043000              0.0028620        
  6     75.3200600              0.0082870        
  7     36.0550300              0.0188700        
  8     17.8043600              0.0313070        
  9      9.0029290              0.0336600        
 10      4.5945440             -0.0094790        
 11      2.2767600             -0.0923130        
 12      1.1011780             -0.1489890        
 13      0.5186380             -0.0836440        
 14      0.2005650              0.2493390        
 15      0.0812910              0.5805150        
P   15
  1  13273.2000000              0.0000040        
  2   3142.1260000              0.0000390        
  3   1020.5880000              0.0002230        
  4    390.4407000              0.0009960        
  5    165.5043000              0.0034980        
  6     75.3200600              0.0102960        
  7     36.0550300              0.0229620        
  8     17.8043600              0.0392080        
  9      9.0029290              0.0399430        
 10      4.5945440             -0.0071210        
 11      2.2767600             -0.1162250        
 12      1.1011780             -0.1694960        
 13      0.5186380             -0.1553740        
 14      0.2005650              0.3950220        
 15      0.0812910              0.6789080        
P   15
  1  13273.2000000              0.0000090        
  2   3142.1260000              0.0000750        
  3   1020.5880000              0.0004790        
  4    390.4407000              0.0019060        
  5    165.5043000              0.0075120        
  6     75.3200600              0.0195300        
  7     36.0550300              0.0504020        
  8     17.8043600              0.0706850        
  9      9.0029290              0.1087750        
 10      4.5945440             -0.0585360        
 11      2.2767600             -0.2154480        
 12      1.1011780             -0.6773420        
 13      0.5186380              0.5859790        
 14      0.2005650              1.1291080        
 15      0.0812910             -0.9740510        
P   1
  1      0.0317950              1.0000000        
P   1
  1      0.0124400              1.0000000        
D   7
  1     77.6115000              0.0035950        
  2     22.9159000              0.0252100        
  3      8.2795400              0.0947860        
  4      3.3099300              0.2303630        
  5      1.3586300              0.3528940        
  6      0.5413500              0.3704140        
  7      0.2023560              0.2457180        
D   7
  1     77.6115000             -0.0038180        
  2     22.9159000             -0.0267170        
  3      8.2795400             -0.1036900        
  4      3.3099300             -0.2476890        
  5      1.3586300             -0.3115230        
  6      0.5413500             -0.0228270        
  7      0.2023560              0.5697260        
D   7
  1     77.6115000              0.0060010        
  2     22.9159000              0.0422060        
  3      8.2795400              0.1707510        
  4      3.3099300              0.3855180        
  5      1.3586300              0.2062040        
  6      0.5413500             -0.7786690        
  7      0.2023560             -0.1147210        
D   1
  1      0.0675680              1.0000000        
D   1
  1      0.0225600              1.0000000        
F   1
  1      1.7749000              1.0000000        
F   1
  1      0.4125000              1.0000000        
F   1
  1      0.1311200              1.0000000        
G   1
  1      1.1368000              1.0000000        
G   1
  1      0.3846500              1.0000000        


name: aug-cc-pVTZ
description: VTZ2PD Valence Triple Zeta + Polarization + Diffuse
elt: Cr
data:
CHROMIUM
S   19
  1 6177194.0000000             4.128667E-06     
  2 924929.5000000              3.210767E-05     
  3 210486.5000000              0.0001688416     
  4  59620.0500000              0.000712852      
  5  19450.7600000              0.002589325      
  6   7022.0560000              0.00837735       
  7   2738.7630000              0.02441725       
  8   1135.8140000              0.06365135       
  9    495.0923000              0.1427618        
 10    224.7487000              0.2541275        
 11    105.3836000              0.3009512        
 12     50.1935900              0.1766513        
 13     22.2495700              0.06936709       
 14     10.9826500              0.1179579        
 15      5.3836650              0.08916187       
 16      2.3436850              0.0110363        
 17      1.1052020             -0.0003546048     
 18      0.4878480              0.0001057311     
 19      0.0895990              1.11464E-05      
S   19
  1 6177194.0000000            -2.301772E-06     
  2 924929.5000000             -1.789536E-05     
  3 210486.5000000             -9.416174E-05     
  4  59620.0500000             -0.0003975074     
  5  19450.7600000             -0.001447025      
  6   7022.0560000             -0.004694622      
  7   2738.7630000             -0.01382387       
  8   1135.8140000             -0.03674643       
  9    495.0923000             -0.08647185       
 10    224.7487000             -0.1696735        
 11    105.3836000             -0.2507089        
 12     50.1935900             -0.1961156        
 13     22.2495700              0.1457244        
 14     10.9826500              0.5466706        
 15      5.3836650              0.3979434        
 16      2.3436850              0.05277007       
 17      1.1052020             -0.004374537      
 18      0.4878480              0.0003204035     
 19      0.0895990             -5.142077E-05     
S   19
  1 6177194.0000000             4.862957E-07     
  2 924929.5000000              3.776645E-06     
  3 210486.5000000              1.990664E-05     
  4  59620.0500000              8.389164E-05     
  5  19450.7600000              0.0003065706     
  6   7022.0560000              0.0009944107     
  7   2738.7630000              0.002961959      
  8   1135.8140000              0.007969473      
  9    495.0923000              0.01955017       
 10    224.7487000              0.04085035       
 11    105.3836000              0.06929003       
 12     50.1935900              0.06146984       
 13     22.2495700             -0.06981302       
 14     10.9826500             -0.3517597        
 15      5.3836650             -0.3828629        
 16      2.3436850              0.2676401        
 17      1.1052020              0.7175950        
 18      0.4878480              0.3020814        
 19      0.0895990              0.007749514      
S   19
  1 6177194.0000000            -1.102451E-07     
  2 924929.5000000             -8.530233E-07     
  3 210486.5000000             -4.520358E-06     
  4  59620.0500000             -1.891612E-05     
  5  19450.7600000             -6.974344E-05     
  6   7022.0560000             -0.0002237867     
  7   2738.7630000             -0.0006754503     
  8   1135.8140000             -0.001789346      
  9    495.0923000             -0.004477858      
 10    224.7487000             -0.009140144      
 11    105.3836000             -0.01610562       
 12     50.1935900             -0.0133487        
 13     22.2495700              0.01426027       
 14     10.9826500              0.0893169        
 15      5.3836650              0.08885279       
 16      2.3436850             -0.06368776       
 17      1.1052020             -0.2783262        
 18      0.4878480             -0.1830071        
 19      0.0895990              0.6790937        
S   19
  1 6177194.0000000             2.179893E-07     
  2 924929.5000000              1.61294E-06      
  3 210486.5000000              9.111842E-06     
  4  59620.0500000              3.500645E-05     
  5  19450.7600000              0.0001435315     
  6   7022.0560000              0.0004035896     
  7   2738.7630000              0.001425177      
  8   1135.8140000              0.003114009      
  9    495.0923000              0.009814449      
 10    224.7487000              0.01474698       
 11    105.3836000              0.03911512       
 12     50.1935900              0.009170888      
 13     22.2495700              0.01559878       
 14     10.9826500             -0.2816844        
 15      5.3836650             -0.006895261      
 16      2.3436850             -0.1769781        
 17      1.1052020              1.4430610        
 18      0.4878480             -1.0293180        
 19      0.0895990             -1.3076670        
S   19
  1 6177194.0000000            -3.669010E-07     
  2 924929.5000000             -2.768353E-06     
  3 210486.5000000             -1.521014E-05     
  4  59620.0500000             -6.066288E-05     
  5  19450.7600000             -0.0002374959     
  6   7022.0560000             -0.0007077071     
  7   2738.7630000             -0.002334389      
  8   1135.8140000             -0.005555062      
  9    495.0923000             -0.01585142       
 10    224.7487000             -0.02737888       
 11    105.3836000             -0.06106975       
 12     50.1935900             -0.02887227       
 13     22.2495700              0.006813714      
 14     10.9826500              0.4327670        
 15      5.3836650              0.1968410        
 16      2.3436850             -0.3764657        
 17      1.1052020             -2.0524730        
 18      0.4878480              2.9757410        
 19      0.0895990             -2.2117050        
S   1
  1      0.0334230              1.0000000        
S   1
  1      0.0124700              1.0000000        
P   15
  1  14454.2000000              0.0000440        
  2   3421.6760000              0.0003890        
  3   1111.3870000              0.0022410        
  4    425.1918000              0.0098210        
  5    180.2623000              0.0344710        
  6     82.0611700              0.0974600        
  7     39.2972600              0.2119850        
  8     19.4195900              0.3339900        
  9      9.8288990              0.3301370        
 10      5.0168100              0.1522270        
 11      2.4870910              0.0204250        
 12      1.1987800             -0.0013600        
 13      0.5586950             -0.0011950        
 14      0.2089240             -0.0001970        
 15      0.0846080              0.0000230        
P   15
  1  14454.2000000             -0.0000150        
  2   3421.6760000             -0.0001350        
  3   1111.3870000             -0.0007770        
  4    425.1918000             -0.0034270        
  5    180.2623000             -0.0121890        
  6     82.0611700             -0.0353880        
  7     39.2972600             -0.0799150        
  8     19.4195900             -0.1323350        
  9      9.8288990             -0.1354010        
 10      5.0168100              0.0320080        
 11      2.4870910              0.3338490        
 12      1.1987800              0.4617730        
 13      0.5586950              0.2812900        
 14      0.2089240              0.0418430        
 15      0.0846080             -0.0040020        
P   15
  1  14454.2000000              0.0000040        
  2   3421.6760000              0.0000320        
  3   1111.3870000              0.0001850        
  4    425.1918000              0.0008100        
  5    180.2623000              0.0029060        
  6     82.0611700              0.0083910        
  7     39.2972600              0.0191930        
  8     19.4195900              0.0315640        
  9      9.8288990              0.0334170        
 10      5.0168100             -0.0129070        
 11      2.4870910             -0.0936590        
 12      1.1987800             -0.1499770        
 13      0.5586950             -0.0672340        
 14      0.2089240              0.2707590        
 15      0.0846080              0.5758070        
P   15
  1  14454.2000000              0.0000040        
  2   3421.6760000              0.0000400        
  3   1111.3870000              0.0002290        
  4    425.1918000              0.0010190        
  5    180.2623000              0.0036020        
  6     82.0611700              0.0105500        
  7     39.2972600              0.0237020        
  8     19.4195900              0.0399880        
  9      9.8288990              0.0404370        
 10      5.0168100             -0.0120740        
 11      2.4870910             -0.1189390        
 12      1.1987800             -0.1781000        
 13      0.5586950             -0.1238650        
 14      0.2089240              0.4297220        
 15      0.0846080              0.6507860        
P   15
  1  14454.2000000              0.0000100        
  2   3421.6760000              0.0000790        
  3   1111.3870000              0.0005120        
  4    425.1918000              0.0020230        
  5    180.2623000              0.0080550        
  6     82.0611700              0.0207720        
  7     39.2972600              0.0542240        
  8     19.4195900              0.0746850        
  9      9.8288990              0.1159890        
 10      5.0168100             -0.0765840        
 11      2.4870910             -0.2439310        
 12      1.1987800             -0.6801810        
 13      0.5586950              0.7336640        
 14      0.2089240              0.9991200        
 15      0.0846080             -1.0170810        
P   1
  1      0.0332580              1.0000000        
P   1
  1      0.0130700              1.0000000        
D   7
  1     88.5768000              0.0036210        
  2     26.2045000              0.0257660        
  3      9.5174700              0.0975560        
  4      3.8224800              0.2363120        
  5      1.5751200              0.3582860        
  6      0.6289280              0.3685430        
  7      0.2344240              0.2354940        
D   7
  1     88.5768000             -0.0041220        
  2     26.2045000             -0.0293070        
  3      9.5174700             -0.1150620        
  4      3.8224800             -0.2730680        
  5      1.5751200             -0.3144230        
  6      0.6289280              0.0420970        
  7      0.2344240              0.5914030        
D   7
  1     88.5768000              0.0059540        
  2     26.2045000              0.0425320        
  3      9.5174700              0.1745110        
  4      3.8224800              0.3939000        
  5      1.5751200              0.1492790        
  6      0.6289280             -0.8102450        
  7      0.2344240              0.0109110        
D   1
  1      0.0768150              1.0000000        
D   1
  1      0.0251700              1.0000000        
F   1
  1      2.2510000              1.0000000        
F   1
  1      0.5315000              1.0000000        
F   1
  1      0.1763600              1.0000000        
G   1
  1      1.4459000              1.0000000        
G   1
  1      0.5132900              1.0000000        


name: aug-cc-pVTZ
description: VTZ2PD Valence Triple Zeta + Polarization + Diffuse
elt: Mn
data:
MANGANESE
S   19
  1 3960805.0000000             8.242127E-06     
  2 593115.5000000              6.408587E-05     
  3 134976.8000000              0.0003369253     
  4  38230.6700000              0.001420648      
  5  12471.5400000              0.005143683      
  6   4501.7430000              0.01648569       
  7   1755.2120000              0.0469856        
  8    727.3039000              0.1162437        
  9    316.3678000              0.2335277        
 10    143.0098000              0.3292837        
 11     66.2180500              0.2440304        
 12     29.9189600              0.07219806       
 13     14.3031800              0.07687806       
 14      6.8394510              0.07852235       
 15      3.0123740              0.01294109       
 16      1.4188080             -0.0003784873     
 17      0.6236240             -2.503203E-05     
 18      0.1340980             -2.421517E-05     
 19      0.0655480              3.462071E-05     
S   19
  1 3960805.0000000            -3.936095E-06     
  2 593115.5000000             -3.060481E-05     
  3 134976.8000000             -0.0001609626     
  4  38230.6700000             -0.0006792348     
  5  12471.5400000             -0.002466182      
  6   4501.7430000             -0.007957629      
  7   1755.2120000             -0.02307248       
  8    727.3039000             -0.05932956       
  9    316.3678000             -0.1299451        
 10    143.0098000             -0.2212352        
 11     66.2180500             -0.2292550        
 12     29.9189600              0.03580733       
 13     14.3031800              0.5107602        
 14      6.8394510              0.5008307        
 15      3.0123740              0.0901183        
 16      1.4188080             -0.006909909      
 17      0.6236240             -0.0001912925     
 18      0.1340980             -0.0006032312     
 19      0.0655480              0.0005621608     
S   19
  1 3960805.0000000             9.462709E-07     
  2 593115.5000000              7.360584E-06     
  3 134976.8000000              3.869935E-05     
  4  38230.6700000              0.000163511      
  5  12471.5400000              0.0005941775     
  6   4501.7430000              0.001927737      
  7   1755.2120000              0.005641731      
  8    727.3039000              0.01487848       
  9    316.3678000              0.03414783       
 10    143.0098000              0.06405794       
 11     66.2180500              0.07557659       
 12     29.9189600             -0.0194607        
 13     14.3031800             -0.2957874        
 14      6.8394510             -0.4521170        
 15      3.0123740              0.1224531        
 16      1.4188080              0.7169756        
 17      0.6236240              0.4092712        
 18      0.1340980              0.02221969       
 19      0.0655480             -0.009011202      
S   19
  1 3960805.0000000            -2.095391E-07     
  2 593115.5000000             -1.629439E-06     
  3 134976.8000000             -8.570592E-06     
  4  38230.6700000             -3.619272E-05     
  5  12471.5400000             -0.0001316146     
  6   4501.7430000             -0.000426681      
  7   1755.2120000             -0.00125027       
  8    727.3039000             -0.003294665      
  9    316.3678000             -0.00758186       
 10    143.0098000             -0.01422864       
 11     66.2180500             -0.01693796       
 12     29.9189600              0.004454298      
 13     14.3031800              0.06867042       
 14      6.8394510              0.1113335        
 15      3.0123740             -0.0390082        
 16      1.4188080             -0.2215755        
 17      0.6236240             -0.2544359        
 18      0.1340980              0.2865866        
 19      0.0655480              0.5755741        
S   19
  1 3960805.0000000            -4.121231E-07     
  2 593115.5000000             -3.282099E-06     
  3 134976.8000000             -1.667433E-05     
  4  38230.6700000             -7.369999E-05     
  5  12471.5400000             -0.0002529495     
  6   4501.7430000             -0.0008801425     
  7   1755.2120000             -0.002365482      
  8    727.3039000             -0.006926354      
  9    316.3678000             -0.01393851       
 10    143.0098000             -0.0314384        
 11     66.2180500             -0.02625749       
 12     29.9189600             -0.01048313       
 13     14.3031800              0.1856472        
 14      6.8394510              0.1524839        
 15      3.0123740              0.07411368       
 16      1.4188080             -1.0180970        
 17      0.6236240              0.2980372        
 18      0.1340980              1.9719890        
 19      0.0655480             -1.1792530        
S   19
  1 3960805.0000000            -6.805493E-07     
  2 593115.5000000             -5.460516E-06     
  3 134976.8000000             -2.743893E-05     
  4  38230.6700000             -0.0001230291     
  5  12471.5400000             -0.0004146269     
  6   4501.7430000             -0.001475151      
  7   1755.2120000             -0.00385914       
  8    727.3039000             -0.01168405       
  9    316.3678000             -0.02257185       
 10    143.0098000             -0.05399759       
 11     66.2180500             -0.04032351       
 12     29.9189600             -0.02742526       
 13     14.3031800              0.3485593        
 14      6.8394510              0.2757818        
 15      3.0123740             -0.05499812       
 16      1.4188080             -2.2925450        
 17      0.6236240              2.6356440        
 18      0.1340980             -0.3379113        
 19      0.0655480             -1.7896070        
S   1
  1      0.0295840              1.0000000        
S   1
  1      0.0133500              1.0000000        
P   15
  1  16205.8600000              0.0000420        
  2   3836.2740000              0.0003730        
  3   1246.0480000              0.0021490        
  4    476.7535000              0.0094450        
  5    202.1895000              0.0332970        
  6     92.0948700              0.0947590        
  7     44.1472000              0.2081440        
  8     21.8546800              0.3318050        
  9     11.0859600              0.3331750        
 10      5.6741080              0.1576010        
 11      2.8231700              0.0214450        
 12      1.3686210             -0.0025580        
 13      0.6444310             -0.0020270        
 14      0.2483820             -0.0003600        
 15      0.0972550              0.0000340        
P   15
  1  16205.8600000             -0.0000150        
  2   3836.2740000             -0.0001290        
  3   1246.0480000             -0.0007480        
  4    476.7535000             -0.0033080        
  5    202.1895000             -0.0118110        
  6     92.0948700             -0.0345330        
  7     44.1472000             -0.0787850        
  8     21.8546800             -0.1321830        
  9     11.0859600             -0.1371950        
 10      5.6741080              0.0270750        
 11      2.8231700              0.3288910        
 12      1.3686210              0.4572800        
 13      0.6444310              0.2889080        
 14      0.2483820              0.0474330        
 15      0.0972550             -0.0035220        
P   15
  1  16205.8600000              0.0000030        
  2   3836.2740000              0.0000300        
  3   1246.0480000              0.0001720        
  4    476.7535000              0.0007620        
  5    202.1895000              0.0027260        
  6     92.0948700              0.0079760        
  7     44.1472000              0.0182870        
  8     21.8546800              0.0307760        
  9     11.0859600              0.0323730        
 10      5.6741080             -0.0099780        
 11      2.8231700             -0.0905290        
 12      1.3686210             -0.1380040        
 13      0.6444310             -0.0779650        
 14      0.2483820              0.2295600        
 15      0.0972550              0.5761220        
P   15
  1  16205.8600000              0.0000040        
  2   3836.2740000              0.0000400        
  3   1246.0480000              0.0002260        
  4    476.7535000              0.0010130        
  5    202.1895000              0.0035750        
  6     92.0948700              0.0106120        
  7     44.1472000              0.0239020        
  8     21.8546800              0.0412790        
  9     11.0859600              0.0414750        
 10      5.6741080             -0.0094580        
 11      2.8231700             -0.1236950        
 12      1.3686210             -0.1743920        
 13      0.6444310             -0.1291700        
 14      0.2483820              0.4003480        
 15      0.0972550              0.6696460        
P   15
  1  16205.8600000              0.0000100        
  2   3836.2740000              0.0000810        
  3   1246.0480000              0.0005120        
  4    476.7535000              0.0020710        
  5    202.1895000              0.0081110        
  6     92.0948700              0.0215570        
  7     44.1472000              0.0553160        
  8     21.8546800              0.0802630        
  9     11.0859600              0.1177300        
 10      5.6741080             -0.0650690        
 11      2.8231700             -0.2829140        
 12      1.3686210             -0.6491660        
 13      0.6444310              0.6925670        
 14      0.2483820              0.9789900        
 15      0.0972550             -0.9213570        
P   1
  1      0.0366330              1.0000000        
P   1
  1      0.0138000              1.0000000        
D   7
  1    100.6630000              0.0035790        
  2     29.8336000              0.0258270        
  3     10.8894000              0.0985590        
  4      4.3935800              0.2383270        
  5      1.8178200              0.3587070        
  6      0.7278270              0.3650920        
  7      0.2712950              0.2337380        
D   7
  1    100.6630000             -0.0034540        
  2     29.8336000             -0.0249250        
  3     10.8894000             -0.0976350        
  4      4.3935800             -0.2366920        
  5      1.8178200             -0.2923500        
  6      0.7278270             -0.0049730        
  7      0.2712950              0.5065880        
D   7
  1    100.6630000              0.0056850        
  2     29.8336000              0.0411710        
  3     10.8894000              0.1693220        
  4      4.3935800              0.3859120        
  5      1.8178200              0.1869090        
  6      0.7278270             -0.6781130        
  7      0.2712950             -0.2582600        
D   1
  1      0.0883090              1.0000000        
D   1
  1      0.0287500              1.0000000        
F   1
  1      2.7382000              1.0000000        
F   1
  1      0.6543000              1.0000000        
F   1
  1      0.2226000              1.0000000        
G   1
  1      1.7335000              1.0000000        
G   1
  1      0.6321300              1.0000000        


name: aug-cc-pVTZ
description: VTZ2PD Valence Triple Zeta + Polarization + Diffuse
elt: Fe
data:
IRON
S   19
  1 4316265.0000000             8.048803E-06     
  2 646342.4000000              6.258306E-05     
  3 147089.7000000              0.0003290239     
  4  41661.5200000              0.001387355      
  5  13590.7700000              0.005023256      
  6   4905.7500000              0.0161014        
  7   1912.7460000              0.04590034       
  8    792.6043000              0.1136154        
  9    344.8065000              0.2283869        
 10    155.8999000              0.3221159        
 11     72.2309100              0.2383661        
 12     32.7250600              0.07404667       
 13     15.6676200              0.09214197       
 14      7.5034830              0.0933979        
 15      3.3122230              0.01573965       
 16      1.5584710             -0.0004186682     
 17      0.6839140              5.376318E-05     
 18      0.1467570             -3.816654E-05     
 19      0.0705830              4.319603E-05     
S   19
  1 4316265.0000000            -4.155954E-06     
  2 646342.4000000             -3.231401E-05     
  3 147089.7000000             -0.0001699525     
  4  41661.5200000             -0.0007171369     
  5  13590.7700000             -0.002603625      
  6   4905.7500000             -0.008399109      
  7   1912.7460000             -0.02434109       
  8    792.6043000             -0.06251948       
  9    344.8065000             -0.1365929        
 10    155.8999000             -0.2312707        
 11     72.2309100             -0.2383734        
 12     32.7250600              0.03123837       
 13     15.6676200              0.5086818        
 14      7.5034830              0.4987695        
 15      3.3122230              0.09033552       
 16      1.5584710             -0.006005337      
 17      0.6839140              0.0002312454     
 18      0.1467570             -0.000564368      
 19      0.0705830              0.000499226      
S   19
  1 4316265.0000000             9.532178E-07     
  2 646342.4000000              7.414605E-06     
  3 147089.7000000              3.898393E-05     
  4  41661.5200000              0.0001647152     
  5  13590.7700000              0.000598598      
  6   4905.7500000              0.00194239       
  7   1912.7460000              0.005687237      
  8    792.6043000              0.01501329       
  9    344.8065000              0.03452455       
 10    155.8999000              0.0649582        
 11     72.2309100              0.07716194       
 12     32.7250600             -0.01873411       
 13     15.6676200             -0.3009185        
 14      7.5034830             -0.4554661        
 15      3.3122230              0.1286463        
 16      1.5584710              0.7183316        
 17      0.6839140              0.4051743        
 18      0.1467570              0.02168227       
 19      0.0705830             -0.008343566      
S   19
  1 4316265.0000000            -2.063008E-07     
  2 646342.4000000             -1.604169E-06     
  3 147089.7000000             -8.438437E-06     
  4  41661.5200000             -3.563151E-05     
  5  13590.7700000             -0.0001295998     
  6   4905.7500000             -0.0004201534     
  7   1912.7460000             -0.001231954      
  8    792.6043000             -0.003248922      
  9    344.8065000             -0.007493717      
 10    155.8999000             -0.01410102       
 11     72.2309100             -0.0169160        
 12     32.7250600              0.004218996      
 13     15.6676200              0.0683381        
 14      7.5034830              0.1098201        
 15      3.3122230             -0.04009005       
 16      1.5584710             -0.2174739        
 17      0.6839140             -0.2465135        
 18      0.1467570              0.2731435        
 19      0.0705830              0.5748321        
S   19
  1 4316265.0000000            -4.009367E-07     
  2 646342.4000000             -3.189255E-06     
  3 147089.7000000             -1.623079E-05     
  4  41661.5200000             -7.15792E-05      
  5  13590.7700000             -0.0002463958     
  6   4905.7500000             -0.0008544907     
  7   1912.7460000             -0.002307593      
  8    792.6043000             -0.006728292      
  9    344.8065000             -0.01366165       
 10    155.8999000             -0.0306224        
 11     72.2309100             -0.02631137       
 12     32.7250600             -0.009760183      
 13     15.6676200              0.1801906        
 14      7.5034830              0.1529634        
 15      3.3122230              0.05505413       
 16      1.5584710             -0.9551364        
 17      0.6839140              0.2586813        
 18      0.1467570              1.8340490        
 19      0.0705830             -0.9333240        
S   19
  1 4316265.0000000            -6.966042E-07     
  2 646342.4000000             -5.568036E-06     
  3 147089.7000000             -2.813684E-05     
  4  41661.5200000             -0.0001252418     
  5  13590.7700000             -0.0004260787     
  6   4905.7500000             -0.00149906       
  7   1912.7460000             -0.003979103      
  8    792.6043000             -0.01185686       
  9    344.8065000             -0.02346734       
 10    155.8999000             -0.05467736       
 11     72.2309100             -0.0439382        
 12     32.7250600             -0.02376103       
 13     15.6676200              0.3435928        
 14      7.5034830              0.3192960        
 15      3.3122230             -0.1343207        
 16      1.5584710             -2.2210200        
 17      0.6839140              2.5711420        
 18      0.1467570             -0.2292404        
 19      0.0705830             -1.8324520        
S   1
  1      0.0314490              1.0000000        
S   1
  1      0.0140100              1.0000000        
P   15
  1  17745.6900000              0.0000410        
  2   4200.7210000              0.0003690        
  3   1364.4290000              0.0021290        
  4    522.0806000              0.0093690        
  5    221.4595000              0.0330970        
  6    100.9096000              0.0944310        
  7     48.4011500              0.2080770        
  8     23.9853600              0.3323330        
  9     12.1825000              0.3329870        
 10      6.2422980              0.1568430        
 11      3.1109440              0.0215490        
 12      1.5099580             -0.0020950        
 13      0.7108450             -0.0017390        
 14      0.2731900             -0.0003000        
 15      0.1042330              0.0000290        
P   15
  1  17745.6900000             -0.0000150        
  2   4200.7210000             -0.0001300        
  3   1364.4290000             -0.0007510        
  4    522.0806000             -0.0033290        
  5    221.4595000             -0.0119120        
  6    100.9096000             -0.0349330        
  7     48.4011500             -0.0799890        
  8     23.9853600             -0.1346360        
  9     12.1825000             -0.1385980        
 10      6.2422980              0.0302780        
 11      3.1109440              0.3332160        
 12      1.5099580              0.4561530        
 13      0.7108450              0.2850510        
 14      0.2731900              0.0461440        
 15      0.1042330             -0.0032490        
P   15
  1  17745.6900000              0.0000030        
  2   4200.7210000              0.0000290        
  3   1364.4290000              0.0001650        
  4    522.0806000              0.0007340        
  5    221.4595000              0.0026260        
  6    100.9096000              0.0077250        
  7     48.4011500              0.0177330        
  8     23.9853600              0.0300550        
  9     12.1825000              0.0310940        
 10      6.2422980             -0.0100480        
 11      3.1109440             -0.0883060        
 12      1.5099580             -0.1298240        
 13      0.7108450             -0.0769370        
 14      0.2731900              0.2126610        
 15      0.1042330              0.5730610        
P   15
  1  17745.6900000              0.0000050        
  2   4200.7210000              0.0000420        
  3   1364.4290000              0.0002410        
  4    522.0806000              0.0010850        
  5    221.4595000              0.0038310        
  6    100.9096000              0.0114230        
  7     48.4011500              0.0257920        
  8     23.9853600              0.0448180        
  9     12.1825000              0.0445980        
 10      6.2422980             -0.0111770        
 11      3.1109440             -0.1381340        
 12      1.5099580             -0.1882850        
 13      0.7108450             -0.1073990        
 14      0.2731900              0.4448630        
 15      0.1042330              0.6402390        
P   15
  1  17745.6900000              0.0000110        
  2   4200.7210000              0.0000870        
  3   1364.4290000              0.0005410        
  4    522.0806000              0.0022260        
  5    221.4595000              0.0085930        
  6    100.9096000              0.0233390        
  7     48.4011500              0.0588440        
  8     23.9853600              0.0882890        
  9     12.1825000              0.1231920        
 10      6.2422980             -0.0631860        
 11      3.1109440             -0.3549020        
 12      1.5099580             -0.6197080        
 13      0.7108450              0.8129860        
 14      0.2731900              0.8191180        
 15      0.1042330             -0.9017050        
P   1
  1      0.0382910              1.0000000        
P   1
  1      0.0140700              1.0000000        
D   7
  1    113.3440000              0.0035300        
  2     33.6414000              0.0257840        
  3     12.3310000              0.0991190        
  4      4.9947800              0.2390730        
  5      2.0728000              0.3571990        
  6      0.8307530              0.3621880        
  7      0.3091780              0.2364610        
D   7
  1    113.3440000             -0.0038900        
  2     33.6414000             -0.0284420        
  3     12.3310000             -0.1124290        
  4      4.9947800             -0.2742570        
  5      2.0728000             -0.3155460        
  6      0.8307530              0.0571090        
  7      0.3091780              0.5636040        
D   7
  1    113.3440000              0.0056950        
  2     33.6414000              0.0420010        
  3     12.3310000              0.1735400        
  4      4.9947800              0.4101570        
  5      2.0728000              0.1132520        
  6      0.8307530             -0.7696800        
  7      0.3091780             -0.0316430        
D   1
  1      0.1001300              1.0000000        
D   1
  1      0.0324300              1.0000000        
F   1
  1      3.2758000              1.0000000        
F   1
  1      0.7920000              1.0000000        
F   1
  1      0.2749000              1.0000000        
G   1
  1      2.0897000              1.0000000        
G   1
  1      0.7871600              1.0000000        


name: aug-cc-pVTZ
description: VTZ2PD Valence Triple Zeta + Polarization + Diffuse
elt: Co
data:
COBALT
S   19
  1 4675675.0000000             7.979026E-06     
  2 700161.5000000              6.204071E-05     
  3 159337.3000000              0.0003261735     
  4  45130.4600000              0.00137536       
  5  14722.3800000              0.004979997      
  6   5314.2220000              0.01596434       
  7   2072.0180000              0.04552086       
  8    858.6188000              0.1127385        
  9    373.5497000              0.2268262        
 10    168.9229000              0.3203074        
 11     78.2963900              0.2374021        
 12     35.5212300              0.07477686       
 13     17.0414400              0.09581872       
 14      8.1730000              0.09649911       
 15      3.6103180              0.01623362       
 16      1.6970470             -0.0004535497     
 17      0.7435320              5.113519E-05     
 18      0.1583440             -4.174508E-05     
 19      0.0750360              4.027577E-05     
S   19
  1 4675675.0000000            -4.20024E-06      
  2 700161.5000000             -3.265831E-05     
  3 159337.3000000             -0.0001717644     
  4  45130.4600000             -0.0007247853     
  5  14722.3800000             -0.002631462      
  6   5314.2220000             -0.008489272      
  7   2072.0180000             -0.02460619       
  8    858.6188000             -0.06322059       
  9    373.5497000             -0.1381957        
 10    168.9229000             -0.2340680        
 11     78.2963900             -0.2415002        
 12     35.5212300              0.03035312       
 13     17.0414400              0.5101341        
 14      8.1730000              0.4974939        
 15      3.6103180              0.08970746       
 16      1.6970470             -0.005941034      
 17      0.7435320              0.0002175362     
 18      0.1583440             -0.0005480155     
 19      0.0750360              0.0004525804     
S   19
  1 4675675.0000000             9.592692E-07     
  2 700161.5000000              7.461851E-06     
  3 159337.3000000              3.923137E-05     
  4  45130.4600000              0.0001657706     
  5  14722.3800000              0.0006024335     
  6   5314.2220000              0.001955217      
  7   2072.0180000              0.005726326      
  8    858.6188000              0.01512984       
  9    373.5497000              0.03483973       
 10    168.9229000              0.06570351       
 11     78.2963900              0.07831503       
 12     35.5212300             -0.01877037       
 13     17.0414400             -0.3062663        
 14      8.1730000             -0.4566429        
 15      3.6103180              0.1378169        
 16      1.6970470              0.7193676        
 17      0.7435320              0.3992579        
 18      0.1583440              0.02079933       
 19      0.0750360             -0.007820663      
S   19
  1 4675675.0000000            -2.02884E-07      
  2 700161.5000000             -1.57758E-06      
  3 159337.3000000             -8.298813E-06     
  4  45130.4600000             -3.504154E-05     
  5  14722.3800000             -0.0001274655     
  6   5314.2220000             -0.0004132695     
  7   2072.0180000             -0.001212261      
  8    858.6188000             -0.003199318      
  9    373.5497000             -0.007390972      
 10    168.9229000             -0.01393649       
 11     78.2963900             -0.01678575       
 12     35.5212300              0.004149856      
 13     17.0414400              0.06797646       
 14      8.1730000              0.1075807        
 15      3.6103180             -0.04166022       
 16      1.6970470             -0.2128044        
 17      0.7435320             -0.2381360        
 18      0.1583440              0.2650788        
 19      0.0750360              0.5722774        
S   19
  1 4675675.0000000            -3.863053E-07     
  2 700161.5000000             -3.068788E-06     
  3 159337.3000000             -1.564826E-05     
  4  45130.4600000             -6.883588E-05     
  5  14722.3800000             -0.0002377367     
  6   5314.2220000             -0.0008213173     
  7   2072.0180000             -0.00222963       
  8    858.6188000             -0.006467841      
  9    373.5497000             -0.01325463       
 10    168.9229000             -0.02946686       
 11     78.2963900             -0.02599066       
 12     35.5212300             -0.008499807      
 13     17.0414400              0.1727316        
 14      8.1730000              0.1512189        
 15      3.6103180              0.03554509       
 16      1.6970470             -0.8829353        
 17      0.7435320              0.2143530        
 18      0.1583440              1.7118650        
 19      0.0750360             -0.7140037        
S   19
  1 4675675.0000000            -7.174687E-07     
  2 700161.5000000             -5.722157E-06     
  3 159337.3000000             -2.90097E-05      
  4  45130.4600000             -0.0001285845     
  5  14722.3800000             -0.0004398434     
  6   5314.2220000             -0.001537586      
  7   2072.0180000             -0.004116022      
  8    858.6188000             -0.01215514       
  9    373.5497000             -0.02440441       
 10    168.9229000             -0.05601976       
 11     78.2963900             -0.04689449       
 12     35.5212300             -0.02168828       
 13     17.0414400              0.3477789        
 14      8.1730000              0.3500597        
 15      3.6103180             -0.2048551        
 16      1.6970470             -2.1632110        
 17      0.7435320              2.5240910        
 18      0.1583440             -0.1590011        
 19      0.0750360             -1.8252670        
S   1
  1      0.0330910              1.0000000        
S   1
  1      0.0145900              1.0000000        
P   15
  1  19267.7800000              0.0000410        
  2   4560.9860000              0.0003690        
  3   1481.4360000              0.0021280        
  4    566.8671000              0.0093720        
  5    240.4910000              0.0331550        
  6    109.6105000              0.0947520        
  7     52.5949100              0.2090930        
  8     26.0836100              0.3337220        
  9     13.2614300              0.3322080        
 10      6.7997780              0.1546130        
 11      3.3934140              0.0209020        
 12      1.6487660             -0.0020240        
 13      0.7762820             -0.0016970        
 14      0.2980030             -0.0002800        
 15      0.1136180              0.0000260        
P   15
  1  19267.7800000             -0.0000150        
  2   4560.9860000             -0.0001310        
  3   1481.4360000             -0.0007580        
  4    566.8671000             -0.0033630        
  5    240.4910000             -0.0120540        
  6    109.6105000             -0.0354240        
  7     52.5949100             -0.0812870        
  8     26.0836100             -0.1369080        
  9     13.2614300             -0.1390190        
 10      6.7997780              0.0354680        
 11      3.3934140              0.3384980        
 12      1.6487660              0.4544330        
 13      0.7762820              0.2797930        
 14      0.2980030              0.0447760        
 15      0.1136180             -0.0031510        
P   15
  1  19267.7800000             -0.0000030        
  2   4560.9860000             -0.0000290        
  3   1481.4360000             -0.0001670        
  4    566.8671000             -0.0007420        
  5    240.4910000             -0.0026620        
  6    109.6105000             -0.0078410        
  7     52.5949100             -0.0180510        
  8     26.0836100             -0.0305800        
  9     13.2614300             -0.0313120        
 10      6.7997780              0.0113110        
 11      3.3934140              0.0899900        
 12      1.6487660              0.1307330        
 13      0.7762820              0.0718080        
 14      0.2980030             -0.2216580        
 15      0.1136180             -0.5710250        
P   15
  1  19267.7800000              0.0000050        
  2   4560.9860000              0.0000450        
  3   1481.4360000              0.0002550        
  4    566.8671000              0.0011440        
  5    240.4910000              0.0040610        
  6    109.6105000              0.0120950        
  7     52.5949100              0.0274760        
  8     26.0836100              0.0475570        
  9     13.2614300              0.0473020        
 10      6.7997780             -0.0144180        
 11      3.3934140             -0.1500620        
 12      1.6487660             -0.1990920        
 13      0.7762820             -0.0797830        
 14      0.2980030              0.4590350        
 15      0.1136180              0.6174950        
P   15
  1  19267.7800000              0.0000110        
  2   4560.9860000              0.0000920        
  3   1481.4360000              0.0005630        
  4    566.8671000              0.0023540        
  5    240.4910000              0.0089760        
  6    109.6105000              0.0248100        
  7     52.5949100              0.0615800        
  8     26.0836100              0.0947770        
  9     13.2614300              0.1266930        
 10      6.7997780             -0.0637540        
 11      3.3934140             -0.4185660        
 12      1.6487660             -0.5678650        
 13      0.7762820              0.8754060        
 14      0.2980030              0.7182630        
 15      0.1136180             -0.8747220        
P   1
  1      0.0416240              1.0000000        
P   1
  1      0.0152500              1.0000000        
D   7
  1    126.2640000              0.0035100        
  2     37.5226000              0.0258840        
  3     13.8021000              0.1000580        
  4      5.6092700              0.2405470        
  5      2.3336900              0.3568430        
  6      0.9364150              0.3595790        
  7      0.3482370              0.2366290        
D   7
  1    126.2640000             -0.0040670        
  2     37.5226000             -0.0300530        
  3     13.8021000             -0.1196200        
  4      5.6092700             -0.2915130        
  5      2.3336900             -0.3180480        
  6      0.9364150              0.0916980        
  7      0.3482370              0.5608230        
D   7
  1    126.2640000              0.0054700        
  2     37.5226000              0.0408130        
  3     13.8021000              0.1689780        
  4      5.6092700              0.4093590        
  5      2.3336900              0.0863160        
  6      0.9364150             -0.7690080        
  7      0.3482370              0.0033550        
D   1
  1      0.1123530              1.0000000        
D   1
  1      0.0362500              1.0000000        
F   1
  1      3.8137000              1.0000000        
F   1
  1      0.9309000              1.0000000        
F   1
  1      0.3271500              1.0000000        
G   1
  1      2.4709000              1.0000000        
G   1
  1      0.9581400              1.0000000        


name: aug-cc-pVTZ
description: VTZ2PD Valence Triple Zeta + Polarization + Diffuse
elt: Ni
data:
NICKEL
S   19
  1 5045991.0000000             8.208996E-06     
  2 755614.2000000              6.382884E-05     
  3 171956.8000000              0.00033558       
  4  48704.7900000              0.001415075      
  5  15888.4100000              0.005124444      
  6   5735.1230000              0.01643256       
  7   2236.1370000              0.04689398       
  8    926.6468000              0.1163534        
  9    403.1743000              0.2350511        
 10    182.3476000              0.3350184        
 11     84.5488500              0.2534779        
 12     38.3963400              0.07300901       
 13     18.4585900              0.06184244       
 14      8.8635480              0.06302956       
 15      3.9162270              0.01008063       
 16      1.8388700             -0.0002244528     
 17      0.8043620             -5.932767E-05     
 18      0.1697970             -1.158562E-05     
 19      0.0793060              8.115109E-06     
S   19
  1 5045991.0000000            -3.657849E-06     
  2 755614.2000000             -2.844094E-05     
  3 171956.8000000             -0.0001495928     
  4  48704.7900000             -0.0006313009     
  5  15888.4100000             -0.002293052      
  6   5735.1230000             -0.007405123      
  7   2236.1370000             -0.02152032       
  8    926.6468000             -0.05560974       
  9    403.1743000             -0.1230176        
 10    182.3476000             -0.2130104        
 11     84.5488500             -0.2265837        
 12     38.3963400              0.03546796       
 13     18.4585900              0.5181697        
 14      8.8635480              0.5025630        
 15      3.9162270              0.08955674       
 16      1.8388700             -0.007031311      
 17      0.8043620             -0.0004339167     
 18      0.1697970             -0.0005831711     
 19      0.0793060              0.0004228788     
S   19
  1 5045991.0000000             9.594149E-07     
  2 755614.2000000              7.462614E-06     
  3 171956.8000000              3.923843E-05     
  4  48704.7900000              0.0001657868     
  5  15888.4100000              0.0006025905     
  6   5735.1230000              0.001955662      
  7   2236.1370000              0.005730391      
  8    926.6468000              0.01514756       
  9    403.1743000              0.03493499       
 10    182.3476000              0.06598072       
 11     84.5488500              0.07893083       
 12     38.3963400             -0.01906249       
 13     18.4585900             -0.3095921        
 14      8.8635480             -0.4558610        
 15      3.9162270              0.1482931        
 16      1.8388700              0.7134039        
 17      0.8043620              0.3976063        
 18      0.1697970              0.02295523       
 19      0.0793060             -0.009151758      
S   19
  1 5045991.0000000            -2.013753E-07     
  2 755614.2000000             -1.565832E-06     
  3 171956.8000000             -8.237182E-06     
  4  48704.7900000             -3.478105E-05     
  5  15888.4100000             -0.0001265265     
  6   5735.1230000             -0.0004102589     
  7   2236.1370000             -0.001203834      
  8    926.6468000             -0.003179062      
  9    403.1743000             -0.007353828      
 10    182.3476000             -0.01389022       
 11     84.5488500             -0.01677875       
 12     38.3963400              0.004163378      
 13     18.4585900              0.06814703       
 14      8.8635480              0.1061029        
 15      3.9162270             -0.0433998        
 16      1.8388700             -0.2094950        
 17      0.8043620             -0.2310271        
 18      0.1697970              0.2590532        
 19      0.0793060              0.5691426        
S   19
  1 5045991.0000000            -3.924245E-07     
  2 755614.2000000             -3.113909E-06     
  3 171956.8000000             -1.590447E-05     
  4  48704.7900000             -6.981394E-05     
  5  15888.4100000             -0.0002417848     
  6   5735.1230000             -0.0008326195     
  7   2236.1370000             -0.002270294      
  8    926.6468000             -0.006557427      
  9    403.1743000             -0.01354288       
 10    182.3476000             -0.02989768       
 11     84.5488500             -0.02693106       
 12     38.3963400             -0.007827693      
 13     18.4585900              0.1741667        
 14      8.8635480              0.1595468        
 15      3.9162270              0.0199555        
 16      1.8388700             -0.8897000        
 17      0.8043620              0.2486892        
 18      0.1697970              1.6130120        
 19      0.0793060             -0.5990277        
S   19
  1 5045991.0000000            -7.303633E-07     
  2 755614.2000000             -5.802013E-06     
  3 171956.8000000             -2.958547E-05     
  4  48704.7900000             -0.0001301499     
  5  15888.4100000             -0.0004495332     
  6   5735.1230000             -0.001553314      
  7   2236.1370000             -0.004219884      
  8    926.6468000             -0.01225419       
  9    403.1743000             -0.02519707       
 10    182.3476000             -0.05621717       
 11     84.5488500             -0.05022229       
 12     38.3963400             -0.01677412       
 13     18.4585900              0.3388021        
 14      8.8635480              0.3984975        
 15      3.9162270             -0.3032053        
 16      1.8388700             -2.0796190        
 17      0.8043620              2.5005420        
 18      0.1697970             -0.2169002        
 19      0.0793060             -1.7091780        
S   1
  1      0.0346770              1.0000000        
S   1
  1      0.0151600              1.0000000        
P   15
  1  21027.9200000              0.0000410        
  2   4977.5600000              0.0003630        
  3   1616.7400000              0.0020970        
  4    618.6718000              0.0092500        
  5    262.5183000              0.0327960        
  6    119.6907000              0.0940040        
  7     57.4658500              0.2082800        
  8     28.5282900              0.3336540        
  9     14.5214800              0.3329040        
 10      7.4538500              0.1553720        
 11      3.7235530              0.0208590        
 12      1.8098130             -0.0024400        
 13      0.8513360             -0.0019980        
 14      0.3248140             -0.0003380        
 15      0.1195220              0.0000350        
P   15
  1  21027.9200000             -0.0000150        
  2   4977.5600000             -0.0001290        
  3   1616.7400000             -0.0007490        
  4    618.6718000             -0.0033280        
  5    262.5183000             -0.0119470        
  6    119.6907000             -0.0352420        
  7     57.4658500             -0.0812040        
  8     28.5282900             -0.1374930        
  9     14.5214800             -0.1392260        
 10      7.4538500              0.0360160        
 11      3.7235530              0.3391280        
 12      1.8098130              0.4504720        
 13      0.8513360              0.2817830        
 14      0.3248140              0.0478980        
 15      0.1195220             -0.0029870        
P   15
  1  21027.9200000              0.0000030        
  2   4977.5600000              0.0000260        
  3   1616.7400000              0.0001520        
  4    618.6718000              0.0006780        
  5    262.5183000              0.0024270        
  6    119.6907000              0.0072010        
  7     57.4658500              0.0165780        
  8     28.5282900              0.0283920        
  9     14.5214800              0.0285990        
 10      7.4538500             -0.0101320        
 11      3.7235530             -0.0829120        
 12      1.8098130             -0.1159980        
 13      0.8513360             -0.0727950        
 14      0.3248140              0.1956400        
 15      0.1195220              0.5670990        
P   15
  1  21027.9200000              0.0000060        
  2   4977.5600000              0.0000530        
  3   1616.7400000              0.0003050        
  4    618.6718000              0.0013640        
  5    262.5183000              0.0048760        
  6    119.6907000              0.0145030        
  7     57.4658500              0.0332960        
  8     28.5282900              0.0574820        
  9     14.5214800              0.0587020        
 10      7.4538500             -0.0199040        
 11      3.7235530             -0.1946950        
 12      1.8098130             -0.2396130        
 13      0.8513360             -0.0022320        
 14      0.3248140              0.5214350        
 15      0.1195220              0.5455400        
P   15
  1  21027.9200000              0.0000110        
  2   4977.5600000              0.0000950        
  3   1616.7400000              0.0005800        
  4    618.6718000              0.0024510        
  5    262.5183000              0.0092820        
  6    119.6907000              0.0260090        
  7     57.4658500              0.0640960        
  8     28.5282900              0.1007100        
  9     14.5214800              0.1325390        
 10      7.4538500             -0.0650890        
 11      3.7235530             -0.4897560        
 12      1.8098130             -0.4984550        
 13      0.8513360              0.9663570        
 14      0.3248140              0.5283790        
 15      0.1195220             -0.8676760        
P   1
  1      0.0423660              1.0000000        
P   1
  1      0.0150200              1.0000000        
D   7
  1    140.2527000              0.0033760        
  2     41.7261000              0.0251410        
  3     15.3981000              0.0977460        
  4      6.2771000              0.2347090        
  5      2.6185000              0.3469450        
  6      1.0526000              0.3510680        
  7      0.3916000              0.2502550        
D   7
  1    140.2527000             -0.0034950        
  2     41.7261000             -0.0260150        
  3     15.3981000             -0.1038760        
  4      6.2771000             -0.2520700        
  5      2.6185000             -0.2945800        
  6      1.0526000              0.0011520        
  7      0.3916000              0.4385890        
D   7
  1    140.2527000              0.0050520        
  2     41.7261000              0.0380870        
  3     15.3981000              0.1561130        
  4      6.2771000              0.3861560        
  5      2.6185000              0.1756050        
  6      1.0526000             -0.6268070        
  7      0.3916000             -0.3427750        
D   1
  1      0.1262000              1.0000000        
D   1
  1      0.0406700              1.0000000        
F   1
  1      4.5046000              1.0000000        
F   1
  1      1.1286000              1.0000000        
F   1
  1      0.4083000              1.0000000        
G   1
  1      2.9771000              1.0000000        
G   1
  1      1.2048500              1.0000000        


name: aug-cc-pVTZ
description: VTZ2PD Valence Triple Zeta + Polarization + Diffuse
elt: Cu
data:
COPPER
S   19
  1 5430321.0000000             7.801026E-06     
  2 813166.5000000              6.065666E-05     
  3 185054.4000000              0.0003188964     
  4  52414.6600000              0.001344687      
  5  17098.6800000              0.00486905       
  6   6171.9940000              0.01561013       
  7   2406.4810000              0.04452077       
  8    997.2584000              0.1103111        
  9    433.9289000              0.2220342        
 10    196.2869000              0.3133739        
 11     91.0428000              0.2315121        
 12     41.3842500              0.0764092        
 13     19.9327800              0.1103818        
 14      9.5818910              0.1094372        
 15      4.2345160              0.01836311       
 16      1.9858140             -0.0006043084     
 17      0.8670830              5.092245E-05     
 18      0.1813390             -5.54073E-05      
 19      0.0836570              3.969482E-05     
S   19
  1 5430321.0000000            -4.404706E-06     
  2 813166.5000000             -3.424801E-05     
  3 185054.4000000             -0.0001801238     
  4  52414.6600000             -0.0007600455     
  5  17098.6800000             -0.002759348      
  6   6171.9940000             -0.00890097       
  7   2406.4810000             -0.02579378       
  8    997.2584000             -0.06623861       
  9    433.9289000             -0.1445927        
 10    196.2869000             -0.2440110        
 11     91.0428000             -0.2504837        
 12     41.3842500              0.02852577       
 13     19.9327800              0.5115874        
 14      9.5818910              0.4928061        
 15      4.2345160              0.08788437       
 16      1.9858140             -0.005820281      
 17      0.8670830              0.0002013508     
 18      0.1813390             -0.0005182553     
 19      0.0836570              0.0003731503     
S   19
  1 5430321.0000000             9.704682E-07     
  2 813166.5000000              7.549245E-06     
  3 185054.4000000              3.968892E-05     
  4  52414.6600000              0.00016772       
  5  17098.6800000              0.0006095101     
  6   6171.9940000              0.001978846      
  7   2406.4810000              0.005798049      
  8    997.2584000              0.01534158       
  9    433.9289000              0.03540484       
 10    196.2869000              0.06702098       
 11     91.0428000              0.08026945       
 12     41.3842500             -0.01927231       
 13     19.9327800             -0.3160129        
 14      9.5818910             -0.4573162        
 15      4.2345160              0.1550841        
 16      1.9858140              0.7202872        
 17      0.8670830              0.3885122        
 18      0.1813390              0.01924326       
 19      0.0836570             -0.007103807      
S   19
  1 5430321.0000000            -1.959354E-07     
  2 813166.5000000             -1.523472E-06     
  3 185054.4000000             -8.014808E-06     
  4  52414.6600000             -3.383992E-05     
  5  17098.6800000             -0.0001231191     
  6   6171.9940000             -0.0003992085     
  7   2406.4810000             -0.0011719        
  8    997.2584000             -0.003096141      
  9    433.9289000             -0.007171993      
 10    196.2869000             -0.01356621       
 11     91.0428000             -0.01643989       
 12     41.3842500              0.004107628      
 13     19.9327800              0.06693964       
 14      9.5818910              0.1028221        
 15      4.2345160             -0.04422945       
 16      1.9858140             -0.2031191        
 17      0.8670830             -0.2230022        
 18      0.1813390              0.2517975        
 19      0.0836570              0.5650091        
S   19
  1 5430321.0000000            -3.532229E-07     
  2 813166.5000000             -2.798812E-06     
  3 185054.4000000             -1.432517E-05     
  4  52414.6600000             -6.270946E-05     
  5  17098.6800000             -0.000217949      
  6   6171.9940000             -0.0007474316     
  7   2406.4810000             -0.002049271      
  8    997.2584000             -0.005885203      
  9    433.9289000             -0.01226885       
 10    196.2869000             -0.02683147       
 11     91.0428000             -0.02479261       
 12     41.3842500             -0.005984746      
 13     19.9327800              0.1557124        
 14      9.5818910              0.1436683        
 15      4.2345160              0.008374103      
 16      1.9858140             -0.7460711        
 17      0.8670830              0.1244367        
 18      0.1813390              1.5101100        
 19      0.0836570             -0.3477122        
S   19
  1 5430321.0000000            -7.508267E-07     
  2 813166.5000000             -5.972018E-06     
  3 185054.4000000             -3.039682E-05     
  4  52414.6600000             -0.0001340405     
  5  17098.6800000             -0.0004615778     
  6   6171.9940000             -0.001601064      
  7   2406.4810000             -0.004330942      
  8    997.2584000             -0.01265434       
  9    433.9289000             -0.02586864       
 10    196.2869000             -0.05835428       
 11     91.0428000             -0.05132322       
 12     41.3842500             -0.01908953       
 13     19.9327800              0.3586116        
 14      9.5818910              0.3885818        
 15      4.2345160             -0.3057106        
 16      1.9858140             -2.0698960        
 17      0.8670830              2.4317740        
 18      0.1813390             -0.02121974       
 19      0.0836570             -1.8202510        
S   1
  1      0.0362670              1.0000000        
S   1
  1      0.0157200              1.0000000        
P   15
  1  22760.5700000              0.0000400        
  2   5387.6790000              0.0003610        
  3   1749.9450000              0.0020830        
  4    669.6653000              0.0091970        
  5    284.1948000              0.0326600        
  6    129.6077000              0.0937950        
  7     62.2541500              0.2082740        
  8     30.9296400              0.3339930        
  9     15.7582700              0.3324930        
 10      8.0942110              0.1547280        
 11      4.0469210              0.0212710        
 12      1.9678690             -0.0016900        
 13      0.9252950             -0.0015160        
 14      0.3529920             -0.0002420        
 15      0.1273070              0.0000230        
P   15
  1  22760.5700000             -0.0000150        
  2   5387.6790000             -0.0001310        
  3   1749.9450000             -0.0007550        
  4    669.6653000             -0.0033590        
  5    284.1948000             -0.0120810        
  6    129.6077000             -0.0357030        
  7     62.2541500             -0.0825020        
  8     30.9296400             -0.1398900        
  9     15.7582700             -0.1407290        
 10      8.0942110              0.0387660        
 11      4.0469210              0.3426950        
 12      1.9678690              0.4523100        
 13      0.9252950              0.2770540        
 14      0.3529920              0.0438850        
 15      0.1273070             -0.0028020        
P   15
  1  22760.5700000              0.0000030        
  2   5387.6790000              0.0000250        
  3   1749.9450000              0.0001470        
  4    669.6653000              0.0006560        
  5    284.1948000              0.0023510        
  6    129.6077000              0.0070040        
  7     62.2541500              0.0161310        
  8     30.9296400              0.0277700        
  9     15.7582700              0.0275670        
 10      8.0942110             -0.0101150        
 11      4.0469210             -0.0810090        
 12      1.9678690             -0.1104090        
 13      0.9252950             -0.0717320        
 14      0.3529920              0.1879300        
 15      0.1273070              0.5646290        
P   15
  1  22760.5700000              0.0000050        
  2   5387.6790000              0.0000490        
  3   1749.9450000              0.0002780        
  4    669.6653000              0.0012530        
  5    284.1948000              0.0044470        
  6    129.6077000              0.0133700        
  7     62.2541500              0.0304690        
  8     30.9296400              0.0534470        
  9     15.7582700              0.0526390        
 10      8.0942110             -0.0168810        
 11      4.0469210             -0.1794480        
 12      1.9678690             -0.2095880        
 13      0.9252950             -0.0396330        
 14      0.3529920              0.5021300        
 15      0.1273070              0.5811110        
P   15
  1  22760.5700000              0.0000110        
  2   5387.6790000              0.0000960        
  3   1749.9450000              0.0005900        
  4    669.6653000              0.0024840        
  5    284.1948000              0.0094630        
  6    129.6077000              0.0264530        
  7     62.2541500              0.0656890        
  8     30.9296400              0.1027320        
  9     15.7582700              0.1370410        
 10      8.0942110             -0.0709610        
 11      4.0469210             -0.5047080        
 12      1.9678690             -0.4780560        
 13      0.9252950              0.9428920        
 14      0.3529920              0.5446990        
 15      0.1273070             -0.8327660        
P   1
  1      0.0443560              1.0000000        
P   1
  1      0.0154500              1.0000000        
D   7
  1    173.8970000              0.0027000        
  2     51.8869000              0.0209090        
  3     19.3419000              0.0844080        
  4      7.9757200              0.2139990        
  5      3.3982300              0.3359800        
  6      1.4093200              0.3573010        
  7      0.5488580              0.2645780        
D   7
  1    173.8970000             -0.0033630        
  2     51.8869000             -0.0260790        
  3     19.3419000             -0.1082310        
  4      7.9757200             -0.2822170        
  5      3.3982300             -0.3471900        
  6      1.4093200              0.0267110        
  7      0.5488580              0.4920470        
D   7
  1    173.8970000              0.0041330        
  2     51.8869000              0.0330850        
  3     19.3419000              0.1383360        
  4      7.9757200              0.3901660        
  5      3.3982300              0.1698420        
  6      1.4093200             -0.6830180        
  7      0.5488580             -0.2657970        
D   1
  1      0.1901990              1.0000000        
D   1
  1      0.0659100              1.0000000        
F   1
  1      5.0821000              1.0000000        
F   1
  1      1.2797000              1.0000000        
F   1
  1      0.4617200              1.0000000        
G   1
  1      3.4835000              1.0000000        
G   1
  1      1.4597900              1.0000000        


name: aug-cc-pVTZ
description: VTZ2PD Valence Triple Zeta + Polarization + Diffuse
elt: Zn
data:
ZINC
S   19
  1 5820021.0000000             8.549241E-06     
  2 871523.4000000              6.64741E-05      
  3 198335.0000000              0.0003494962     
  4  56176.3100000              0.001473832      
  5  18325.8200000              0.00533833       
  6   6614.9550000              0.01712708       
  7   2579.1990000              0.04894085       
  8   1068.8490000              0.1217934        
  9    465.1045000              0.2476589        
 10    210.4130000              0.3582431        
 11     97.6162900              0.2798174        
 12     44.3802000              0.06857491       
 13     21.4230800             -0.001311092      
 14     10.3089100              0.001914001      
 15      4.5536450             -0.000875922      
 16      2.1328210              0.0003740096     
 17      0.9296970             -0.0001401399     
 18      0.1921470              4.757132E-05     
 19      0.0875950             -3.642711E-05     
S   19
  1 5820021.0000000            -2.640069E-06     
  2 871523.4000000             -2.05272E-05      
  3 198335.0000000             -0.0001079859     
  4  56176.3100000             -0.0004558577     
  5  18325.8200000             -0.001657758      
  6   6614.9550000             -0.005368492      
  7   2579.1990000             -0.01571249       
  8   1068.8490000             -0.04122558       
  9    465.1045000             -0.09406459       
 10    210.4130000             -0.1719954        
 11     97.6162900             -0.1958523        
 12     44.3802000              0.04532907       
 13     21.4230800              0.5244442        
 14     10.3089100              0.5006142        
 15      4.5536450              0.08945527       
 16      2.1328210             -0.002146262      
 17      0.9296970              0.002112113      
 18      0.1921470             -0.000413398      
 19      0.0875950              0.0003209752     
S   19
  1 5820021.0000000             9.967103E-07     
  2 871523.4000000              7.754163E-06     
  3 198335.0000000              4.076019E-05     
  4  56176.3100000              0.0001722811     
  5  18325.8200000              0.000625937      
  6   6614.9550000              0.002032855      
  7   2579.1990000              0.005954646      
  8   1068.8490000              0.0157664        
  9    465.1045000              0.03637638       
 10    210.4130000              0.06892343       
 11     97.6162900              0.08238093       
 12     44.3802000             -0.0201136        
 13     21.4230800             -0.3252526        
 14     10.3089100             -0.4602899        
 15      4.5536450              0.1635546        
 16      2.1328210              0.7297118        
 17      0.9296970              0.3769751        
 18      0.1921470              0.01433224       
 19      0.0875950             -0.00667121       
S   19
  1 5820021.0000000             1.995818E-07     
  2 871523.4000000              1.552973E-06     
  3 198335.0000000              8.161259E-06     
  4  56176.3100000              3.450747E-05     
  5  18325.8200000              0.0001253275     
  6   6614.9550000              0.000407299      
  7   2579.1990000              0.001192734      
  8   1068.8490000              0.00316314       
  9    465.1045000              0.007303942      
 10    210.4130000              0.01391279       
 11     97.6162900              0.0167062        
 12     44.3802000             -0.004035586      
 13     21.4230800             -0.06968861       
 14     10.3089100             -0.1030105        
 15      4.5536450              0.04471442       
 16      2.1328210              0.2150027        
 17      0.9296970              0.2220163        
 18      0.1921470             -0.3114776        
 19      0.0875950             -0.5693429        
S   19
  1 5820021.0000000            -5.43591E-07      
  2 871523.4000000             -4.336894E-06     
  3 198335.0000000             -2.197572E-05     
  4  56176.3100000             -9.747392E-05     
  5  18325.8200000             -0.0003331615     
  6   6614.9550000             -0.001166192      
  7   2579.1990000             -0.003119308      
  8   1068.8490000             -0.009239504      
  9    465.1045000             -0.01855471       
 10    210.4130000             -0.04281189       
 11     97.6162900             -0.03571095       
 12     44.3802000             -0.0163835        
 13     21.4230800              0.2644664        
 14     10.3089100              0.2086588        
 15      4.5536450             -0.01774382       
 16      2.1328210             -1.3538730        
 17      0.9296970              0.8182926        
 18      0.1921470              1.6950360        
 19      0.0875950             -1.3886560        
S   19
  1 5820021.0000000             8.040791E-07     
  2 871523.4000000              6.282936E-06     
  3 198335.0000000              3.281868E-05     
  4  56176.3100000              0.0001398858     
  5  18325.8200000              0.0005029836     
  6   6614.9550000              0.001655419      
  7   2579.1990000              0.004778677      
  8   1068.8490000              0.01292479       
  9    465.1045000              0.02925831       
 10    210.4130000              0.05791816       
 11     97.6162900              0.06640681       
 12     44.3802000             -0.007388966      
 13     21.4230800             -0.3329989        
 14     10.3089100             -0.5917865        
 15      4.5536450              0.9011406        
 16      2.1328210              1.5859510        
 17      0.9296970             -2.7880080        
 18      0.1921470              2.0718840        
 19      0.0875950             -0.6012025        
S   1
  1      0.0377020              1.0000000        
S   1
  1      0.0162300              1.0000000        
P   15
  1  24411.9800000              0.0000410        
  2   5778.5180000              0.0003610        
  3   1876.8620000              0.0020880        
  4    718.2361000              0.0092210        
  5    304.8327000              0.0327730        
  6    139.0453000              0.0941790        
  7     66.8041700              0.2091320        
  8     33.2069900              0.3345690        
  9     16.9281600              0.3303590        
 10      8.6962290              0.1523470        
 11      4.3505100              0.0229840        
 12      2.1165230              0.0016070        
 13      0.9953870              0.0004680        
 14      0.3781120              0.0000660        
 15      0.1345790             -0.0000020        
P   15
  1  24411.9800000             -0.0000150        
  2   5778.5180000             -0.0001350        
  3   1876.8620000             -0.0007820        
  4    718.2361000             -0.0034780        
  5    304.8327000             -0.0125200        
  6    139.0453000             -0.0370160        
  7     66.8041700             -0.0855590        
  8     33.2069900             -0.1447180        
  9     16.9281600             -0.1434420        
 10      8.6962290              0.0435950        
 11      4.3505100              0.3488880        
 12      2.1165230              0.4538650        
 13      0.9953870              0.2685940        
 14      0.3781120              0.0388680        
 15      0.1345790             -0.0024920        
P   15
  1  24411.9800000              0.0000030        
  2   5778.5180000              0.0000250        
  3   1876.8620000              0.0001440        
  4    718.2361000              0.0006450        
  5    304.8327000              0.0023110        
  6    139.0453000              0.0068980        
  7     66.8041700              0.0158820        
  8     33.2069900              0.0273500        
  9     16.9281600              0.0266210        
 10      8.6962290             -0.0108580        
 11      4.3505100             -0.0798530        
 12      2.1165230             -0.1061270        
 13      0.9953870             -0.0688830        
 14      0.3781120              0.1843850        
 15      0.1345790              0.5617880        
P   15
  1  24411.9800000              0.0000050        
  2   5778.5180000              0.0000420        
  3   1876.8620000              0.0002380        
  4    718.2361000              0.0010880        
  5    304.8327000              0.0038210        
  6    139.0453000              0.0116440        
  7     66.8041700              0.0261670        
  8     33.2069900              0.0467500        
  9     16.9281600              0.0433090        
 10      8.6962290             -0.0134290        
 11      4.3505100             -0.1538970        
 12      2.1165230             -0.1674130        
 13      0.9953870             -0.0849950        
 14      0.3781120              0.4508130        
 15      0.1345790              0.6408690        
P   15
  1  24411.9800000              0.0000120        
  2   5778.5180000              0.0000960        
  3   1876.8620000              0.0005940        
  4    718.2361000              0.0024840        
  5    304.8327000              0.0095370        
  6    139.0453000              0.0264790        
  7     66.8041700              0.0663660        
  8     33.2069900              0.1024580        
  9     16.9281600              0.1386830        
 10      8.6962290             -0.0801400        
 11      4.3505100             -0.4960690        
 12      2.1165230             -0.4635100        
 13      0.9953870              0.8745310        
 14      0.3781120              0.6297900        
 15      0.1345790             -0.8116860        
P   1
  1      0.0462820              1.0000000        
P   1
  1      0.0159200              1.0000000        
D   7
  1    205.6177000              0.0023420        
  2     61.4498100              0.0186060        
  3     23.0568900              0.0771020        
  4      9.5777390              0.2020260        
  5      4.1337340              0.3294540        
  6      1.7475180              0.3609760        
  7      0.6995600              0.2716570        
D   7
  1    205.6177000              0.0032790        
  2     61.4498100              0.0261760        
  3     23.0568900              0.1113670        
  4      9.5777390              0.3045810        
  5      4.1337340              0.3862990        
  6      1.7475180             -0.0583750        
  7      0.6995600             -0.5388760        
D   7
  1    205.6177000              0.0037400        
  2     61.4498100              0.0318250        
  3     23.0568900              0.1322290        
  4      9.5777390              0.4245500        
  5      4.1337340              0.1203700        
  6      1.7475180             -0.7626610        
  7      0.6995600             -0.1128230        
D   1
  1      0.2516080              1.0000000        
D   1
  1      0.0904900              1.0000000        
F   1
  1      5.7922000              1.0000000        
F   1
  1      1.4851000              1.0000000        
F   1
  1      0.5486100              1.0000000        
G   1
  1      4.1144000              1.0000000        
G   1
  1      1.8293300              1.0000000        


name: aug-cc-pVTZ
description: VTZ2PD Valence Triple Zeta + Polarization + Diffuse
elt: Ga
data:
GALLIUM
S   18
  1 6558157.3000000             0.0000080        
  2 982025.3400000              0.0000622        
  3 223467.6900000              0.0003270        
  4  63288.2910000              0.0013794        
  5  20642.9400000              0.0049993        
  6   7450.5224000              0.0160605        
  7   2905.0744000              0.0460124        
  8   1204.2100000              0.1152224        
  9    524.3045400              0.2373921        
 10    237.4656300              0.3531989        
 11    110.5786600              0.2915500        
 12     51.3746240              0.0812129        
 13     24.4408460              0.0007655        
 14     11.7685910              0.0016124        
 15      5.3421190             -0.0007530        
 16      2.4950360              0.0003134        
 17      1.0987730             -0.0001306        
 18      0.2601800              0.0000513        
S   18
  1 6558157.3000000            -0.0000025        
  2 982025.3400000             -0.0000193        
  3 223467.6900000             -0.0001014        
  4  63288.2910000             -0.0004281        
  5  20642.9400000             -0.0015582        
  6   7450.5224000             -0.0050469        
  7   2905.0744000             -0.0148056        
  8   1204.2100000             -0.0389482        
  9    524.3045400             -0.0896832        
 10    237.4656300             -0.1664076        
 11    110.5786600             -0.2004010        
 12     51.3746240              0.0114943        
 13     24.4408460              0.4958134        
 14     11.7685910              0.5295550        
 15      5.3421190              0.1110185        
 16      2.4950360             -0.0007000        
 17      1.0987730              0.0022283        
 18      0.2601800             -0.0005014        
S   18
  1 6558157.3000000             0.0000009        
  2 982025.3400000              0.0000074        
  3 223467.6900000              0.0000387        
  4  63288.2910000              0.0001633        
  5  20642.9400000              0.0005944        
  6   7450.5224000              0.0019292        
  7   2905.0744000              0.0056689        
  8   1204.2100000              0.0150282        
  9    524.3045400              0.0350222        
 10    237.4656300              0.0671135        
 11    110.5786600              0.0850156        
 12     51.3746240             -0.0047212        
 13     24.4408460             -0.3016737        
 14     11.7685910             -0.4825489        
 15      5.3421190              0.0891695        
 16      2.4950360              0.7287830        
 17      1.0987730              0.4288542        
 18      0.2601800              0.0207249        
S   18
  1 6558157.3000000             0.0000002        
  2 982025.3400000              0.0000017        
  3 223467.6900000              0.0000090        
  4  63288.2910000              0.0000380        
  5  20642.9400000              0.0001382        
  6   7450.5224000              0.0004489        
  7   2905.0744000              0.0013188        
  8   1204.2100000              0.0035016        
  9    524.3045400              0.0081673        
 10    237.4656300              0.0157338        
 11    110.5786600              0.0200284        
 12     51.3746240             -0.0010136        
 13     24.4408460             -0.0750162        
 14     11.7685910             -0.1257980        
 15      5.3421190              0.0300857        
 16      2.4950360              0.2488169        
 17      1.0987730              0.2843706        
 18      0.2601800             -0.3110594        
S   1
  1      0.1270790              1.0000000        
S   1
  1      0.0544080              1.0000000        
S   1
  1      0.0143980              1.0000000        
P   11
  1   8050.1674000              0.0003169        
  2   1907.5361000              0.0027648        
  3    618.6274600              0.0151204        
  4    235.3241700              0.0599583        
  5     98.8996460              0.1733120        
  6     44.2482150              0.3410820        
  7     20.6174290              0.3896967        
  8      9.7805160              0.1839817        
  9      4.4412380              0.0218896        
 10      1.9640450              0.0011608        
 11      0.8335780              0.0002735        
P   11
  1   8050.1674000             -0.0001203        
  2   1907.5361000             -0.0010492        
  3    618.6274600             -0.0058102        
  4    235.3241700             -0.0234345        
  5     98.8996460             -0.0708270        
  6     44.2482150             -0.1465511        
  7     20.6174290             -0.1769660        
  8      9.7805160              0.0363821        
  9      4.4412380              0.4232848        
 10      1.9640450              0.4952586        
 11      0.8335780              0.1797428        
P   11
  1   8050.1674000              0.0000200        
  2   1907.5361000              0.0001689        
  3    618.6274600              0.0009668        
  4    235.3241700              0.0037797        
  5     98.8996460              0.0119082        
  6     44.2482150              0.0235693        
  7     20.6174290              0.0314233        
  8      9.7805160             -0.0136188        
  9      4.4412380             -0.0734003        
 10      1.9640450             -0.1264785        
 11      0.8335780              0.0158579        
P   1
  1      0.1934450              1.0000000        
P   1
  1      0.0561170              1.0000000        
P   1
  1      0.0193000              1.0000000        
D   7
  1    244.1474100              0.0020270        
  2     73.0675950              0.0165088        
  3     27.5920810              0.0703823        
  4     11.5465180              0.1911430        
  5      5.0486280              0.3254092        
  6      2.1784650              0.3678199        
  7      0.9002530              0.2744685        
D   1
  1      0.3373270              1.0000000        
D   1
  1      0.1169000              1.0000000        
D   1
  1      0.0387000              1.0000000        
F   1
  1      0.2881000              1.0000000        
F   1
  1      0.0980000              1.0000000        


name: aug-cc-pVTZ
description: VTZ2PD Valence Triple Zeta + Polarization + Diffuse
elt: Ge
data:
GERMANIUM
S   18
  1 7447966.8000000             0.0000074        
  2 1115318.2000000             0.0000574        
  3 253842.6500000              0.0003019        
  4  71915.2850000              0.0012733        
  5  23470.1810000              0.0046123        
  6   8477.4918000              0.0148214        
  7   3308.3908000              0.0425536        
  8   1372.6054000              0.1073055        
  9    598.2200700              0.2245178        
 10    271.3860200              0.3453131        
 11    126.9779500              0.3045261        
 12     60.2220650              0.0990670        
 13     28.0185820              0.0041317        
 14     13.5175220              0.0010347        
 15      6.3094060             -0.0004856        
 16      2.9045340              0.0001805        
 17      1.2875560             -0.0000912        
 18      0.1677320             -0.0000266        
S   18
  1 7447966.8000000            -0.0000023        
  2 1115318.2000000            -0.0000179        
  3 253842.6500000             -0.0000940        
  4  71915.2850000             -0.0003964        
  5  23470.1810000             -0.0014425        
  6   8477.4918000             -0.0046675        
  7   3308.3908000             -0.0137153        
  8   1372.6054000             -0.0361797        
  9    598.2200700             -0.0841679        
 10    271.3860200             -0.1588767        
 11    126.9779500             -0.2033807        
 12     60.2220650             -0.0251410        
 13     28.0185820              0.4575152        
 14     13.5175220              0.5571939        
 15      6.3094060              0.1397055        
 16      2.9045340              0.0022645        
 17      1.2875560              0.0020927        
 18      0.1677320              0.0003281        
S   18
  1 7447966.8000000             0.0000009        
  2 1115318.2000000             0.0000069        
  3 253842.6500000              0.0000362        
  4  71915.2850000              0.0001528        
  5  23470.1810000              0.0005563        
  6   8477.4918000              0.0018018        
  7   3308.3908000              0.0053085        
  8   1372.6054000              0.0140877        
  9    598.2200700              0.0332013        
 10    271.3860200              0.0644621        
 11    126.9779500              0.0869540        
 12     60.2220650              0.0118745        
 13     28.0185820             -0.2724534        
 14     13.5175220             -0.5001452        
 15      6.3094060              0.0108554        
 16      2.9045340              0.7216469        
 17      1.2875560              0.4805213        
 18      0.1677320             -0.0102297        
S   18
  1 7447966.8000000            -0.0000002        
  2 1115318.2000000            -0.0000018        
  3 253842.6500000             -0.0000093        
  4  71915.2850000             -0.0000392        
  5  23470.1810000             -0.0001426        
  6   8477.4918000             -0.0004621        
  7   3308.3908000             -0.0013614        
  8   1372.6054000             -0.0036175        
  9    598.2200700             -0.0085359        
 10    271.3860200             -0.0166506        
 11    126.9779500             -0.0225911        
 12     60.2220650             -0.0032147        
 13     28.0185820              0.0744998        
 14     13.5175220              0.1440333        
 15      6.3094060             -0.0080815        
 16      2.9045340             -0.2704163        
 17      1.2875560             -0.3401607        
 18      0.1677320              0.6190657        
S   1
  1      0.3365520              1.0000000        
S   1
  1      0.0710690              1.0000000        
S   1
  1      0.0273700              1.0000000        
P   11
  1   6979.5982000              0.0004569        
  2   1654.1648000              0.0039562        
  3    536.0286500              0.0213143        
  4    203.5371300              0.0818715        
  5     85.2375300              0.2223732        
  6     37.8419620              0.3905659        
  7     17.4065120              0.3560415        
  8      7.8814920              0.1070312        
  9      3.5332130              0.0036941        
 10      1.5214730              0.0019219        
 11      0.1990930              0.0001917        
P   11
  1   6979.5982000             -0.0001756        
  2   1654.1648000             -0.0015305        
  3    536.0286500             -0.0083145        
  4    203.5371300             -0.0328718        
  5     85.2375300             -0.0931661        
  6     37.8419620             -0.1755542        
  7     17.4065120             -0.1467912        
  8      7.8814920              0.1862934        
  9      3.5332130              0.5264862        
 10      1.5214730              0.3970859        
 11      0.1990930             -0.0033478        
P   11
  1   6979.5982000              0.0000348        
  2   1654.1648000              0.0003014        
  3    536.0286500              0.0016487        
  4    203.5371300              0.0064982        
  5     85.2375300              0.0186383        
  6     37.8419620              0.0350613        
  7     17.4065120              0.0295892        
  8      7.8814920             -0.0472458        
  9      3.5332130             -0.1249847        
 10      1.5214730             -0.1210801        
 11      0.1990930              0.5754730        
P   1
  1      0.5627040              1.0000000        
P   1
  1      0.0670310              1.0000000        
P   1
  1      0.0213680              1.0000000        
D   7
  1    282.2391100              0.0018275        
  2     84.5499570              0.0151545        
  3     32.0736560              0.0660460        
  4     13.4974950              0.1839470        
  5      5.9585500              0.3227872        
  6      2.6107880              0.3729459        
  7      1.1039870              0.2751730        
D   1
  1      0.4240490              1.0000000        
D   1
  1      0.1520000              1.0000000        
D   1
  1      0.0528000              1.0000000        
F   1
  1      0.3458000              1.0000000        
F   1
  1      0.1323000              1.0000000        


name: aug-cc-pVTZ
description: VTZ2PD Valence Triple Zeta + Polarization + Diffuse
elt: As
data:
ARSENIC
S   18
  1 8482339.6000000             0.0000068        
  2 1270150.9000000             0.0000528        
  3 289056.9600000              0.0002774        
  4  81879.8490000              0.0011702        
  5  26716.5640000              0.0042421        
  6   9647.5842000              0.0136557        
  7   3764.1195000              0.0393399        
  8   1561.5656000              0.0999292        
  9    680.8146700              0.2121555        
 10    309.2411900              0.3363866        
 11    145.2573600              0.3155125        
 12     69.7390480              0.1181312        
 13     31.7703250              0.0080076        
 14     15.3917570              0.0003293        
 15      7.3415260             -0.0001523        
 16      3.3237160              0.0000247        
 17      1.4858670             -0.0000366        
 18      0.2115000             -0.0000094        
S   18
  1 8482339.6000000            -0.0000021        
  2 1270150.9000000            -0.0000165        
  3 289056.9600000             -0.0000866        
  4  81879.8490000             -0.0003653        
  5  26716.5640000             -0.0013309        
  6   9647.5842000             -0.0043093        
  7   3764.1195000             -0.0126973        
  8   1561.5656000             -0.0336160        
  9    680.8146700             -0.0789470        
 10    309.2411900             -0.1514458        
 11    145.2573600             -0.2042014        
 12     69.7390480             -0.0557367        
 13     31.7703250              0.4187607        
 14     15.3917570              0.5758762        
 15      7.3415260              0.1696842        
 16      3.3237160              0.0060662        
 17      1.4858670              0.0017605        
 18      0.2115000              0.0002316        
S   18
  1 8482339.6000000             0.0000008        
  2 1270150.9000000             0.0000064        
  3 289056.9600000              0.0000337        
  4  81879.8490000              0.0001423        
  5  26716.5640000              0.0005188        
  6   9647.5842000              0.0016802        
  7   3764.1195000              0.0049677        
  8   1561.5656000              0.0132115        
  9    680.8146700              0.0314566        
 10    309.2411900              0.0618446        
 11    145.2573600              0.0879566        
 12     69.7390480              0.0257548        
 13     31.7703250             -0.2455459        
 14     15.3917570             -0.5090572        
 15      7.3415260             -0.0555749        
 16      3.3237160              0.7083796        
 17      1.4858670              0.5231027        
 18      0.2115000             -0.0111176        
S   18
  1 8482339.6000000            -0.0000002        
  2 1270150.9000000            -0.0000018        
  3 289056.9600000             -0.0000093        
  4  81879.8490000             -0.0000392        
  5  26716.5640000             -0.0001429        
  6   9647.5842000             -0.0004629        
  7   3764.1195000             -0.0013687        
  8   1561.5656000             -0.0036440        
  9    680.8146700             -0.0086884        
 10    309.2411900             -0.0171556        
 11    145.2573600             -0.0245514        
 12     69.7390480             -0.0073524        
 13     31.7703250              0.0720087        
 14     15.3917570              0.1576254        
 15      7.3415260              0.0142074        
 16      3.3237160             -0.2851593        
 17      1.4858670             -0.3885347        
 18      0.2115000              0.6495337        
S   1
  1      0.4210860              1.0000000        
S   1
  1      0.0889740              1.0000000        
S   1
  1      0.0334070              1.0000000        
P   11
  1   7423.8614000              0.0004599        
  2   1759.5166000              0.0039823        
  3    570.2291600              0.0214638        
  4    216.5799700              0.0824617        
  5     90.7342520              0.2238902        
  6     40.3087910              0.3920704        
  7     18.5555020              0.3542238        
  8      8.3965430              0.1048641        
  9      3.7673670              0.0033664        
 10      1.6297010              0.0018495        
 11      0.2225030              0.0002297        
P   11
  1   7423.8614000             -0.0001794        
  2   1759.5166000             -0.0015641        
  3    570.2291600             -0.0084999        
  4    216.5799700             -0.0336327        
  5     90.7342520             -0.0953228        
  6     40.3087910             -0.1793626        
  7     18.5555020             -0.1466682        
  8      8.3965430              0.1966016        
  9      3.7673670              0.5372088        
 10      1.6297010              0.3857361        
 11      0.2225030             -0.0054006        
P   11
  1   7423.8614000              0.0000399        
  2   1759.5166000              0.0003488        
  3    570.2291600              0.0018953        
  4    216.5799700              0.0075325        
  5     90.7342520              0.0214315        
  6     40.3087910              0.0407807        
  7     18.5555020              0.0325249        
  8      8.3965430             -0.0548832        
  9      3.7673670             -0.1511922        
 10      1.6297010             -0.1249011        
 11      0.2225030              0.5855293        
P   1
  1      0.5682630              1.0000000        
P   1
  1      0.0804050              1.0000000        
P   1
  1      0.0267990              1.0000000        
D   7
  1    321.0196100              0.0016840        
  2     96.2493050              0.0141586        
  3     36.6449630              0.0628259        
  4     15.4939650              0.1784993        
  5      6.8911380              0.3209452        
  6      3.0548310              0.3773515        
  7      1.3142410              0.2750231        
D   1
  1      0.5134300              1.0000000        
D   1
  1      0.1877000              1.0000000        
D   1
  1      0.0700000              1.0000000        
F   1
  1      0.4158000              1.0000000        
F   1
  1      0.1690000              1.0000000        


name: aug-cc-pVTZ
description: VTZ2PD Valence Triple Zeta + Polarization + Diffuse
elt: Se
data:
SELENIUM
S   18
  1 9563600.0000000             0.0000063        
  2 1432100.0000000             0.0000489        
  3 325910.0000000              0.0002574        
  4  92312.0000000              0.0010861        
  5  30116.0000000              0.0039399        
  6  10872.0000000              0.0127041        
  7   4240.1000000              0.0367156        
  8   1758.4000000              0.0938672        
  9    766.5900000              0.2017677        
 10    348.4300000              0.3280540        
 11    164.0300000              0.3238334        
 12     79.1420000              0.1352337        
 13     35.5240000              0.0117075        
 14     17.3050000             -0.0003436        
 15      8.3784000              0.0001665        
 16      3.7405000             -0.0001188        
 17      1.6890000              0.0000204        
 18      0.2552000              0.0000083        
S   18
  1 9563600.0000000            -0.0000020        
  2 1432100.0000000            -0.0000153        
  3 325910.0000000             -0.0000806        
  4  92312.0000000             -0.0003400        
  5  30116.0000000             -0.0012397        
  6  10872.0000000             -0.0040177        
  7   4240.1000000             -0.0118672        
  8   1758.4000000             -0.0315340        
  9    766.5900000             -0.0746439        
 10    348.4300000             -0.1452179        
 11    164.0300000             -0.2038441        
 12     79.1420000             -0.0788711        
 13     35.5240000              0.3845825        
 14     17.3050000              0.5865270        
 15      8.3784000              0.1973591        
 16      3.7405000              0.0100102        
 17      1.6890000              0.0013160        
 18      0.2552000              0.0001109        
S   18
  1 9563600.0000000             0.0000008        
  2 1432100.0000000             0.0000060        
  3 325910.0000000              0.0000317        
  4  92312.0000000              0.0001337        
  5  30116.0000000              0.0004883        
  6  10872.0000000              0.0015821        
  7   4240.1000000              0.0046919        
  8   1758.4000000              0.0125098        
  9    766.5900000              0.0300381        
 10    348.4300000              0.0597271        
 11    164.0300000              0.0884696        
 12     79.1420000              0.0363920        
 13     35.5240000             -0.2235329        
 14     17.3050000             -0.5122462        
 15      8.3784000             -0.1084224        
 16      3.7405000              0.6936372        
 17      1.6890000              0.5558711        
 18      0.2552000             -0.0113832        
S   18
  1 9563600.0000000            -0.0000002        
  2 1432100.0000000            -0.0000018        
  3 325910.0000000             -0.0000093        
  4  92312.0000000             -0.0000391        
  5  30116.0000000             -0.0001428        
  6  10872.0000000             -0.0004627        
  7   4240.1000000             -0.0013722        
  8   1758.4000000             -0.0036628        
  9    766.5900000             -0.0088061        
 10    348.4300000             -0.0175867        
 11    164.0300000             -0.0262074        
 12     79.1420000             -0.0109964        
 13     35.5240000              0.0695697        
 14     17.3050000              0.1683947        
 15      8.3784000              0.0346160        
 16      3.7405000             -0.2978702        
 17      1.6890000             -0.4322569        
 18      0.2552000              0.6757217        
S   1
  1      0.5092700              1.0000000        
S   1
  1      0.1065100              1.0000000        
S   1
  1      0.0392010              1.0000000        
P   11
  1   8004.3000000              0.0004505        
  2   1896.9000000              0.0039049        
  3    614.7100000              0.0210901        
  4    233.5000000              0.0812920        
  5     97.8560000              0.2217841        
  6     43.5140000              0.3907270        
  7     20.0630000              0.3559714        
  8      9.1127000              0.1073272        
  9      4.1063000              0.0036985        
 10      1.7949000              0.0018032        
 11      0.2461500              0.0002208        
P   11
  1   8004.3000000             -0.0001783        
  2   1896.9000000             -0.0015554        
  3    614.7100000             -0.0084727        
  4    233.5000000             -0.0336245        
  5     97.8560000             -0.0958267        
  6     43.5140000             -0.1813907        
  7     20.0630000             -0.1503152        
  8      9.1127000              0.1948263        
  9      4.1063000              0.5415554        
 10      1.7949000              0.3837299        
 11      0.2461500             -0.0050132        
P   11
  1   8004.3000000              0.0000430        
  2   1896.9000000              0.0003770        
  3    614.7100000              0.0020465        
  4    233.5000000              0.0081899        
  5     97.8560000              0.0233356        
  6     43.5140000              0.0449813        
  7     20.0630000              0.0357475        
  8      9.1127000             -0.0586866        
  9      4.1063000             -0.1709573        
 10      1.7949000             -0.1293583        
 11      0.2461500              0.5778069        
P   1
  1      0.6243200              1.0000000        
P   1
  1      0.0889170              1.0000000        
P   1
  1      0.0302510              1.0000000        
D   7
  1    361.8500000              0.0015655        
  2    108.5500000              0.0133262        
  3     41.4330000              0.0601527        
  4     17.5790000              0.1740293        
  5      7.8627000              0.3195690        
  6      3.5180000              0.3812029        
  7      1.5348000              0.2746086        
D   1
  1      0.6081300              1.0000000        
D   1
  1      0.2220000              1.0000000        
D   1
  1      0.0837000              1.0000000        
F   1
  1      0.4620000              1.0000000        
F   1
  1      0.1880000              1.0000000        


name: aug-cc-pVTZ
description: VTZ2PD Valence Triple Zeta + Polarization + Diffuse
elt: Br
data:
BROMINE
S   18
  1 10639000.0000000            0.0000059        
  2 1593400.0000000             0.0000461        
  3 362610.0000000              0.0002422        
  4 102700.0000000              0.0010226        
  5  33501.0000000              0.0037113        
  6  12093.0000000              0.0119785        
  7   4715.9000000              0.0346927        
  8   1955.6000000              0.0891239        
  9    852.6100000              0.1934557        
 10    387.6700000              0.3209019        
 11    182.6800000              0.3299233        
 12     88.2450000              0.1494121        
 13     39.2630000              0.0149938        
 14     19.2340000             -0.0009165        
 15      9.4057000              0.0004380        
 16      4.1601000             -0.0002398        
 17      1.8995000              0.0000736        
 18      0.3011400              0.0000239        
S   18
  1 10639000.0000000           -0.0000019        
  2 1593400.0000000            -0.0000145        
  3 362610.0000000             -0.0000761        
  4 102700.0000000             -0.0003210        
  5  33501.0000000             -0.0011709        
  6  12093.0000000             -0.0037968        
  7   4715.9000000             -0.0112307        
  8   1955.6000000             -0.0299277        
  9    852.6100000             -0.0712706        
 10    387.6700000             -0.1403136        
 11    182.6800000             -0.2030763        
 12     88.2450000             -0.0960985        
 13     39.2630000              0.3558086        
 14     19.2340000              0.5921792        
 15      9.4057000              0.2215977        
 16      4.1601000              0.0137648        
 17      1.8995000              0.0008395        
 18      0.3011400             -0.0000085        
S   18
  1 10639000.0000000            0.0000007        
  2 1593400.0000000             0.0000057        
  3 362610.0000000              0.0000303        
  4 102700.0000000              0.0001275        
  5  33501.0000000              0.0004659        
  6  12093.0000000              0.0015096        
  7   4715.9000000              0.0044852        
  8   1955.6000000              0.0119835        
  9    852.6100000              0.0289571        
 10    387.6700000              0.0581566        
 11    182.6800000              0.0888133        
 12     88.2450000              0.0445244        
 13     39.2630000             -0.2060387        
 14     19.2340000             -0.5127017        
 15      9.4057000             -0.1509349        
 16      4.1601000              0.6789203        
 17      1.8995000              0.5817697        
 18      0.3011400             -0.0111825        
S   18
  1 10639000.0000000           -0.0000002        
  2 1593400.0000000            -0.0000018        
  3 362610.0000000             -0.0000093        
  4 102700.0000000             -0.0000391        
  5  33501.0000000             -0.0001428        
  6  12093.0000000             -0.0004628        
  7   4715.9000000             -0.0013750        
  8   1955.6000000             -0.0036784        
  9    852.6100000             -0.0088981        
 10    387.6700000             -0.0179529        
 11    182.6800000             -0.0275732        
 12     88.2450000             -0.0140953        
 13     39.2630000              0.0672561        
 14     19.2340000              0.1766928        
 15      9.4057000              0.0528861        
 16      4.1601000             -0.3075955        
 17      1.8995000             -0.4700658        
 18      0.3011400              0.6980341        
S   1
  1      0.6047200              1.0000000        
S   1
  1      0.1251500              1.0000000        
S   1
  1      0.0455930              1.0000000        
P   11
  1   8676.5000000              0.0004357        
  2   2055.9000000              0.0037815        
  3    666.2300000              0.0204782        
  4    253.1000000              0.0792834        
  5    106.1200000              0.2178473        
  6     47.2420000              0.3878585        
  7     21.8250000              0.3594350        
  8      9.9684000              0.1121995        
  9      4.5171000              0.0043874        
 10      1.9982000              0.0017809        
 11      0.2814500              0.0002122        
P   11
  1   8676.5000000             -0.0001748        
  2   2055.9000000             -0.0015263        
  3    666.2300000             -0.0083399        
  4    253.1000000             -0.0332203        
  5    106.1200000             -0.0954180        
  6     47.2420000             -0.1824026        
  7     21.8250000             -0.1558308        
  8      9.9684000              0.1867899        
  9      4.5171000              0.5427733        
 10      1.9982000              0.3873309        
 11      0.2814500             -0.0043784        
P   11
  1   8676.5000000              0.0000451        
  2   2055.9000000              0.0003964        
  3    666.2300000              0.0021555        
  4    253.1000000              0.0086720        
  5    106.1200000              0.0248680        
  6     47.2420000              0.0485472        
  7     21.8250000              0.0396156        
  8      9.9684000             -0.0605749        
  9      4.5171000             -0.1871699        
 10      1.9982000             -0.1377757        
 11      0.2814500              0.5760896        
P   1
  1      0.7098800              1.0000000        
P   1
  1      0.1020400              1.0000000        
P   1
  1      0.0351420              1.0000000        
D   7
  1    403.8300000              0.0014732        
  2    121.1700000              0.0126725        
  3     46.3450000              0.0580451        
  4     19.7210000              0.1705103        
  5      8.8624000              0.3185958        
  6      3.9962000              0.3845023        
  7      1.7636000              0.2737737        
D   1
  1      0.7061900              1.0000000        
D   1
  1      0.2639000              1.0000000        
D   1
  1      0.1047000              1.0000000        
F   1
  1      0.5515000              1.0000000        
F   1
  1      0.2580000              1.0000000        


name: aug-cc-pVTZ
description: VTZ2PD Valence Triple Zeta + Polarization + Diffuse
elt: Kr
data:
KRYPTON
S   18
  1 11718113.0000000            0.0000056        
  2 1754604.4000000             0.0000438        
  3 399281.3200000              0.0002305        
  4 113084.5700000              0.0009733        
  5  36885.9250000              0.0035337        
  6  13312.2090000              0.0114167        
  7   5189.9883000              0.0331325        
  8   2151.6597000              0.0854464        
  9    938.0325100              0.1869124        
 10    426.5573200              0.3149761        
 11    201.0666000              0.3343334        
 12     97.0976050              0.1608810        
 13     42.9987240              0.0178435        
 14     21.1770750             -0.0013793        
 15     10.4267520              0.0006572        
 16      4.5850080             -0.0003388        
 17      2.1176030              0.0001211        
 18      0.3492250              0.0000366        
S   18
  1 11718113.0000000           -0.0000018        
  2 1754604.4000000            -0.0000138        
  3 399281.3200000             -0.0000726        
  4 113084.5700000             -0.0003063        
  5  36885.9250000             -0.0011177        
  6  13312.2090000             -0.0036270        
  7   5189.9883000             -0.0107432        
  8   2151.6597000             -0.0286992        
  9    938.0325100             -0.0686679        
 10    426.5573200             -0.1365155        
 11    201.0666000             -0.2022458        
 12     97.0976050             -0.1090569        
 13     42.9987240              0.3318768        
 14     21.1770750              0.5948250        
 15     10.4267520              0.2424825        
 16      4.5850080              0.0172241        
 17      2.1176030              0.0003685        
 18      0.3492250             -0.0001153        
S   18
  1 11718113.0000000            0.0000007        
  2 1754604.4000000             0.0000055        
  3 399281.3200000              0.0000292        
  4 113084.5700000              0.0001228        
  5  36885.9250000              0.0004491        
  6  13312.2090000              0.0014557        
  7   5189.9883000              0.0043319        
  8   2151.6597000              0.0115965        
  9    938.0325100              0.0281585        
 10    426.5573200              0.0570339        
 11    201.0666000              0.0891356        
 12     97.0976050              0.0508421        
 13     42.9987240             -0.1921030        
 14     21.1770750             -0.5121040        
 15     10.4267520             -0.1857007        
 16      4.5850080              0.6654119        
 17      2.1176030              0.6023925        
 18      0.3492250             -0.0106453        
S   18
  1 11718113.0000000           -0.0000002        
  2 1754604.4000000            -0.0000018        
  3 399281.3200000             -0.0000093        
  4 113084.5700000             -0.0000391        
  5  36885.9250000             -0.0001430        
  6  13312.2090000             -0.0004639        
  7   5189.9883000             -0.0013801        
  8   2151.6597000             -0.0037001        
  9    938.0325100             -0.0089921        
 10    426.5573200             -0.0183021        
 11    201.0666000             -0.0287559        
 12     97.0976050             -0.0167324        
 13     42.9987240              0.0652410        
 14     21.1770750              0.1834422        
 15     10.4267520              0.0692183        
 16      4.5850080             -0.3156034        
 17      2.1176030             -0.5031501        
 18      0.3492250              0.7171571        
S   1
  1      0.7070570              1.0000000        
S   1
  1      0.1448210              1.0000000        
S   1
  1      0.0519850              1.0000000        
P   11
  1   9366.3090000              0.0004231        
  2   2219.5543000              0.0036743        
  3    719.4528800              0.0199312        
  4    273.4644600              0.0774222        
  5    114.7522500              0.2140386        
  6     51.1555690              0.3848556        
  7     23.6826760              0.3626340        
  8     10.8754840              0.1170818        
  9      4.9551310              0.0051210        
 10      2.2172670              0.0017539        
 11      0.3221540              0.0002199        
P   11
  1   9366.3090000             -0.0001720        
  2   2219.5543000             -0.0015025        
  3    719.4528800             -0.0082269        
  4    273.4644600             -0.0328566        
  5    114.7522500             -0.0950135        
  6     51.1555690             -0.1833106        
  7     23.6826760             -0.1612161        
  8     10.8754840              0.1787644        
  9      4.9551310              0.5437885        
 10      2.2172670              0.3913387        
 11      0.3221540             -0.0047800        
P   11
  1   9366.3090000              0.0000466        
  2   2219.5543000              0.0004100        
  3    719.4528800              0.0022328        
  4    273.4644600              0.0090144        
  5    114.7522500              0.0260115        
  6     51.1555690              0.0513340        
  7     23.6826760              0.0430929        
  8     10.8754840             -0.0615040        
  9      4.9551310             -0.2003424        
 10      2.2172670             -0.1457364        
 11      0.3221540              0.5764581        
P   1
  1      0.8064100              1.0000000        
P   1
  1      0.1176190              1.0000000        
P   1
  1      0.0400330              1.0000000        
D   7
  1    446.1613300              0.0014044        
  2    133.9647700              0.0121715        
  3     51.3459070              0.0563919        
  4     21.9169060              0.1676430        
  5      9.8937250              0.3177368        
  6      4.4925270              0.3872647        
  7      2.0022930              0.2728006        
D   1
  1      0.8084090              1.0000000        
D   1
  1      0.3006000              1.0000000        
D   1
  1      0.1257000              1.0000000        
F   1
  1      0.6622000              1.0000000        
F   1
  1      0.3280000              1.0000000        


name: aug-cc-pVTZ MP2 Fitting
description: N/A
elt: Sc
data:
SCANDIUM
S   1
  1   1830.0372901              1.0000000        
S   1
  1   1013.8193891              1.0000000        
S   1
  1    463.20663265             1.0000000        
S   1
  1    186.05049236             1.0000000        
S   1
  1     83.246008168            1.0000000        
S   1
  1     36.167617817            1.0000000        
S   1
  1     14.786073814            1.0000000        
S   1
  1      4.1453423475           1.0000000        
S   1
  1      2.7161864463           1.0000000        
S   1
  1      1.1884652320           1.0000000        
S   1
  1      0.67359107267          1.0000000        
S   1
  1      0.47361309779          1.0000000        
S   1
  1      0.18287010264          1.0000000        
S   1
  1      0.49056140126E-01            1.0000000        
P   1
  1    595.75135850             1.0000000        
P   1
  1    142.48942717             1.0000000        
P   1
  1     35.286914567            1.0000000        
P   1
  1      9.4383727580           1.0000000        
P   1
  1      6.2396015272           1.0000000        
P   1
  1      2.3900184092           1.0000000        
P   1
  1      1.0184397586           1.0000000        
P   1
  1      0.78822648280          1.0000000        
P   1
  1      0.58596926696          1.0000000        
P   1
  1      0.36304914817          1.0000000        
P   1
  1      0.16434477854          1.0000000        
P   1
  1      0.61770027376E-01            1.0000000        
D   1
  1    133.66038783             1.0000000        
D   1
  1     44.532239476            1.0000000        
D   1
  1     19.155158805            1.0000000        
D   1
  1      9.1687763276           1.0000000        
D   1
  1      3.9163133136           1.0000000        
D   1
  1      1.6724144844           1.0000000        
D   1
  1      0.98028367287          1.0000000        
D   1
  1      0.46611041290          1.0000000        
D   1
  1      0.26476146937          1.0000000        
D   1
  1      0.68141585595E-01            1.0000000        
F   1
  1     26.815326597            1.0000000        
F   1
  1      5.5001976836           1.0000000        
F   1
  1      4.0875656875           1.0000000        
F   1
  1      1.7677368934           1.0000000        
F   1
  1      0.80823652723          1.0000000        
F   1
  1      0.37572993028          1.0000000        
F   1
  1      0.20306562114          1.0000000        
F   1
  1      0.80483020246E-01            1.0000000        
G   1
  1      9.2229316702           1.0000000        
G   1
  1      2.9242846101           1.0000000        
G   1
  1      1.3516577817           1.0000000        
G   1
  1      0.61482583031          1.0000000        
G   1
  1      0.33087334880          1.0000000        
G   1
  1      0.91125837286E-01            1.0000000        
H   1
  1      1.8239692042           1.0000000        
H   1
  1      0.90232479194          1.0000000        
H   1
  1      0.31517280960          1.0000000        
H   1
  1      0.96298978249E-01            1.0000000        
I   1
  1      1.7212714087           1.0000000        
I   1
  1      0.67359001004          1.0000000        
I   1
  1      0.24682550982          1.0000000        


name: aug-cc-pVTZ MP2 Fitting
description: N/A
elt: Ti
data:
TITANIUM
S   1
  1   2013.5814729              1.0000000        
S   1
  1   1105.2674140              1.0000000        
S   1
  1    501.78851952             1.0000000        
S   1
  1    198.72908334             1.0000000        
S   1
  1     87.714264174            1.0000000        
S   1
  1     37.923145568            1.0000000        
S   1
  1     15.927715660            1.0000000        
S   1
  1      6.6279991059           1.0000000        
S   1
  1      2.3109590026           1.0000000        
S   1
  1      1.1765696382           1.0000000        
S   1
  1      0.83332777241          1.0000000        
S   1
  1      0.42294064848          1.0000000        
S   1
  1      0.17454756101          1.0000000        
S   1
  1      0.57125629791E-01            1.0000000        
P   1
  1    654.34497399             1.0000000        
P   1
  1    180.32694132             1.0000000        
P   1
  1     52.328915403            1.0000000        
P   1
  1     18.735871948            1.0000000        
P   1
  1      8.9708506491           1.0000000        
P   1
  1      4.9905749471           1.0000000        
P   1
  1      2.2438275109           1.0000000        
P   1
  1      0.99955856451          1.0000000        
P   1
  1      0.58907501802          1.0000000        
P   1
  1      0.39052672074          1.0000000        
P   1
  1      0.23507091412          1.0000000        
P   1
  1      0.93268220835E-01            1.0000000        
D   1
  1    150.28356216             1.0000000        
D   1
  1     43.447429287            1.0000000        
D   1
  1     16.748652461            1.0000000        
D   1
  1      8.4293435794           1.0000000        
D   1
  1      3.6203775199           1.0000000        
D   1
  1      1.7045739577           1.0000000        
D   1
  1      1.0080405427           1.0000000        
D   1
  1      0.52441768655          1.0000000        
D   1
  1      0.23581507541          1.0000000        
D   1
  1      0.74195692535E-01            1.0000000        
F   1
  1     41.897863649            1.0000000        
F   1
  1     19.226986401            1.0000000        
F   1
  1      4.6956330907           1.0000000        
F   1
  1      2.1444041365           1.0000000        
F   1
  1      1.0645968279           1.0000000        
F   1
  1      0.49727730582          1.0000000        
F   1
  1      0.21121000480          1.0000000        
F   1
  1      0.62667161848E-01            1.0000000        
G   1
  1      8.2099511725           1.0000000        
G   1
  1      2.5238279871           1.0000000        
G   1
  1      1.3963959519           1.0000000        
G   1
  1      0.75266327515          1.0000000        
G   1
  1      0.33249693488          1.0000000        
G   1
  1      0.64532521256E-01            1.0000000        
H   1
  1      2.9588394617           1.0000000        
H   1
  1      1.3699053315           1.0000000        
H   1
  1      0.58842615866          1.0000000        
H   1
  1      0.16510428531          1.0000000        
I   1
  1      1.4462058107           1.0000000        
I   1
  1      0.49181647167          1.0000000        
I   1
  1      0.15288658357          1.0000000        


name: aug-cc-pVTZ MP2 Fitting
description: N/A
elt: V
data:
VANADIUM
S   1
  1   1998.9716195              1.0000000        
S   1
  1   1097.8673155              1.0000000        
S   1
  1    498.33315656             1.0000000        
S   1
  1    197.71811644             1.0000000        
S   1
  1     87.107998323            1.0000000        
S   1
  1     37.291056163            1.0000000        
S   1
  1     13.829005789            1.0000000        
S   1
  1      6.2573125706           1.0000000        
S   1
  1      2.6545814028           1.0000000        
S   1
  1      0.98076992050          1.0000000        
S   1
  1      0.62772395163          1.0000000        
S   1
  1      0.21112393506          1.0000000        
S   1
  1      0.16819370253          1.0000000        
S   1
  1      0.10097012277          1.0000000        
P   1
  1    651.51731342             1.0000000        
P   1
  1    178.76054283             1.0000000        
P   1
  1     45.882604530            1.0000000        
P   1
  1     17.934907727            1.0000000        
P   1
  1      8.5028837138           1.0000000        
P   1
  1      4.9875309129           1.0000000        
P   1
  1      2.4985806081           1.0000000        
P   1
  1      1.0312113374           1.0000000        
P   1
  1      0.61386614124          1.0000000        
P   1
  1      0.32392548305          1.0000000        
P   1
  1      0.21436798875          1.0000000        
P   1
  1      0.61726027149E-01            1.0000000        
D   1
  1    149.30578023             1.0000000        
D   1
  1     45.293174370            1.0000000        
D   1
  1     20.175570595            1.0000000        
D   1
  1      9.7038224241           1.0000000        
D   1
  1      4.2376950279           1.0000000        
D   1
  1      2.1125023181           1.0000000        
D   1
  1      1.0211447120           1.0000000        
D   1
  1      0.53327423388          1.0000000        
D   1
  1      0.26631085886          1.0000000        
D   1
  1      0.12140285424          1.0000000        
F   1
  1     33.123492051            1.0000000        
F   1
  1      5.7561126112           1.0000000        
F   1
  1      3.1889332507           1.0000000        
F   1
  1      1.5497028553           1.0000000        
F   1
  1      0.82884437373          1.0000000        
F   1
  1      0.42776319283          1.0000000        
F   1
  1      0.25020605977          1.0000000        
F   1
  1      0.78839804389E-01            1.0000000        
G   1
  1     10.066909356            1.0000000        
G   1
  1      3.3366336353           1.0000000        
G   1
  1      1.8599146206           1.0000000        
G   1
  1      0.85441801953          1.0000000        
G   1
  1      0.41386726643          1.0000000        
G   1
  1      0.15245892100          1.0000000        
H   1
  1      3.9668093595           1.0000000        
H   1
  1      1.9902198895           1.0000000        
H   1
  1      0.78720807708          1.0000000        
H   1
  1      0.26417832143          1.0000000        
I   1
  1      3.1711378954           1.0000000        
I   1
  1      1.6625751750           1.0000000        
I   1
  1      0.63573316959          1.0000000        


name: aug-cc-pVTZ MP2 Fitting
description: N/A
elt: Cr
data:
CHROMIUM
S   1
  1   1997.8309640              1.0000000        
S   1
  1   1094.9027089              1.0000000        
S   1
  1    495.75444847             1.0000000        
S   1
  1    193.43844540             1.0000000        
S   1
  1     78.765071345            1.0000000        
S   1
  1     30.131500797            1.0000000        
S   1
  1     14.313016207            1.0000000        
S   1
  1      6.5548260635           1.0000000        
S   1
  1      3.9393063334           1.0000000        
S   1
  1      2.0100789019           1.0000000        
S   1
  1      1.0657694966           1.0000000        
S   1
  1      0.64897696751          1.0000000        
S   1
  1      0.36861853385          1.0000000        
S   1
  1      0.11489651564          1.0000000        
P   1
  1    652.96866972             1.0000000        
P   1
  1    175.06745702             1.0000000        
P   1
  1     39.791940104            1.0000000        
P   1
  1     16.068016552            1.0000000        
P   1
  1      6.7809778440           1.0000000        
P   1
  1      4.1302622868           1.0000000        
P   1
  1      2.1700703600           1.0000000        
P   1
  1      1.0124711063           1.0000000        
P   1
  1      0.54682788903          1.0000000        
P   1
  1      0.28931722507          1.0000000        
P   1
  1      0.12864638603          1.0000000        
P   1
  1      0.43082197534E-01            1.0000000        
D   1
  1    148.72213528             1.0000000        
D   1
  1     45.136917200            1.0000000        
D   1
  1     16.923446942            1.0000000        
D   1
  1      5.6694412881           1.0000000        
D   1
  1      3.0332160796           1.0000000        
D   1
  1      1.6131393126           1.0000000        
D   1
  1      0.94385047152          1.0000000        
D   1
  1      0.50087747480          1.0000000        
D   1
  1      0.14858461651          1.0000000        
D   1
  1      0.52146260984E-01            1.0000000        
F   1
  1     37.237009000            1.0000000        
F   1
  1      6.5273348213           1.0000000        
F   1
  1      3.9482575372           1.0000000        
F   1
  1      1.9254781802           1.0000000        
F   1
  1      1.1312413381           1.0000000        
F   1
  1      0.61891216295          1.0000000        
F   1
  1      0.25559464768          1.0000000        
F   1
  1      0.78468579617E-01            1.0000000        
G   1
  1     12.471977067            1.0000000        
G   1
  1      4.1997937331           1.0000000        
G   1
  1      2.5213180841           1.0000000        
G   1
  1      1.1894578741           1.0000000        
G   1
  1      0.64263941342          1.0000000        
G   1
  1      0.21423796126          1.0000000        
H   1
  1      5.1810976014           1.0000000        
H   1
  1      2.5266646403           1.0000000        
H   1
  1      1.1199769662           1.0000000        
H   1
  1      0.44207512449          1.0000000        
I   1
  1      4.1824976184           1.0000000        
I   1
  1      2.1649779872           1.0000000        
I   1
  1      0.94019830176          1.0000000        


name: aug-cc-pVTZ MP2 Fitting
description: N/A
elt: Mn
data:
MANGANESE
S   1
  1   2002.6066349              1.0000000        
S   1
  1   1097.8843062              1.0000000        
S   1
  1    497.56704016             1.0000000        
S   1
  1    196.46778137             1.0000000        
S   1
  1     84.873752718            1.0000000        
S   1
  1     32.572535289            1.0000000        
S   1
  1     10.232329573            1.0000000        
S   1
  1      5.2348740715           1.0000000        
S   1
  1      2.5533221583           1.0000000        
S   1
  1      1.2323383646           1.0000000        
S   1
  1      0.65650815191          1.0000000        
S   1
  1      0.35980094424          1.0000000        
S   1
  1      0.14689432162          1.0000000        
S   1
  1      0.55832474412E-01            1.0000000        
P   1
  1    653.76541156             1.0000000        
P   1
  1    183.28146010             1.0000000        
P   1
  1     52.256756362            1.0000000        
P   1
  1     16.738213942            1.0000000        
P   1
  1      9.0189541968           1.0000000        
P   1
  1      4.0827102657           1.0000000        
P   1
  1      1.8044868463           1.0000000        
P   1
  1      1.0176510784           1.0000000        
P   1
  1      0.57629676196          1.0000000        
P   1
  1      0.32567877418          1.0000000        
P   1
  1      0.16032993071          1.0000000        
P   1
  1      0.70235423438E-01            1.0000000        
D   1
  1    148.59713547             1.0000000        
D   1
  1     44.509352668            1.0000000        
D   1
  1     19.950122576            1.0000000        
D   1
  1      6.1613327881           1.0000000        
D   1
  1      3.3890560883           1.0000000        
D   1
  1      1.5231529875           1.0000000        
D   1
  1      0.84564500888          1.0000000        
D   1
  1      0.46821094781          1.0000000        
D   1
  1      0.21060829677          1.0000000        
D   1
  1      0.79605578147E-01            1.0000000        
F   1
  1     41.319260188            1.0000000        
F   1
  1      7.5956241930           1.0000000        
F   1
  1      4.5662527126           1.0000000        
F   1
  1      2.2878596322           1.0000000        
F   1
  1      1.2076174167           1.0000000        
F   1
  1      0.60683169939          1.0000000        
F   1
  1      0.33089631463          1.0000000        
F   1
  1      0.12014239837          1.0000000        
G   1
  1     14.099430547            1.0000000        
G   1
  1      4.9010793353           1.0000000        
G   1
  1      2.6743373910           1.0000000        
G   1
  1      1.2461349621           1.0000000        
G   1
  1      0.67516217891          1.0000000        
G   1
  1      0.26333106147          1.0000000        
H   1
  1      6.0833849554           1.0000000        
H   1
  1      3.0076543930           1.0000000        
H   1
  1      1.2930800963           1.0000000        
H   1
  1      0.47895616768          1.0000000        
I   1
  1      4.2004250123           1.0000000        
I   1
  1      2.2521907663           1.0000000        
I   1
  1      1.0590900816           1.0000000        


name: aug-cc-pVTZ MP2 Fitting
description: N/A
elt: Fe
data:
IRON
S   1
  1   2005.9218420              1.0000000        
S   1
  1   1100.9403153              1.0000000        
S   1
  1    503.12013311             1.0000000        
S   1
  1    200.00437784             1.0000000        
S   1
  1     86.694806501            1.0000000        
S   1
  1     34.979437577            1.0000000        
S   1
  1     11.099668839            1.0000000        
S   1
  1      4.9195496243           1.0000000        
S   1
  1      2.6757293972           1.0000000        
S   1
  1      1.4516603398           1.0000000        
S   1
  1      0.66807699046          1.0000000        
S   1
  1      0.33466849851          1.0000000        
S   1
  1      0.17791959762          1.0000000        
S   1
  1      0.78505367625E-01            1.0000000        
P   1
  1    649.92077081             1.0000000        
P   1
  1    184.40455742             1.0000000        
P   1
  1     39.948122871            1.0000000        
P   1
  1     16.677242918            1.0000000        
P   1
  1      9.3398798481           1.0000000        
P   1
  1      3.9577899211           1.0000000        
P   1
  1      1.9816170544           1.0000000        
P   1
  1      0.95260696506          1.0000000        
P   1
  1      0.47846273333          1.0000000        
P   1
  1      0.20739085711          1.0000000        
P   1
  1      0.99436202116E-01            1.0000000        
P   1
  1      0.43850750943E-01            1.0000000        
D   1
  1    147.64159744             1.0000000        
D   1
  1     46.862506686            1.0000000        
D   1
  1     17.060537269            1.0000000        
D   1
  1      7.5465693567           1.0000000        
D   1
  1      3.8037043329           1.0000000        
D   1
  1      1.8064830156           1.0000000        
D   1
  1      0.91753465076          1.0000000        
D   1
  1      0.43933648441          1.0000000        
D   1
  1      0.18218361076          1.0000000        
D   1
  1      0.10397090188          1.0000000        
F   1
  1     42.320439914            1.0000000        
F   1
  1      9.9588100880           1.0000000        
F   1
  1      5.2595206644           1.0000000        
F   1
  1      2.7105343913           1.0000000        
F   1
  1      1.2476169054           1.0000000        
F   1
  1      0.64578851847          1.0000000        
F   1
  1      0.27020320643          1.0000000        
F   1
  1      0.95352199223E-01            1.0000000        
G   1
  1     15.190367514            1.0000000        
G   1
  1      5.2539096931           1.0000000        
G   1
  1      2.6248471732           1.0000000        
G   1
  1      1.1670142850           1.0000000        
G   1
  1      0.54937932133          1.0000000        
G   1
  1      0.21088451236          1.0000000        
H   1
  1      7.0413552771           1.0000000        
H   1
  1      3.5830975743           1.0000000        
H   1
  1      1.4751069368           1.0000000        
H   1
  1      0.52753239378          1.0000000        
I   1
  1      6.4250686900           1.0000000        
I   1
  1      3.0964851254           1.0000000        
I   1
  1      1.2778600368           1.0000000        


name: aug-cc-pVTZ MP2 Fitting
description: N/A
elt: Co
data:
COBALT
S   1
  1   1994.9171666              1.0000000        
S   1
  1   1096.0888007              1.0000000        
S   1
  1    491.85196500             1.0000000        
S   1
  1    192.48346968             1.0000000        
S   1
  1     84.147734876            1.0000000        
S   1
  1     33.831274963            1.0000000        
S   1
  1      9.9489571904           1.0000000        
S   1
  1      4.0799974603           1.0000000        
S   1
  1      2.1172344765           1.0000000        
S   1
  1      1.1866664364           1.0000000        
S   1
  1      0.46701924243          1.0000000        
S   1
  1      0.15619495587          1.0000000        
S   1
  1      0.96716543899E-01            1.0000000        
S   1
  1      0.42882729146E-01            1.0000000        
P   1
  1    649.14976212             1.0000000        
P   1
  1    181.90838555             1.0000000        
P   1
  1     43.037406949            1.0000000        
P   1
  1     14.622622921            1.0000000        
P   1
  1      6.1591872268           1.0000000        
P   1
  1      2.8463859603           1.0000000        
P   1
  1      1.8194353721           1.0000000        
P   1
  1      1.0283785291           1.0000000        
P   1
  1      0.58744930257          1.0000000        
P   1
  1      0.24599669908          1.0000000        
P   1
  1      0.99016159447E-01            1.0000000        
P   1
  1      0.41284449046E-01            1.0000000        
D   1
  1    150.04639635             1.0000000        
D   1
  1     44.275282438            1.0000000        
D   1
  1     19.966986036            1.0000000        
D   1
  1      8.0611327311           1.0000000        
D   1
  1      4.2617262131           1.0000000        
D   1
  1      2.1335274055           1.0000000        
D   1
  1      1.1103310825           1.0000000        
D   1
  1      0.59113105477          1.0000000        
D   1
  1      0.23743138879          1.0000000        
D   1
  1      0.99391065889E-01            1.0000000        
F   1
  1     50.094744065            1.0000000        
F   1
  1      9.5708408155           1.0000000        
F   1
  1      6.1925553504           1.0000000        
F   1
  1      3.0466088088           1.0000000        
F   1
  1      1.5813323140           1.0000000        
F   1
  1      0.73156368102          1.0000000        
F   1
  1      0.41485884484          1.0000000        
F   1
  1      0.14651551236          1.0000000        
G   1
  1     18.379020559            1.0000000        
G   1
  1      6.4852954256           1.0000000        
G   1
  1      3.6671325974           1.0000000        
G   1
  1      1.6509237559           1.0000000        
G   1
  1      0.89838914136          1.0000000        
G   1
  1      0.34574956063          1.0000000        
H   1
  1      8.3852211460           1.0000000        
H   1
  1      4.1901331152           1.0000000        
H   1
  1      1.8390675210           1.0000000        
H   1
  1      0.69294208028          1.0000000        
I   1
  1      6.4817058195           1.0000000        
I   1
  1      3.5035095694           1.0000000        
I   1
  1      1.5845433458           1.0000000        


name: aug-cc-pVTZ MP2 Fitting
description: N/A
elt: Ni
data:
NICKEL
S   1
  1   1997.6747908              1.0000000        
S   1
  1   1097.1365951              1.0000000        
S   1
  1    495.73978063             1.0000000        
S   1
  1    195.97759386             1.0000000        
S   1
  1     87.155620799            1.0000000        
S   1
  1     35.141587627            1.0000000        
S   1
  1      9.7003468892           1.0000000        
S   1
  1      5.6252388467           1.0000000        
S   1
  1      3.3479619395           1.0000000        
S   1
  1      1.5003065663           1.0000000        
S   1
  1      0.96519854683          1.0000000        
S   1
  1      0.48134893512          1.0000000        
S   1
  1      0.16701210693          1.0000000        
S   1
  1      0.37466374760E-01            1.0000000        
P   1
  1    638.26801901             1.0000000        
P   1
  1    184.23739839             1.0000000        
P   1
  1     48.819981663            1.0000000        
P   1
  1     15.701999265            1.0000000        
P   1
  1      6.9487018494           1.0000000        
P   1
  1      3.4505881417           1.0000000        
P   1
  1      2.0373185885           1.0000000        
P   1
  1      1.1798222376           1.0000000        
P   1
  1      0.57208409474          1.0000000        
P   1
  1      0.24111736567          1.0000000        
P   1
  1      0.10746958651          1.0000000        
P   1
  1      0.23779581862E-01            1.0000000        
D   1
  1    146.48880217             1.0000000        
D   1
  1     44.747015569            1.0000000        
D   1
  1     19.494456203            1.0000000        
D   1
  1     10.266568895            1.0000000        
D   1
  1      4.6581229043           1.0000000        
D   1
  1      2.6005080760           1.0000000        
D   1
  1      1.3012663193           1.0000000        
D   1
  1      0.58890617969          1.0000000        
D   1
  1      0.23646633754          1.0000000        
D   1
  1      0.17252457502          1.0000000        
F   1
  1     54.069576000            1.0000000        
F   1
  1     11.099834079            1.0000000        
F   1
  1      6.7118980974           1.0000000        
F   1
  1      3.4928234802           1.0000000        
F   1
  1      1.6683735961           1.0000000        
F   1
  1      0.72144704156          1.0000000        
F   1
  1      0.32545859359          1.0000000        
F   1
  1      0.14223650190          1.0000000        
G   1
  1     19.839861288            1.0000000        
G   1
  1      7.0652712007           1.0000000        
G   1
  1      3.8005619024           1.0000000        
G   1
  1      1.7317767710           1.0000000        
G   1
  1      0.78831749133          1.0000000        
G   1
  1      0.28517676041          1.0000000        
H   1
  1      9.6757405122           1.0000000        
H   1
  1      4.9092445963           1.0000000        
H   1
  1      2.1173648723           1.0000000        
H   1
  1      0.75953047425          1.0000000        
I   1
  1      7.5939716506           1.0000000        
I   1
  1      4.1429406424           1.0000000        
I   1
  1      1.8742449469           1.0000000        


name: aug-cc-pVTZ MP2 Fitting
description: N/A
elt: Cu
data:
COPPER
S   1
  1   1988.3943331              1.0000000        
S   1
  1   1097.6031754              1.0000000        
S   1
  1    487.37158842             1.0000000        
S   1
  1    188.99742634             1.0000000        
S   1
  1     88.296191501            1.0000000        
S   1
  1     41.741334470            1.0000000        
S   1
  1     11.348373925            1.0000000        
S   1
  1      5.1923780765           1.0000000        
S   1
  1      2.4030648701           1.0000000        
S   1
  1      1.3038730326           1.0000000        
S   1
  1      0.65644550072          1.0000000        
S   1
  1      0.26113372227          1.0000000        
S   1
  1      0.15633704072          1.0000000        
S   1
  1      0.88486014425E-01            1.0000000        
P   1
  1    544.37919462             1.0000000        
P   1
  1    169.94322582             1.0000000        
P   1
  1     46.298367013            1.0000000        
P   1
  1     18.709714488            1.0000000        
P   1
  1     10.919530994            1.0000000        
P   1
  1      5.0483956555           1.0000000        
P   1
  1      2.4642084474           1.0000000        
P   1
  1      1.3923761990           1.0000000        
P   1
  1      0.60123889547          1.0000000        
P   1
  1      0.28424810230          1.0000000        
P   1
  1      0.15664865850          1.0000000        
P   1
  1      0.81004901106E-01            1.0000000        
D   1
  1    143.23328678             1.0000000        
D   1
  1     35.079616426            1.0000000        
D   1
  1     14.343136515            1.0000000        
D   1
  1      8.8025938565           1.0000000        
D   1
  1      4.4503116420           1.0000000        
D   1
  1      2.3012884705           1.0000000        
D   1
  1      1.4858584764           1.0000000        
D   1
  1      0.66345007976          1.0000000        
D   1
  1      0.27729818911          1.0000000        
D   1
  1      0.11908368207          1.0000000        
F   1
  1     60.474497698            1.0000000        
F   1
  1     11.827049352            1.0000000        
F   1
  1      7.9573367981           1.0000000        
F   1
  1      4.0635911790           1.0000000        
F   1
  1      2.0095561906           1.0000000        
F   1
  1      0.92059006097          1.0000000        
F   1
  1      0.54126196249          1.0000000        
F   1
  1      0.27300843581          1.0000000        
G   1
  1     23.344023298            1.0000000        
G   1
  1      8.2968740238           1.0000000        
G   1
  1      4.8120260243           1.0000000        
G   1
  1      2.1788387939           1.0000000        
G   1
  1      1.1629222161           1.0000000        
G   1
  1      0.44552809251          1.0000000        
H   1
  1     11.128671950            1.0000000        
H   1
  1      5.7735262465           1.0000000        
H   1
  1      2.4851190600           1.0000000        
H   1
  1      0.91520105376          1.0000000        
I   1
  1      8.8104756455           1.0000000        
I   1
  1      4.7968659582           1.0000000        
I   1
  1      2.2959415073           1.0000000        


name: aug-cc-pVTZ MP2 Fitting
description: N/A
elt: Zn
data:
ZINC
S   1
  1   1983.9146450              1.0000000        
S   1
  1   1087.2438282              1.0000000        
S   1
  1    479.62177968             1.0000000        
S   1
  1    175.95286833             1.0000000        
S   1
  1     74.202151189            1.0000000        
S   1
  1     38.667200183            1.0000000        
S   1
  1     10.236101439            1.0000000        
S   1
  1      6.2204086909           1.0000000        
S   1
  1      2.1271896267           1.0000000        
S   1
  1      1.1159401609           1.0000000        
S   1
  1      0.37325935282          1.0000000        
S   1
  1      0.16674317060          1.0000000        
S   1
  1      0.12483945329          1.0000000        
S   1
  1      0.68468430031E-01            1.0000000        
P   1
  1    539.01328113             1.0000000        
P   1
  1    157.63172978             1.0000000        
P   1
  1     49.627453821            1.0000000        
P   1
  1     19.403112464            1.0000000        
P   1
  1      7.3658598057           1.0000000        
P   1
  1      5.1076186398           1.0000000        
P   1
  1      1.6863645923           1.0000000        
P   1
  1      1.1929528778           1.0000000        
P   1
  1      0.54459548780          1.0000000        
P   1
  1      0.21695148649          1.0000000        
P   1
  1      0.12138312420          1.0000000        
P   1
  1      0.65315080686E-01            1.0000000        
D   1
  1    132.71269142             1.0000000        
D   1
  1     33.932639377            1.0000000        
D   1
  1     15.656265046            1.0000000        
D   1
  1      8.1524450833           1.0000000        
D   1
  1      4.7833990302           1.0000000        
D   1
  1      2.2141648328           1.0000000        
D   1
  1      1.5668347800           1.0000000        
D   1
  1      0.75068249198          1.0000000        
D   1
  1      0.35997188208          1.0000000        
D   1
  1      0.15754762963          1.0000000        
F   1
  1     67.751331438            1.0000000        
F   1
  1     12.636572349            1.0000000        
F   1
  1     10.926306756            1.0000000        
F   1
  1      5.1091869559           1.0000000        
F   1
  1      2.6193081217           1.0000000        
F   1
  1      1.4754561008           1.0000000        
F   1
  1      0.71255689329          1.0000000        
F   1
  1      0.44097770518          1.0000000        
G   1
  1     27.246512773            1.0000000        
G   1
  1      9.9101533886           1.0000000        
G   1
  1      6.1151618791           1.0000000        
G   1
  1      2.7707126798           1.0000000        
G   1
  1      1.6312211342           1.0000000        
G   1
  1      0.62543387250          1.0000000        
H   1
  1     12.917411694            1.0000000        
H   1
  1      6.8009803285           1.0000000        
H   1
  1      2.9731757098           1.0000000        
H   1
  1      1.1348430531           1.0000000        
I   1
  1     10.806578715            1.0000000        
I   1
  1      5.8819272669           1.0000000        
I   1
  1      2.8828645211           1.0000000        


name: aug-cc-pVTZ-DK Diffuse
description: 1D Diffuse Functions
elt: Sc
data:
SCANDIUM
S   1
  1      0.0111000              1.0000000        
P   1
  1      0.0106600              1.0000000        
D   1
  1      0.0124400              1.0000000        
F   1
  1      0.0406300              1.0000000        
G   1
  1      0.0947300              1.0000000        


name: aug-cc-pVTZ-DK Diffuse
description: 1D Diffuse Functions
elt: Ti
data:
TITANIUM
S   1
  1      0.0117300              1.0000000        
P   1
  1      0.0117200              1.0000000        
D   1
  1      0.0171200              1.0000000        
F   1
  1      0.0806900              1.0000000        
G   1
  1      0.2041300              1.0000000        


name: aug-cc-pVTZ-DK Diffuse
description: 1D Diffuse Functions
elt: V
data:
VANADIUM
S   1
  1      0.0123200              1.0000000        
P   1
  1      0.0124000              1.0000000        
D   1
  1      0.0224000              1.0000000        
F   1
  1      0.1281300              1.0000000        
G   1
  1      0.3721200              1.0000000        


name: aug-cc-pVTZ-DK Diffuse
description: 1D Diffuse Functions
elt: Cr
data:
CHROMIUM
S   1
  1      0.0124700              1.0000000        
P   1
  1      0.0130700              1.0000000        
D   1
  1      0.0249800              1.0000000        
F   1
  1      0.1724900              1.0000000        
G   1
  1      0.4989600              1.0000000        


name: aug-cc-pVTZ-DK Diffuse
description: 1D Diffuse Functions
elt: Mn
data:
MANGANESE
S   1
  1      0.0133500              1.0000000        
P   1
  1      0.0137600              1.0000000        
D   1
  1      0.0285300              1.0000000        
F   1
  1      0.2176400              1.0000000        
G   1
  1      0.6143600              1.0000000        


name: aug-cc-pVTZ-DK Diffuse
description: 1D Diffuse Functions
elt: Fe
data:
IRON
S   1
  1      0.0140100              1.0000000        
P   1
  1      0.0140100              1.0000000        
D   1
  1      0.0321600              1.0000000        
F   1
  1      0.2672300              1.0000000        
G   1
  1      0.7642600              1.0000000        


name: aug-cc-pVTZ-DK Diffuse
description: 1D Diffuse Functions
elt: Co
data:
COBALT
S   1
  1      0.0145900              1.0000000        
P   1
  1      0.0152000              1.0000000        
D   1
  1      0.0359800              1.0000000        
F   1
  1      0.3204100              1.0000000        
G   1
  1      0.9281600              1.0000000        


name: aug-cc-pVTZ-DK Diffuse
description: 1D Diffuse Functions
elt: Ni
data:
NICKEL
S   1
  1      0.0151600              1.0000000        
P   1
  1      0.0149400              1.0000000        
D   1
  1      0.0399900              1.0000000        
F   1
  1      0.3772500              1.0000000        
G   1
  1      1.1744600              1.0000000        


name: aug-cc-pVTZ-DK Diffuse
description: 1D Diffuse Functions
elt: Cu
data:
COPPER
S   1
  1      0.0157200              1.0000000        
P   1
  1      0.0153800              1.0000000        
D   1
  1      0.0648900              1.0000000        
F   1
  1      0.4516500              1.0000000        
G   1
  1      1.4055600              1.0000000        


name: aug-cc-pVTZ-DK Diffuse
description: 1D Diffuse Functions
elt: Zn
data:
ZINC
S   1
  1      0.0162300              1.0000000        
P   1
  1      0.0158200              1.0000000        
D   1
  1      0.0889700              1.0000000        
F   1
  1      0.5365400              1.0000000        
G   1
  1      1.7512600              1.0000000        


name: aug-cc-pVTZ-DK Diffuse
description: 1D Diffuse Functions
elt: Kr
data:
KRYPTON
S   1
  1      0.0519850              1.0000000        
P   1
  1      0.0400330              1.0000000        
D   1
  1      0.1257000              1.0000000        
F   1
  1      0.3280000              1.0000000        


name: aug-cc-pVTZ-DK Diffuse
description: 1D Diffuse Functions
elt: Y
data:
YTTRIUM
S   1
  1      0.0105000              1.0000000        
P   1
  1      0.0094000              1.0000000        
D   1
  1      0.0114000              1.0000000        
F   1
  1      0.0363000              1.0000000        
G   1
  1      0.0792000              1.0000000        


name: aug-cc-pVTZ-DK Diffuse
description: 1D Diffuse Functions
elt: Zr
data:
ZIRCONIUM
S   1
  1      0.0112000              1.0000000        
P   1
  1      0.0105000              1.0000000        
D   1
  1      0.0149000              1.0000000        
F   1
  1      0.0631000              1.0000000        
G   1
  1      0.1377000              1.0000000        


name: aug-cc-pVTZ-DK Diffuse
description: 1D Diffuse Functions
elt: Nb
data:
NIOBIUM
S   1
  1      0.0117000              1.0000000        
P   1
  1      0.0112000              1.0000000        
D   1
  1      0.0189000              1.0000000        
F   1
  1      0.0921000              1.0000000        
G   1
  1      0.2175000              1.0000000        


name: aug-cc-pVTZ-DK Diffuse
description: 1D Diffuse Functions
elt: Mo
data:
MOLYBDENUM
S   1
  1      0.0124000              1.0000000        
P   1
  1      0.0119000              1.0000000        
D   1
  1      0.0201000              1.0000000        
F   1
  1      0.1190000              1.0000000        
G   1
  1      0.2855000              1.0000000        


name: aug-cc-pVTZ-DK Diffuse
description: 1D Diffuse Functions
elt: Tc
data:
TECHNETIUM
S   1
  1      0.0127000              1.0000000        
P   1
  1      0.0123000              1.0000000        
D   1
  1      0.0235000              1.0000000        
F   1
  1      0.1460000              1.0000000        
G   1
  1      0.3554000              1.0000000        


name: aug-cc-pVTZ-DK Diffuse
description: 1D Diffuse Functions
elt: Ru
data:
RUTHENIUM
S   1
  1      0.0132000              1.0000000        
P   1
  1      0.0123000              1.0000000        
D   1
  1      0.0261000              1.0000000        
F   1
  1      0.1757000              1.0000000        
G   1
  1      0.4376000              1.0000000        


name: aug-cc-pVTZ-DK Diffuse
description: 1D Diffuse Functions
elt: Rh
data:
RHODIUM
S   1
  1      0.0140000              1.0000000        
P   1
  1      0.0136000              1.0000000        
D   1
  1      0.0290000              1.0000000        
F   1
  1      0.2080000              1.0000000        
G   1
  1      0.5224000              1.0000000        


name: aug-cc-pVTZ-DK Diffuse
description: 1D Diffuse Functions
elt: Pd
data:
PALLADIUM
S   1
  1      0.0142000              1.0000000        
P   1
  1      0.0131000              1.0000000        
D   1
  1      0.0320000              1.0000000        
F   1
  1      0.2424000              1.0000000        
G   1
  1      0.6192000              1.0000000        


name: aug-cc-pVTZ-NR Diffuse
description: corrected diffuse functions for aug-cc-pVTZ for Sc
elt: Sc
data:
SCANDIUM
S   1
  1      1.110000E-02           1.0000000        
P   1
  1      1.066000E-02           1.0000000        
D   1
  1      1.244000E-02           1.0000000        
F   1
  1      4.063000E-02           1.0000000        
G   1
  1      9.473000E-02           1.0000000        


name: aug-cc-pVTZ-DK
description: VTZ2P All-electron Douglas-Kroll Valence Triple Zeta + Polarization
elt: H
data:
HYDROGEN
S   3
  1     33.8700000              0.0060773        
  2      5.0950000              0.0453176        
  3      1.1590000              0.2028364        
S   1
  1      0.3258000              1.0000000        
S   1
  1      0.1027000              1.0000000        
S   1
  1      0.0252600              1.0000000        
P   1
  1      1.4070000              1.0000000        
P   1
  1      0.3880000              1.0000000        
P   1
  1      0.1020000              1.0000000        
D   1
  1      1.0570000              1.0000000        
D   1
  1      0.2470000              1.0000000        


name: aug-cc-pVTZ-DK
description: VTZ2P All-electron Douglas-Kroll Valence Triple Zeta + Polarization
elt: He
data:
HELIUM
S   4
  1    234.0000000              0.0026127        
  2     35.1600000              0.0195588        
  3      7.9890000              0.0910316        
  4      2.2120000              0.2720643        
S   1
  1      0.6669000              1.0000000        
S   1
  1      0.2089000              1.0000000        
S   1
  1      0.0513800              1.0000000        
P   1
  1      3.0440000              1.0000000        
P   1
  1      0.7580000              1.0000000        
P   1
  1      0.1993000              1.0000000        
D   1
  1      1.9650000              1.0000000        
D   1
  1      0.4592000              1.0000000        


name: aug-cc-pVTZ-DK
description: VTZ2P All-electron Douglas-Kroll Valence Triple Zeta + Polarization
elt: Li
data:
LITHIUM
S   9
  1   5988.0000000              0.0001590        
  2    898.9000000              0.0010523        
  3    205.9000000              0.0053137        
  4     59.2400000              0.0209831        
  5     19.8700000              0.0664049        
  6      7.4060000              0.1658220        
  7      2.9300000              0.3150359        
  8      1.1890000              0.3934631        
  9      0.4798000              0.1908184        
S   9
  1   5988.0000000             -0.0000248        
  2    898.9000000             -0.0001652        
  3    205.9000000             -0.0008272        
  4     59.2400000             -0.0033354        
  5     19.8700000             -0.0105312        
  6      7.4060000             -0.0281109        
  7      2.9300000             -0.0559366        
  8      1.1890000             -0.0992549        
  9      0.4798000             -0.1121221        
S   1
  1      0.0750900              1.0000000        
S   1
  1      0.0283200              1.0000000        
S   1
  1      0.0076000              1.0000000        
P   3
  1      3.2660000              0.0086331        
  2      0.6511000              0.0475337        
  3      0.1696000              0.2097708        
P   1
  1      0.0557800              1.0000000        
P   1
  1      0.0205000              1.0000000        
P   1
  1      0.0091000              1.0000000        
D   1
  1      0.1874000              1.0000000        
D   1
  1      0.0801000              1.0000000        
D   1
  1      0.0371000              1.0000000        
F   1
  1      0.1829000              1.0000000        
F   1
  1      0.0816000              1.0000000        


name: aug-cc-pVTZ-DK
description: VTZ2P All-electron Douglas-Kroll Valence Triple Zeta + Polarization
elt: Be
data:
BERYLLIUM
S   9
  1   6863.0000000              0.0002897        
  2   1030.0000000              0.0018847        
  3    234.7000000              0.0095429        
  4     66.5600000              0.0380762        
  5     21.6900000              0.1200942        
  6      7.7340000              0.2822115        
  7      2.9160000              0.4273153        
  8      1.1300000              0.2661276        
  9      0.1101000             -0.0072870        
S   9
  1   6863.0000000             -0.0000529        
  2   1030.0000000             -0.0003433        
  3    234.7000000             -0.0017537        
  4     66.5600000             -0.0070364        
  5     21.6900000             -0.0231606        
  6      7.7340000             -0.0581609        
  7      2.9160000             -0.1145859        
  8      1.1300000             -0.1357835        
  9      0.1101000              0.5773731        
S   1
  1      0.2577000              1.0000000        
S   1
  1      0.0440900              1.0000000        
S   1
  1      0.0150300              1.0000000        
P   3
  1      7.4360000              0.0107482        
  2      1.5770000              0.0628561        
  3      0.4352000              0.2481982        
P   1
  1      0.1438000              1.0000000        
P   1
  1      0.0499400              1.0000000        
P   1
  1      0.0070600              1.0000000        
D   1
  1      0.3480000              1.0000000        
D   1
  1      0.1803000              1.0000000        
D   1
  1      0.0654000              1.0000000        
F   1
  1      0.3250000              1.0000000        
F   1
  1      0.1533000              1.0000000        


name: aug-cc-pVTZ-DK
description: VTZ2P All-electron Douglas-Kroll Valence Triple Zeta + Polarization
elt: B
data:
BORON
S   8
  1   5473.0000000              0.0006618        
  2    820.9000000              0.0044078        
  3    186.8000000              0.0221381        
  4     52.8300000              0.0846659        
  5     17.0800000              0.2387201        
  6      5.9990000              0.4349692        
  7      2.2080000              0.3416948        
  8      0.2415000             -0.0095262        
S   8
  1   5473.0000000             -0.0001338        
  2    820.9000000             -0.0008927        
  3    186.8000000             -0.0045253        
  4     52.8300000             -0.0177437        
  5     17.0800000             -0.0537048        
  6      5.9990000             -0.1190598        
  7      2.2080000             -0.1656727        
  8      0.2415000              0.5959798        
S   1
  1      0.5879000              1.0000000        
S   1
  1      0.0861000              1.0000000        
S   1
  1      0.0291400              1.0000000        
P   3
  1     12.0500000              0.0131399        
  2      2.6130000              0.0799035        
  3      0.7475000              0.2772102        
P   1
  1      0.2385000              1.0000000        
P   1
  1      0.0769800              1.0000000        
P   1
  1      0.0209600              1.0000000        
D   1
  1      0.6610000              1.0000000        
D   1
  1      0.1990000              1.0000000        
D   1
  1      0.0604000              1.0000000        
F   1
  1      0.4900000              1.0000000        
F   1
  1      0.1630000              1.0000000        


name: aug-cc-pVTZ-DK
description: VTZ2P All-electron Douglas-Kroll Valence Triple Zeta + Polarization
elt: C
data:
CARBON
S   8
  1   8236.0000000              0.0006772        
  2   1235.0000000              0.0042785        
  3    280.8000000              0.0213576        
  4     79.2700000              0.0821858        
  5     25.5900000              0.2350715        
  6      8.9970000              0.4342613        
  7      3.3190000              0.3457333        
  8      0.3643000             -0.0089547        
S   8
  1   8236.0000000             -0.0001445        
  2   1235.0000000             -0.0009156        
  3    280.8000000             -0.0046031        
  4     79.2700000             -0.0182284        
  5     25.5900000             -0.0558690        
  6      8.9970000             -0.1269889        
  7      3.3190000             -0.1701050        
  8      0.3643000              0.5986760        
S   1
  1      0.9059000              1.0000000        
S   1
  1      0.1285000              1.0000000        
S   1
  1      0.0440200              1.0000000        
P   3
  1     18.7100000              0.0140738        
  2      4.1330000              0.0869016        
  3      1.2000000              0.2902016        
P   1
  1      0.3827000              1.0000000        
P   1
  1      0.1209000              1.0000000        
P   1
  1      0.0356900              1.0000000        
D   1
  1      1.0970000              1.0000000        
D   1
  1      0.3180000              1.0000000        
D   1
  1      0.1000000              1.0000000        
F   1
  1      0.7610000              1.0000000        
F   1
  1      0.2680000              1.0000000        


name: aug-cc-pVTZ-DK
description: VTZ2P All-electron Douglas-Kroll Valence Triple Zeta + Polarization
elt: N
data:
NITROGEN
S   8
  1  11420.0000000              0.0007127        
  2   1712.0000000              0.0042813        
  3    389.3000000              0.0211421        
  4    110.0000000              0.0811887        
  5     35.5700000              0.2334368        
  6     12.5400000              0.4333154        
  7      4.6440000              0.3469116        
  8      0.5118000             -0.0084838        
S   8
  1  11420.0000000             -0.0001573        
  2   1712.0000000             -0.0009485        
  3    389.3000000             -0.0047127        
  4    110.0000000             -0.0186658        
  5     35.5700000             -0.0575021        
  6     12.5400000             -0.1322177        
  7      4.6440000             -0.1721464        
  8      0.5118000              0.5999371        
S   1
  1      1.2930000              1.0000000        
S   1
  1      0.1787000              1.0000000        
S   1
  1      0.0576000              1.0000000        
P   3
  1     26.6300000              0.0147368        
  2      5.9480000              0.0918329        
  3      1.7420000              0.2986885        
P   1
  1      0.5550000              1.0000000        
P   1
  1      0.1725000              1.0000000        
P   1
  1      0.0491000              1.0000000        
D   1
  1      1.6540000              1.0000000        
D   1
  1      0.4690000              1.0000000        
D   1
  1      0.1510000              1.0000000        
F   1
  1      1.0930000              1.0000000        
F   1
  1      0.3640000              1.0000000        


name: aug-cc-pVTZ-DK
description: VTZ2P All-electron Douglas-Kroll Valence Triple Zeta + Polarization
elt: O
data:
OXYGEN
S   8
  1  15330.0000000              0.0007428        
  2   2299.0000000              0.0042405        
  3    522.4000000              0.0207194        
  4    147.3000000              0.0797931        
  5     47.5500000              0.2311816        
  6     16.7600000              0.4328845        
  7      6.2070000              0.3495073        
  8      0.6882000             -0.0081229        
S   8
  1  15330.0000000             -0.0001688        
  2   2299.0000000             -0.0009679        
  3    522.4000000             -0.0047549        
  4    147.3000000             -0.0189126        
  5     47.5500000             -0.0586914        
  6     16.7600000             -0.1366626        
  7      6.2070000             -0.1752353        
  8      0.6882000              0.6033925        
S   1
  1      1.7520000              1.0000000        
S   1
  1      0.2384000              1.0000000        
S   1
  1      0.0737600              1.0000000        
P   3
  1     34.4600000              0.0160267        
  2      7.7490000              0.0998490        
  3      2.2800000              0.3105086        
P   1
  1      0.7156000              1.0000000        
P   1
  1      0.2140000              1.0000000        
P   1
  1      0.0597400              1.0000000        
D   1
  1      2.3140000              1.0000000        
D   1
  1      0.6450000              1.0000000        
D   1
  1      0.2140000              1.0000000        
F   1
  1      1.4280000              1.0000000        
F   1
  1      0.5000000              1.0000000        


name: aug-cc-pVTZ-DK
description: VTZ2P All-electron Douglas-Kroll Valence Triple Zeta + Polarization
elt: F
data:
FLUORINE
S   8
  1  19500.0000000              0.0007913        
  2   2923.0000000              0.0043210        
  3    664.5000000              0.0208039        
  4    187.5000000              0.0797933        
  5     60.6200000              0.2310785        
  6     21.4200000              0.4325780        
  7      7.9500000              0.3489945        
  8      0.8815000             -0.0078525        
S   8
  1  19500.0000000             -0.0001835        
  2   2923.0000000             -0.0010071        
  3    664.5000000             -0.0048719        
  4    187.5000000             -0.0193323        
  5     60.6200000             -0.0599582        
  6     21.4200000             -0.1402744        
  7      7.9500000             -0.1761052        
  8      0.8815000              0.6049737        
S   1
  1      2.2570000              1.0000000        
S   1
  1      0.3041000              1.0000000        
S   1
  1      0.0915800              1.0000000        
P   3
  1     43.8800000              0.0168000        
  2      9.9260000              0.1046299        
  3      2.9300000              0.3172873        
P   1
  1      0.9132000              1.0000000        
P   1
  1      0.2672000              1.0000000        
P   1
  1      0.0736100              1.0000000        
D   1
  1      3.1070000              1.0000000        
D   1
  1      0.8550000              1.0000000        
D   1
  1      0.2920000              1.0000000        
F   1
  1      1.9170000              1.0000000        
F   1
  1      0.7240000              1.0000000        


name: aug-cc-pVTZ-DK
description: VTZ2P All-electron Douglas-Kroll Valence Triple Zeta + Polarization
elt: Ne
data:
NEON
S   8
  1  24350.0000000              0.0008358        
  2   3650.0000000              0.0043745        
  3    829.6000000              0.0207423        
  4    234.0000000              0.0793936        
  5     75.6100000              0.2304832        
  6     26.7300000              0.4323621        
  7      9.9270000              0.3494274        
  8      1.1020000             -0.0075967        
S   8
  1  24350.0000000             -0.0001967        
  2   3650.0000000             -0.0010354        
  3    829.6000000             -0.0049308        
  4    234.0000000             -0.0195454        
  5     75.6100000             -0.0607585        
  6     26.7300000             -0.1428460        
  7      9.9270000             -0.1768425        
  8      1.1020000              0.6057343        
S   1
  1      2.8360000              1.0000000        
S   1
  1      0.3782000              1.0000000        
S   1
  1      0.1133000              1.0000000        
P   3
  1     54.7000000              0.0173278        
  2     12.4300000              0.1078707        
  3      3.6790000              0.3217252        
P   1
  1      1.1430000              1.0000000        
P   1
  1      0.3300000              1.0000000        
P   1
  1      0.0917500              1.0000000        
D   1
  1      4.0140000              1.0000000        
D   1
  1      1.0960000              1.0000000        
D   1
  1      0.3860000              1.0000000        
F   1
  1      2.5440000              1.0000000        
F   1
  1      1.0840000              1.0000000        


name: aug-cc-pVTZ-DK
description: VTZ2P All-electron Douglas-Kroll Valence Triple Zeta + Polarization
elt: Na
data:
SODIUM
S   14
  1 423000.0000000              0.0000890        
  2  63340.0000000              0.0003055        
  3  14410.0000000              0.0010495        
  4   4077.0000000              0.0035692        
  5   1328.0000000              0.0118412        
  6    478.6000000              0.0361339        
  7    186.2000000              0.0969663        
  8     76.9200000              0.2144124        
  9     33.3200000              0.3483759        
 10     15.0000000              0.3233780        
 11      6.8690000              0.1120091        
 12      2.6830000              0.0070223        
 13      1.1090000              0.0005966        
 14      0.0601500             -0.0000050        
S   14
  1 423000.0000000             -0.0000218        
  2  63340.0000000             -0.0000749        
  3  14410.0000000             -0.0002571        
  4   4077.0000000             -0.0008795        
  5   1328.0000000             -0.0029209        
  6    478.6000000             -0.0091129        
  7    186.2000000             -0.0251502        
  8     76.9200000             -0.0610296        
  9     33.3200000             -0.1167017        
 10     15.0000000             -0.1621266        
 11      6.8690000             -0.0422846        
 12      2.6830000              0.3395466        
 13      1.1090000              0.5607534        
 14      0.0601500              0.0040000        
S   14
  1 423000.0000000              0.0000033        
  2  63340.0000000              0.0000113        
  3  14410.0000000              0.0000387        
  4   4077.0000000              0.0001320        
  5   1328.0000000              0.0004406        
  6    478.6000000              0.0013683        
  7    186.2000000              0.0038100        
  8     76.9200000              0.0092122        
  9     33.3200000              0.0180161        
 10     15.0000000              0.0251437        
 11      6.8690000              0.0072823        
 12      2.6830000             -0.0616094        
 13      1.1090000             -0.1163041        
 14      0.0601500              0.6290489        
S   1
  1      0.4540000              1.0000000        
S   1
  1      0.0238200              1.0000000        
S   1
  1      0.0066500              1.0000000        
P   8
  1    243.3000000              0.0023360        
  2     57.3900000              0.0175708        
  3     18.1000000              0.0776875        
  4      6.5750000              0.2192534        
  5      2.5210000              0.3784065        
  6      0.9607000              0.3946998        
  7      0.3512000              0.1604432        
  8      0.0982700              0.0023645        
P   8
  1    243.3000000             -0.0002316        
  2     57.3900000             -0.0017602        
  3     18.1000000             -0.0077836        
  4      6.5750000             -0.0225358        
  5      2.5210000             -0.0384212        
  6      0.9607000             -0.0450032        
  7      0.3512000             -0.0191964        
  8      0.0982700              0.1827235        
P   1
  1      0.0373400              1.0000000        
P   1
  1      0.0150000              1.0000000        
P   1
  1      0.0070000              1.0000000        
D   1
  1      0.1367000              1.0000000        
D   1
  1      0.0636000              1.0000000        
D   1
  1      0.0223000              1.0000000        
F   1
  1      0.1397000              1.0000000        
F   1
  1      0.0714000              1.0000000        


name: aug-cc-pVTZ-DK
description: VTZ2P All-electron Douglas-Kroll Valence Triple Zeta + Polarization
elt: Mg
data:
MAGNESIUM
S   13
  1 164900.0000000              0.0002422        
  2  24710.0000000              0.0009215        
  3   5628.0000000              0.0035555        
  4   1596.0000000              0.0131266        
  5    521.0000000              0.0438767        
  6    188.0000000              0.1242674        
  7     73.0100000              0.2754606        
  8     29.9000000              0.4008546        
  9     12.5400000              0.2632257        
 10      4.3060000              0.0330029        
 11      1.8260000             -0.0043711        
 12      0.7417000              0.0020420        
 13      0.0761200              0.0007009        
S   13
  1 164900.0000000             -0.0000614        
  2  24710.0000000             -0.0002342        
  3   5628.0000000             -0.0009030        
  4   1596.0000000             -0.0033736        
  5    521.0000000             -0.0114009        
  6    188.0000000             -0.0341221        
  7     73.0100000             -0.0831202        
  8     29.9000000             -0.1595571        
  9     12.5400000             -0.1513356        
 10      4.3060000              0.1935020        
 11      1.8260000              0.5798608        
 12      0.7417000              0.3696639        
 13      0.0761200             -0.0115917        
S   13
  1 164900.0000000              0.0000118        
  2  24710.0000000              0.0000451        
  3   5628.0000000              0.0001742        
  4   1596.0000000              0.0006501        
  5    521.0000000              0.0022034        
  6    188.0000000              0.0066013        
  7     73.0100000              0.0162441        
  8     29.9000000              0.0316427        
  9     12.5400000              0.0312732        
 10      4.3060000             -0.0444516        
 11      1.8260000             -0.1516479        
 12      0.7417000             -0.2163940        
 13      0.0761200              0.5453010        
S   1
  1      0.1457000              1.0000000        
S   1
  1      0.0331000              1.0000000        
S   1
  1      0.0129000              1.0000000        
P   8
  1    316.9000000              0.0021856        
  2     74.8600000              0.0164985        
  3     23.7200000              0.0742262        
  4      8.6690000              0.2145337        
  5      3.3630000              0.3820475        
  6      1.3100000              0.3978887        
  7      0.4911000              0.1528155        
  8      0.2364000             -0.0043175        
P   8
  1    316.9000000             -0.0003462        
  2     74.8600000             -0.0026128        
  3     23.7200000             -0.0119341        
  4      8.6690000             -0.0349344        
  5      3.3630000             -0.0637955        
  6      1.3100000             -0.0700523        
  7      0.4911000             -0.0382229        
  8      0.2364000              0.1775221        
P   1
  1      0.0873300              1.0000000        
P   1
  1      0.0323700              1.0000000        
P   1
  1      0.0074500              1.0000000        
D   1
  1      0.1260000              1.0000000        
D   1
  1      0.2940000              1.0000000        
D   1
  1      0.0468000              1.0000000        
F   1
  1      0.2520000              1.0000000        
F   1
  1      0.0940000              1.0000000        


name: aug-cc-pVTZ-DK
description: VTZ2P All-electron Douglas-Kroll Valence Triple Zeta + Polarization
elt: Al
data:
ALUMINUM
S   13
  1 205500.0000000              0.0002486        
  2  30780.0000000              0.0009183        
  3   7006.0000000              0.0034388        
  4   1985.0000000              0.0124309        
  5    649.1000000              0.0411372        
  6    235.0000000              0.1165198        
  7     91.6200000              0.2617217        
  8     37.6700000              0.3953985        
  9     15.9100000              0.2827977        
 10      5.8500000              0.0440595        
 11      2.5420000             -0.0048440        
 12      1.0570000              0.0025850        
 13      0.1455000              0.0007132        
S   13
  1 205500.0000000             -0.0000649        
  2  30780.0000000             -0.0002401        
  3   7006.0000000             -0.0009000        
  4   1985.0000000             -0.0032826        
  5    649.1000000             -0.0110170        
  6    235.0000000             -0.0327430        
  7     91.6200000             -0.0809702        
  8     37.6700000             -0.1571116        
  9     15.9100000             -0.1667395        
 10      5.8500000              0.1299949        
 11      2.5420000              0.5619410        
 12      1.0570000              0.4337633        
 13      0.1455000             -0.0111008        
S   13
  1 205500.0000000              0.0000150        
  2  30780.0000000              0.0000554        
  3   7006.0000000              0.0002080        
  4   1985.0000000              0.0007579        
  5    649.1000000              0.0025517        
  6    235.0000000              0.0075909        
  7     91.6200000              0.0189792        
  8     37.6700000              0.0373779        
  9     15.9100000              0.0415027        
 10      5.8500000             -0.0362454        
 11      2.5420000             -0.1759455        
 12      1.0570000             -0.2747958        
 13      0.1455000              0.6521109        
S   1
  1      0.2931000              1.0000000        
S   1
  1      0.0565000              1.0000000        
S   1
  1      0.0221000              1.0000000        
P   7
  1    444.4000000              0.0017470        
  2    105.1000000              0.0133061        
  3     33.4700000              0.0616623        
  4     12.3300000              0.1882350        
  5      4.8690000              0.3604280        
  6      1.9610000              0.4080722        
  7      0.1888000              0.0097994        
P   7
  1    444.4000000             -0.0003076        
  2    105.1000000             -0.0024646        
  3     33.4700000             -0.0109375        
  4     12.3300000             -0.0364711        
  5      4.8690000             -0.0640394        
  6      1.9610000             -0.0970652        
  7      0.1888000              0.5027104        
P   1
  1      0.7834000              1.0000000        
P   1
  1      0.0555700              1.0000000        
P   1
  1      0.0146000              1.0000000        
D   1
  1      0.1090000              1.0000000        
D   1
  1      0.3330000              1.0000000        
D   1
  1      0.0356000              1.0000000        
F   1
  1      0.2440000              1.0000000        
F   1
  1      0.0858000              1.0000000        


name: aug-cc-pVTZ-DK
description: VTZ2P All-electron Douglas-Kroll Valence Triple Zeta + Polarization
elt: Si
data:
SILICON
S   13
  1 254900.0000000              0.0002529        
  2  38190.0000000              0.0009090        
  3   8690.0000000              0.0033025        
  4   2462.0000000              0.0116759        
  5    804.8000000              0.0383795        
  6    291.3000000              0.1092047        
  7    113.6000000              0.2490127        
  8     46.7500000              0.3899473        
  9     19.8200000              0.2998830        
 10      7.7080000              0.0553498        
 11      3.3400000             -0.0039710        
 12      1.4020000              0.0025494        
 13      0.2070000              0.0006001        
S   13
  1 254900.0000000             -0.0000676        
  2  38190.0000000             -0.0002434        
  3   8690.0000000             -0.0008863        
  4   2462.0000000             -0.0031552        
  5    804.8000000             -0.0105363        
  6    291.3000000             -0.0312848        
  7    113.6000000             -0.0785245        
  8     46.7500000             -0.1546506        
  9     19.8200000             -0.1786818        
 10      7.7080000              0.0834192        
 11      3.3400000              0.5485415        
 12      1.4020000              0.4767448        
 13      0.2070000             -0.0103212        
S   13
  1 254900.0000000              0.0000173        
  2  38190.0000000              0.0000624        
  3   8690.0000000              0.0002272        
  4   2462.0000000              0.0008085        
  5    804.8000000              0.0027076        
  6    291.3000000              0.0080506        
  7    113.6000000              0.0204261        
  8     46.7500000              0.0408728        
  9     19.8200000              0.0494300        
 10      7.7080000             -0.0259952        
 11      3.3400000             -0.1915191        
 12      1.4020000             -0.3167253        
 13      0.2070000              0.6807332        
S   1
  1      0.4387000              1.0000000        
S   1
  1      0.0794400              1.0000000        
S   1
  1      0.0330000              1.0000000        
P   7
  1    481.5000000              0.0020745        
  2    113.9000000              0.0156644        
  3     36.2300000              0.0719518        
  4     13.3400000              0.2134897        
  5      5.2520000              0.3902729        
  6      2.1200000              0.3932155        
  7      0.2528000              0.0039858        
P   7
  1    481.5000000             -0.0004381        
  2    113.9000000             -0.0034247        
  3     36.2300000             -0.0154023        
  4     13.3400000             -0.0489931        
  5      5.2520000             -0.0854192        
  6      2.1200000             -0.1119097        
  7      0.2528000              0.5513707        
P   1
  1      0.8561000              1.0000000        
P   1
  1      0.0788900              1.0000000        
P   1
  1      0.0237000              1.0000000        
D   1
  1      0.1590000              1.0000000        
D   1
  1      0.4810000              1.0000000        
D   1
  1      0.0556000              1.0000000        
F   1
  1      0.3360000              1.0000000        
F   1
  1      0.1250000              1.0000000        


name: aug-cc-pVTZ-DK
description: VTZ2P All-electron Douglas-Kroll Valence Triple Zeta + Polarization
elt: P
data:
PHOSPHOROUS
S   13
  1 312400.0000000              0.0002571        
  2  46800.0000000              0.0009020        
  3  10650.0000000              0.0031853        
  4   3018.0000000              0.0110055        
  5    986.8000000              0.0358359        
  6    357.4000000              0.1021861        
  7    139.6000000              0.2357207        
  8     57.6300000              0.3815204        
  9     24.6000000              0.3156027        
 10     10.1200000              0.0699621        
 11      4.2830000             -0.0017854        
 12      1.8050000              0.0021312        
 13      0.2782000              0.0004255        
S   13
  1 312400.0000000             -0.0000702        
  2  46800.0000000             -0.0002465        
  3  10650.0000000             -0.0008732        
  4   3018.0000000             -0.0030327        
  5    986.8000000             -0.0100473        
  6    357.4000000             -0.0297436        
  7    139.6000000             -0.0754666        
  8     57.6300000             -0.1504688        
  9     24.6000000             -0.1878391        
 10     10.1200000              0.0403987        
 11      4.2830000              0.5308169        
 12      1.8050000              0.5151652        
 13      0.2782000             -0.0089109        
S   13
  1 312400.0000000             -0.0000193        
  2  46800.0000000             -0.0000677        
  3  10650.0000000             -0.0002401        
  4   3018.0000000             -0.0008334        
  5    986.8000000             -0.0027699        
  6    357.4000000             -0.0082076        
  7    139.6000000             -0.0210652        
  8     57.6300000             -0.0426310        
  9     24.6000000             -0.0558250        
 10     10.1200000              0.0140284        
 11      4.2830000              0.1981170        
 12      1.8050000              0.3517465        
 13      0.2782000             -0.7008474        
S   1
  1      0.6158000              1.0000000        
S   1
  1      0.1055000              1.0000000        
S   1
  1      0.0409000              1.0000000        
P   7
  1    504.9000000              0.0025366        
  2    119.4000000              0.0189426        
  3     37.9600000              0.0856706        
  4     13.9500000              0.2451121        
  5      5.4570000              0.4225698        
  6      2.1770000              0.3677769        
  7      0.2877000             -0.0037587        
P   7
  1    504.9000000             -0.0006028        
  2    119.4000000             -0.0045552        
  3     37.9600000             -0.0208047        
  4     13.9500000             -0.0618635        
  5      5.4570000             -0.1088145        
  6      2.1770000             -0.1052149        
  7      0.2877000              0.5764654        
P   1
  1      0.8010000              1.0000000        
P   1
  1      0.0971400              1.0000000        
P   1
  1      0.0307000              1.0000000        
D   1
  1      0.2160000              1.0000000        
D   1
  1      0.6520000              1.0000000        
D   1
  1      0.0775000              1.0000000        
F   1
  1      0.4520000              1.0000000        
F   1
  1      0.1650000              1.0000000        


name: aug-cc-pVTZ-DK
description: VTZ2P All-electron Douglas-Kroll Valence Triple Zeta + Polarization
elt: S
data:
SULFUR
S   13
  1 374100.0000000              0.0002638        
  2  56050.0000000              0.0009062        
  3  12760.0000000              0.0031247        
  4   3615.0000000              0.0105603        
  5   1183.0000000              0.0340035        
  6    428.8000000              0.0969219        
  7    167.8000000              0.2252582        
  8     69.4700000              0.3735512        
  9     29.8400000              0.3262878        
 10     12.7200000              0.0836129        
 11      5.2440000              0.0004429        
 12      2.2190000              0.0016215        
 13      0.3490000              0.0002957        
S   13
  1 374100.0000000             -0.0000733        
  2  56050.0000000             -0.0002521        
  3  12760.0000000             -0.0008725        
  4   3615.0000000             -0.0029604        
  5   1183.0000000             -0.0097096        
  6    428.8000000             -0.0286229        
  7    167.8000000             -0.0731204        
  8     69.4700000             -0.1470961        
  9     29.8400000             -0.1935729        
 10     12.7200000              0.0128266        
 11      5.2440000              0.5194749        
 12      2.2190000              0.5375512        
 13      0.3490000             -0.0088273        
S   13
  1 374100.0000000              0.0000213        
  2  56050.0000000              0.0000732        
  3  12760.0000000              0.0002535        
  4   3615.0000000              0.0008599        
  5   1183.0000000              0.0028283        
  6    428.8000000              0.0083497        
  7    167.8000000              0.0215638        
  8     69.4700000              0.0440714        
  9     29.8400000              0.0607406        
 10     12.7200000             -0.0051710        
 11      5.2440000             -0.2066834        
 12      2.2190000             -0.3796525        
 13      0.3490000              0.7139336        
S   1
  1      0.7767000              1.0000000        
S   1
  1      0.1322000              1.0000000        
S   1
  1      0.0497000              1.0000000        
P   7
  1    574.4000000              0.0026583        
  2    135.8000000              0.0197601        
  3     43.1900000              0.0893840        
  4     15.8700000              0.2552538        
  5      6.2080000              0.4337250        
  6      2.4830000              0.3541224        
  7      0.3229000             -0.0050047        
P   7
  1    574.4000000             -0.0006804        
  2    135.8000000             -0.0050630        
  3     43.1900000             -0.0234889        
  4     15.8700000             -0.0686526        
  5      6.2080000             -0.1237698        
  6      2.4830000             -0.0963932        
  7      0.3229000              0.5688332        
P   1
  1      0.8688000              1.0000000        
P   1
  1      0.1098000              1.0000000        
P   1
  1      0.0351000              1.0000000        
D   1
  1      0.2690000              1.0000000        
D   1
  1      0.8190000              1.0000000        
D   1
  1      0.1010000              1.0000000        
F   1
  1      0.5570000              1.0000000        
F   1
  1      0.2180000              1.0000000        


name: aug-cc-pVTZ-DK
description: VTZ2P All-electron Douglas-Kroll Valence Triple Zeta + Polarization
elt: Cl
data:
CHLORINE
S   13
  1 456100.0000000              0.0002645        
  2  68330.0000000              0.0008905        
  3  15550.0000000              0.0029934        
  4   4405.0000000              0.0098871        
  5   1439.0000000              0.0315606        
  6    520.4000000              0.0903711        
  7    203.1000000              0.2134406        
  8     83.9600000              0.3646772        
  9     36.2000000              0.3377387        
 10     15.8300000              0.1006810        
 11      6.3340000              0.0030732        
 12      2.6940000              0.0010373        
 13      0.4313000              0.0001520        
S   13
  1 456100.0000000             -0.0000747        
  2  68330.0000000             -0.0002515        
  3  15550.0000000             -0.0008492        
  4   4405.0000000             -0.0028128        
  5   1439.0000000             -0.0091519        
  6    520.4000000             -0.0269903        
  7    203.1000000             -0.0699330        
  8     83.9600000             -0.1426906        
  9     36.2000000             -0.1978853        
 10     15.8300000             -0.0143283        
 11      6.3340000              0.5036507        
 12      2.6940000              0.5584234        
 13      0.4313000             -0.0080500        
S   13
  1 456100.0000000              0.0000226        
  2  68330.0000000              0.0000761        
  3  15550.0000000              0.0002572        
  4   4405.0000000              0.0008515        
  5   1439.0000000              0.0027786        
  6    520.4000000              0.0082052        
  7    203.1000000              0.0214933        
  8     83.9600000              0.0445276        
  9     36.2000000              0.0646680        
 10     15.8300000              0.0041911        
 11      6.3340000             -0.2092752        
 12      2.6940000             -0.4033247        
 13      0.4313000              0.7256082        
S   1
  1      0.9768000              1.0000000        
S   1
  1      0.1625000              1.0000000        
S   1
  1      0.0591000              1.0000000        
P   7
  1    663.3000000              0.0026741        
  2    156.8000000              0.0197715        
  3     49.9800000              0.0894991        
  4     18.4200000              0.2567502        
  5      7.2400000              0.4366374        
  6      2.9220000              0.3493206        
  7      0.3818000             -0.0045545        
P   7
  1    663.3000000             -0.0007253        
  2    156.8000000             -0.0053474        
  3     49.9800000             -0.0249761        
  4     18.4200000             -0.0730005        
  5      7.2400000             -0.1338923        
  6      2.9220000             -0.0940334        
  7      0.3818000              0.5640464        
P   1
  1      1.0220000              1.0000000        
P   1
  1      0.1301000              1.0000000        
P   1
  1      0.0419000              1.0000000        
D   1
  1      1.0460000              1.0000000        
D   1
  1      0.3440000              1.0000000        
D   1
  1      0.1350000              1.0000000        
F   1
  1      0.7060000              1.0000000        
F   1
  1      0.3120000              1.0000000        


name: aug-cc-pVTZ-DK
description: VTZ2P All-electron Douglas-Kroll Valence Triple Zeta + Polarization
elt: Ar
data:
ARGON
S   13
  1 545000.0000000              0.0002676        
  2  81640.0000000              0.0008851        
  3  18580.0000000              0.0029115        
  4   5261.0000000              0.0094107        
  5   1717.0000000              0.0297252        
  6    619.9000000              0.0852189        
  7    241.6000000              0.2035465        
  8     99.7900000              0.3562637        
  9     43.1500000              0.3461000        
 10     19.1400000              0.1164162        
 11      7.4880000              0.0055038        
 12      3.2050000              0.0004726        
 13      0.5204000              0.0000270        
S   13
  1 545000.0000000             -0.0000766        
  2  81640.0000000             -0.0002534        
  3  18580.0000000             -0.0008375        
  4   5261.0000000             -0.0027127        
  5   1717.0000000             -0.0087370        
  6    619.9000000             -0.0257215        
  7    241.6000000             -0.0672613        
  8     99.7900000             -0.1389310        
  9     43.1500000             -0.2003327        
 10     19.1400000             -0.0353876        
 11      7.4880000              0.4896428        
 12      3.2050000              0.5732040        
 13      0.5204000             -0.0070177        
S   13
  1 545000.0000000              0.0000239        
  2  81640.0000000              0.0000792        
  3  18580.0000000              0.0002620        
  4   5261.0000000              0.0008483        
  5   1717.0000000              0.0027402        
  6    619.9000000              0.0080774        
  7    241.6000000              0.0213514        
  8     99.7900000              0.0447653        
  9     43.1500000              0.0675613        
 10     19.1400000              0.0119876        
 11      7.4880000             -0.2109174        
 12      3.2050000             -0.4221521        
 13      0.5204000              0.7337362        
S   1
  1      1.1960000              1.0000000        
S   1
  1      0.1954000              1.0000000        
S   1
  1      0.0685000              1.0000000        
P   7
  1    761.8000000              0.0026746        
  2    180.2000000              0.0196563        
  3     57.5000000              0.0892268        
  4     21.2400000              0.2572532        
  5      8.3880000              0.4383940        
  6      3.4160000              0.3463553        
  7      0.4523000             -0.0052053        
P   7
  1    761.8000000             -0.0007530        
  2    180.2000000             -0.0055091        
  3     57.5000000             -0.0258919        
  4     21.2400000             -0.0759587        
  5      8.3880000             -0.1409826        
  6      3.4160000             -0.0923338        
  7      0.4523000              0.5617501        
P   1
  1      1.2060000              1.0000000        
P   1
  1      0.1545000              1.0000000        
P   1
  1      0.0487000              1.0000000        
D   1
  1      0.4100000              1.0000000        
D   1
  1      1.2540000              1.0000000        
D   1
  1      0.1690000              1.0000000        
F   1
  1      0.8900000              1.0000000        
F   1
  1      0.4060000              1.0000000        


name: aug-cc-pVTZ-DK
description: VTZ2P All-electron Douglas-Kroll Valence Triple Zeta + Polarization
elt: Sc
data:
SCANDIUM
S   19
  1 2715278.0000000             0.0001060        
  2 406598.4000000              0.0003170        
  3  92530.0400000              0.0009050        
  4  26207.9200000              0.0024640        
  5   8549.4290000              0.0067800        
  6   3085.9750000              0.0186790        
  7   1203.1720000              0.0494180        
  8    498.4869000              0.1172100        
  9    216.7360000              0.2280410        
 10     97.8747600              0.3098720        
 11     45.2043300              0.2175500        
 12     20.2118700              0.0724860        
 13      9.5747510              0.1159500        
 14      4.5403460              0.1166380        
 15      1.9956870              0.0198230        
 16      0.9422150             -0.0004880        
 17      0.4178450              0.0001830        
 18      0.0957610             -0.0000700        
 19      0.0513510              0.0000630        
S   19
  1 2715278.0000000            -0.0000610        
  2 406598.4000000             -0.0001820        
  3  92530.0400000             -0.0005200        
  4  26207.9200000             -0.0014170        
  5   8549.4290000             -0.0039120        
  6   3085.9750000             -0.0108530        
  7   1203.1720000             -0.0291550        
  8    498.4869000             -0.0716000        
  9    216.7360000             -0.1504450        
 10     97.8747600             -0.2435420        
 11     45.2043300             -0.2334530        
 12     20.2118700              0.0449970        
 13      9.5747510              0.4960340        
 14      4.5403460              0.4848560        
 15      1.9956870              0.0875670        
 16      0.9422150             -0.0052830        
 17      0.4178450              0.0006420        
 18      0.0957610             -0.0006970        
 19      0.0513510              0.0005790        
S   19
  1 2715278.0000000             0.0000120        
  2 406598.4000000              0.0000360        
  3  92530.0400000              0.0001020        
  4  26207.9200000              0.0002800        
  5   8549.4290000              0.0007740        
  6   3085.9750000              0.0021630        
  7   1203.1720000              0.0058830        
  8    498.4869000              0.0148870        
  9    216.7360000              0.0331320        
 10     97.8747600              0.0602850        
 11     45.2043300              0.0674590        
 12     20.2118700             -0.0250150        
 13      9.5747510             -0.2708040        
 14      4.5403460             -0.4320030        
 15      1.9956870              0.0764930        
 16      0.9422150              0.7030970        
 17      0.4178450              0.4425890        
 18      0.0957610              0.0281380        
 19      0.0513510             -0.0122190        
S   19
  1 2715278.0000000            -0.0000030        
  2 406598.4000000             -0.0000090        
  3  92530.0400000             -0.0000250        
  4  26207.9200000             -0.0000680        
  5   8549.4290000             -0.0001870        
  6   3085.9750000             -0.0005230        
  7   1203.1720000             -0.0014240        
  8    498.4869000             -0.0035970        
  9    216.7360000             -0.0080330        
 10     97.8747600             -0.0145980        
 11     45.2043300             -0.0165140        
 12     20.2118700              0.0062890        
 13      9.5747510              0.0682630        
 14      4.5403460              0.1165590        
 15      1.9956870             -0.0299490        
 16      0.9422150             -0.2308390        
 17      0.4178450             -0.3023230        
 18      0.0957610              0.2699030        
 19      0.0513510              0.5919260        
S   19
  1 2715278.0000000            -0.0000050        
  2 406598.4000000             -0.0000150        
  3  92530.0400000             -0.0000430        
  4  26207.9200000             -0.0001190        
  5   8549.4290000             -0.0003170        
  6   3085.9750000             -0.0009330        
  7   1203.1720000             -0.0023690        
  8    498.4869000             -0.0065510        
  9    216.7360000             -0.0129980        
 10     97.8747600             -0.0278890        
 11     45.2043300             -0.0226520        
 12     20.2118700             -0.0046730        
 13      9.5747510              0.1586420        
 14      4.5403460              0.1412640        
 15      1.9956870              0.0934350        
 16      0.9422150             -0.8973280        
 17      0.4178450              0.0597060        
 18      0.0957610              2.3097260        
 19      0.0513510             -1.2862210        
S   19
  1 2715278.0000000            -0.0000080        
  2 406598.4000000             -0.0000240        
  3  92530.0400000             -0.0000670        
  4  26207.9200000             -0.0001900        
  5   8549.4290000             -0.0004920        
  6   3085.9750000             -0.0015120        
  7   1203.1720000             -0.0036160        
  8    498.4869000             -0.0107900        
  9    216.7360000             -0.0193510        
 10     97.8747600             -0.0476760        
 11     45.2043300             -0.0281580        
 12     20.2118700             -0.0279470        
 13      9.5747510              0.3104550        
 14      4.5403460              0.1769890        
 15      1.9956870              0.2158550        
 16      0.9422150             -2.3880850        
 17      0.4178450              2.3878380        
 18      0.0957610              0.8272680        
 19      0.0513510             -3.3417860        
S   1
  1      0.0238780              1.0000000        
S   1
  1      0.0111000              1.0000000        
P   15
  1  10592.1900000              0.0001010        
  2   2507.5330000              0.0005310        
  3    814.4571000              0.0026120        
  4    311.5195000              0.0106240        
  5    131.9617000              0.0359750        
  6     59.9871800              0.0992420        
  7     28.6625000              0.2117340        
  8     14.1085100              0.3300720        
  9      7.1037060              0.3297560        
 10      3.6092000              0.1568380        
 11      1.7760700              0.0218050        
 12      0.8547600             -0.0017970        
 13      0.4022390             -0.0014350        
 14      0.1546800             -0.0003000        
 15      0.0648880              0.0000370        
P   15
  1  10592.1900000             -0.0000330        
  2   2507.5330000             -0.0001740        
  3    814.4571000             -0.0008600        
  4    311.5195000             -0.0035150        
  5    131.9617000             -0.0120540        
  6     59.9871800             -0.0340690        
  7     28.6625000             -0.0752130        
  8     14.1085100             -0.1224250        
  9      7.1037060             -0.1293380        
 10      3.6092000              0.0162740        
 11      1.7760700              0.3101820        
 12      0.8547600              0.4626890        
 13      0.4022390              0.3035190        
 14      0.1546800              0.0505150        
 15      0.0648880             -0.0043930        
P   15
  1  10592.1900000             -0.0000080        
  2   2507.5330000             -0.0000420        
  3    814.4571000             -0.0002100        
  4    311.5195000             -0.0008550        
  5    131.9617000             -0.0029520        
  6     59.9871800             -0.0083120        
  7     28.6625000             -0.0185310        
  8     14.1085100             -0.0300330        
  9      7.1037060             -0.0326410        
 10      3.6092000              0.0083480        
 11      1.7760700              0.0879920        
 12      0.8547600              0.1519130        
 13      0.4022390              0.0964060        
 14      0.1546800             -0.2563870        
 15      0.0648880             -0.5874490        
P   15
  1  10592.1900000              0.0000100        
  2   2507.5330000              0.0000520        
  3    814.4571000              0.0002530        
  4    311.5195000              0.0010510        
  5    131.9617000              0.0035550        
  6     59.9871800              0.0102180        
  7     28.6625000              0.0222040        
  8     14.1085100              0.0372860        
  9      7.1037060              0.0378240        
 10      3.6092000             -0.0049720        
 11      1.7760700             -0.1112850        
 12      0.8547600             -0.1627100        
 13      0.4022390             -0.1826910        
 14      0.1546800              0.3998710        
 15      0.0648880              0.6854100        
P   15
  1  10592.1900000              0.0000200        
  2   2507.5330000              0.0000990        
  3    814.4571000              0.0005400        
  4    311.5195000              0.0019760        
  5    131.9617000              0.0076190        
  6     59.9871800              0.0189350        
  7     28.6625000              0.0488650        
  8     14.1085100              0.0648610        
  9      7.1037060              0.1074880        
 10      3.6092000             -0.0607580        
 11      1.7760700             -0.1669220        
 12      0.8547600             -0.7590390        
 13      0.4022390              0.6295020        
 14      0.1546800              1.1637940        
 15      0.0648880             -1.0239170        
P   1
  1      0.0263010              1.0000000        
P   1
  1      0.0106600              1.0000000        
D   7
  1     50.6542000              0.0042520        
  2     14.7325000              0.0274650        
  3      5.1804600              0.0992270        
  4      2.0195900              0.2299670        
  5      0.7992190              0.3442870        
  6      0.3053160              0.3736260        
  7      0.1104440              0.2680210        
D   7
  1     50.6542000             -0.0043960        
  2     14.7325000             -0.0282630        
  3      5.1804600             -0.1047920        
  4      2.0195900             -0.2343530        
  5      0.7992190             -0.3255090        
  6      0.3053160             -0.0699950        
  7      0.1104440              0.5949220        
D   7
  1     50.6542000              0.0057630        
  2     14.7325000              0.0364360        
  3      5.1804600              0.1387320        
  4      2.0195900              0.3008260        
  5      0.7992190              0.3149790        
  6      0.3053160             -0.7436330        
  7      0.1104440             -0.2346380        
D   1
  1      0.0370650              1.0000000        
D   1
  1      0.0124400              1.0000000        
F   1
  1      0.7126000              1.0000000        
F   1
  1      0.1636000              1.0000000        
F   1
  1      0.0406300              1.0000000        
G   1
  1      0.4112000              1.0000000        
G   1
  1      0.0947300              1.0000000        


name: aug-cc-pVTZ-DK
description: VTZ2P All-electron Douglas-Kroll Valence Triple Zeta + Polarization
elt: Ti
data:
TITANIUM
S   19
  1 3014643.0000000             0.0001120        
  2 451432.9000000              0.0003320        
  3 102733.8000000              0.0009400        
  4  29098.1700000              0.0025320        
  5   9492.3300000              0.0068790        
  6   3426.3460000              0.0187490        
  7   1335.8960000              0.0492940        
  8    553.5026000              0.1166940        
  9    240.6925000              0.2273250        
 10    108.7293000              0.3105540        
 11     50.2645700              0.2205840        
 12     22.5800400              0.0732470        
 13     10.7143200              0.1131540        
 14      5.0935460              0.1136590        
 15      2.2441830              0.0193160        
 16      1.0595700             -0.0004650        
 17      0.4688490              0.0001590        
 18      0.1061430             -0.0000590        
 19      0.0552620              0.0000620        
S   19
  1 3014643.0000000            -0.0000630        
  2 451432.9000000             -0.0001890        
  3 102733.8000000             -0.0005350        
  4  29098.1700000             -0.0014430        
  5   9492.3300000             -0.0039330        
  6   3426.3460000             -0.0107960        
  7   1335.8960000             -0.0288290        
  8    553.5026000             -0.0706740        
  9    240.6925000             -0.1487780        
 10    108.7293000             -0.2420600        
 11     50.2645700             -0.2347210        
 12     22.5800400              0.0422060        
 13     10.7143200              0.4983350        
 14      5.0935460              0.4868870        
 15      2.2441830              0.0879040        
 16      1.0595700             -0.0052640        
 17      0.4688490              0.0005520        
 18      0.1061430             -0.0006280        
 19      0.0552620              0.0005530        
S   19
  1 3014643.0000000             0.0000130        
  2 451432.9000000              0.0000380        
  3 102733.8000000              0.0001090        
  4  29098.1700000              0.0002940        
  5   9492.3300000              0.0008030        
  6   3426.3460000              0.0022200        
  7   1335.8960000              0.0059990        
  8    553.5026000              0.0151490        
  9    240.6925000              0.0337330        
 10    108.7293000              0.0615630        
 11     50.2645700              0.0694620        
 12     22.5800400             -0.0241550        
 13     10.7143200             -0.2789840        
 14      5.0935460             -0.4386710        
 15      2.2441830              0.0909060        
 16      1.0595700              0.7091310        
 17      0.4688490              0.4311640        
 18      0.1061430              0.0258980        
 19      0.0552620             -0.0110070        
S   19
  1 3014643.0000000            -0.0000030        
  2 451432.9000000             -0.0000090        
  3 102733.8000000             -0.0000260        
  4  29098.1700000             -0.0000700        
  5   9492.3300000             -0.0001910        
  6   3426.3460000             -0.0005260        
  7   1335.8960000             -0.0014240        
  8    553.5026000             -0.0035930        
  9    240.6925000             -0.0080220        
 10    108.7293000             -0.0146460        
 11     50.2645700             -0.0166610        
 12     22.5800400              0.0058890        
 13     10.7143200              0.0693470        
 14      5.0935460              0.1159210        
 15      2.2441830             -0.0327170        
 16      1.0595700             -0.2334140        
 17      0.4688490             -0.2869410        
 18      0.1061430              0.2839540        
 19      0.0552620              0.5841130        
S   19
  1 3014643.0000000            -0.0000060        
  2 451432.9000000             -0.0000170        
  3 102733.8000000             -0.0000480        
  4  29098.1700000             -0.0001310        
  5   9492.3300000             -0.0003460        
  6   3426.3460000             -0.0010090        
  7   1335.8960000             -0.0025320        
  8    553.5026000             -0.0070420        
  9    240.6925000             -0.0138290        
 10    108.7293000             -0.0302210        
 11     50.2645700             -0.0239810        
 12     22.5800400             -0.0071850        
 13     10.7143200              0.1758840        
 14      5.0935460              0.1462460        
 15      2.2441830              0.0971840        
 16      1.0595700             -1.0017360        
 17      0.4688490              0.1999570        
 18      0.1061430              2.2181040        
 19      0.0552620             -1.3423230        
S   19
  1 3014643.0000000            -0.0000090        
  2 451432.9000000             -0.0000270        
  3 102733.8000000             -0.0000750        
  4  29098.1700000             -0.0002080        
  5   9492.3300000             -0.0005370        
  6   3426.3460000             -0.0016170        
  7   1335.8960000             -0.0038870        
  8    553.5026000             -0.0114190        
  9    240.6925000             -0.0208780        
 10    108.7293000             -0.0503970        
 11     50.2645700             -0.0320930        
 12     22.5800400             -0.0269460        
 13     10.7143200              0.3275740        
 14      5.0935460              0.2147230        
 15      2.2441830              0.1170160        
 16      1.0595700             -2.4080240        
 17      0.4688490              2.5936190        
 18      0.1061430              0.1447480        
 19      0.0552620             -2.5253120        
S   1
  1      0.0254650              1.0000000        
S   1
  1      0.0117300              1.0000000        
P   15
  1  11912.0300000              0.0001040        
  2   2819.9470000              0.0005330        
  3    915.9479000              0.0025880        
  4    350.3842000              0.0104700        
  5    148.4825000              0.0354710        
  6     67.5394400              0.0981640        
  7     32.3033200              0.2106310        
  8     15.9278600              0.3301970        
  9      8.0380350              0.3305000        
 10      4.0939160              0.1571860        
 11      2.0223900              0.0219670        
 12      0.9761020             -0.0017610        
 13      0.4595950             -0.0014300        
 14      0.1771950             -0.0002900        
 15      0.0734420              0.0000340        
P   15
  1  11912.0300000             -0.0000350        
  2   2819.9470000             -0.0001790        
  3    915.9479000             -0.0008700        
  4    350.3842000             -0.0035410        
  5    148.4825000             -0.0121500        
  6     67.5394400             -0.0344710        
  7     32.3033200             -0.0765940        
  8     15.9278600             -0.1256220        
  9      8.0380350             -0.1320480        
 10      4.0939160              0.0193960        
 11      2.0223900              0.3164550        
 12      0.9761020              0.4614890        
 13      0.4595950              0.2980100        
 14      0.1771950              0.0495170        
 15      0.0734420             -0.0041080        
P   15
  1  11912.0300000              0.0000080        
  2   2819.9470000              0.0000430        
  3    915.9479000              0.0002090        
  4    350.3842000              0.0008480        
  5    148.4825000              0.0029250        
  6     67.5394400              0.0082760        
  7     32.3033200              0.0185500        
  8     15.9278600              0.0303400        
  9      8.0380350              0.0327150        
 10      4.0939160             -0.0087200        
 11      2.0223900             -0.0886360        
 12      0.9761020             -0.1491650        
 13      0.4595950             -0.0932320        
 14      0.1771950              0.2507080        
 15      0.0734420              0.5861800        
P   15
  1  11912.0300000              0.0000100        
  2   2819.9470000              0.0000540        
  3    915.9479000              0.0002610        
  4    350.3842000              0.0010710        
  5    148.4825000              0.0036390        
  6     67.5394400              0.0104610        
  7     32.3033200              0.0229850        
  8     15.9278600              0.0386720        
  9      8.0380350              0.0394990        
 10      4.0939160             -0.0068990        
 11      2.0223900             -0.1146250        
 12      0.9761020             -0.1708870        
 13      0.4595950             -0.1652610        
 14      0.1771950              0.4058580        
 15      0.0734420              0.6742340        
P   15
  1  11912.0300000              0.0000210        
  2   2819.9470000              0.0001010        
  3    915.9479000              0.0005360        
  4    350.3842000              0.0019840        
  5    148.4825000              0.0075290        
  6     67.5394400              0.0191510        
  7     32.3033200              0.0486770        
  8     15.9278600              0.0671790        
  9      8.0380350              0.1039430        
 10      4.0939160             -0.0555620        
 11      2.0223900             -0.1916650        
 12      0.9761020             -0.6969070        
 13      0.4595950              0.5747490        
 14      0.1771950              1.1704990        
 15      0.0734420             -1.0063770        
P   1
  1      0.0293340              1.0000000        
P   1
  1      0.0117200              1.0000000        
D   7
  1     64.3402000              0.0038830        
  2     18.8418000              0.0262040        
  3      6.7198300              0.0968870        
  4      2.6561300              0.2316310        
  5      1.0736800              0.3519720        
  6      0.4205570              0.3725630        
  7      0.1548170              0.2505630        
D   7
  1     64.3402000             -0.0039790        
  2     18.8418000             -0.0267640        
  3      6.7198300             -0.1018940        
  4      2.6561300             -0.2371110        
  5      1.0736800             -0.3132860        
  6      0.4205570             -0.0465630        
  7      0.1548170              0.5840720        
D   7
  1     64.3402000              0.0063860        
  2     18.8418000              0.0433010        
  3      6.7198300              0.1702500        
  4      2.6561300              0.3719460        
  5      1.0736800              0.2303500        
  6      0.4205570             -0.7820270        
  7      0.1548170             -0.1235850        
D   1
  1      0.0514900              1.0000000        
D   1
  1      0.0171200              1.0000000        
F   1
  1      1.2274000              1.0000000        
F   1
  1      0.2788000              1.0000000        
F   1
  1      0.0806900              1.0000000        
G   1
  1      0.7092000              1.0000000        
G   1
  1      0.2041300              1.0000000        


name: aug-cc-pVTZ-DK
description: VTZ2P All-electron Douglas-Kroll Valence Triple Zeta + Polarization
elt: V
data:
VANADIUM
S   19
  1 3321857.0000000             0.0001180        
  2 497435.6000000              0.0003490        
  3 113202.7000000              0.0009820        
  4  32063.3300000              0.0026180        
  5  10459.6200000              0.0070320        
  6   3775.5060000              0.0189660        
  7   1472.0400000              0.0495440        
  8    609.9331000              0.1170070        
  9    265.2634000              0.2280590        
 10    119.8607000              0.3128050        
 11     55.4489100              0.2243300        
 12     24.9837200              0.0735890        
 13     11.8805600              0.1075150        
 14      5.6603110              0.1073700        
 15      2.4957030              0.0180480        
 16      1.1778660             -0.0004330        
 17      0.5200440              0.0001240        
 18      0.1159650             -0.0000460        
 19      0.0589380              0.0000590        
S   19
  1 3321857.0000000            -0.0000660        
  2 497435.6000000             -0.0001940        
  3 113202.7000000             -0.0005450        
  4  32063.3300000             -0.0014570        
  5  10459.6200000             -0.0039270        
  6   3775.5060000             -0.0106680        
  7   1472.0400000             -0.0283160        
  8    609.9331000             -0.0692880        
  9    265.2634000             -0.1461110        
 10    119.8607000             -0.2389450        
 11     55.4489100             -0.2339170        
 12     24.9837200              0.0421070        
 13     11.8805600              0.5024910        
 14      5.6603110              0.4878150        
 15      2.4957030              0.0873120        
 16      1.1778660             -0.0053530        
 17      0.5200440              0.0004350        
 18      0.1159650             -0.0005700        
 19      0.0589380              0.0005410        
S   19
  1 3321857.0000000             0.0000140        
  2 497435.6000000              0.0000410        
  3 113202.7000000              0.0001150        
  4  32063.3300000              0.0003080        
  5  10459.6200000              0.0008330        
  6   3775.5060000              0.0022780        
  7   1472.0400000              0.0061170        
  8    609.9331000              0.0154080        
  9    265.2634000              0.0343010        
 10    119.8607000              0.0627220        
 11     55.4489100              0.0710470        
 12     24.9837200             -0.0241190        
 13     11.8805600             -0.2872100        
 14      5.6603110             -0.4426090        
 15      2.4957030              0.1068750        
 16      1.1778660              0.7133290        
 17      0.5200440              0.4194430        
 18      0.1159650              0.0238310        
 19      0.0589380             -0.0098830        
S   19
  1 3321857.0000000            -0.0000030        
  2 497435.6000000             -0.0000100        
  3 113202.7000000             -0.0000270        
  4  32063.3300000             -0.0000720        
  5  10459.6200000             -0.0001940        
  6   3775.5060000             -0.0005300        
  7   1472.0400000             -0.0014250        
  8    609.9331000             -0.0035890        
  9    265.2634000             -0.0080030        
 10    119.8607000             -0.0146610        
 11     55.4489100             -0.0167040        
 12     24.9837200              0.0057060        
 13     11.8805600              0.0703560        
 14      5.6603110              0.1145620        
 15      2.4957030             -0.0359500        
 16      1.1778660             -0.2344200        
 17      0.5200440             -0.2726820        
 18      0.1159650              0.2965280        
 19      0.0589380              0.5772100        
S   19
  1 3321857.0000000            -0.0000060        
  2 497435.6000000             -0.0000180        
  3 113202.7000000             -0.0000510        
  4  32063.3300000             -0.0001410        
  5  10459.6200000             -0.0003660        
  6   3775.5060000             -0.0010610        
  7   1472.0400000             -0.0026350        
  8    609.9331000             -0.0073430        
  9    265.2634000             -0.0143270        
 10    119.8607000             -0.0316410        
 11     55.4489100             -0.0247500        
 12     24.9837200             -0.0086380        
 13     11.8805600              0.1872210        
 14      5.6603110              0.1479670        
 15      2.4957030              0.0933070        
 16      1.1778660             -1.0567540        
 17      0.5200440              0.2916520        
 18      0.1159650              2.1339990        
 19      0.0589380             -1.3543780        
S   19
  1 3321857.0000000            -0.0000100        
  2 497435.6000000             -0.0000290        
  3 113202.7000000             -0.0000810        
  4  32063.3300000             -0.0002240        
  5  10459.6200000             -0.0005750        
  6   3775.5060000             -0.0017020        
  7   1472.0400000             -0.0040970        
  8    609.9331000             -0.0118930        
  9    265.2634000             -0.0220220        
 10    119.8607000             -0.0524010        
 11     55.4489100             -0.0349980        
 12     24.9837200             -0.0258510        
 13     11.8805600              0.3416980        
 14      5.6603110              0.2399620        
 15      2.4957030              0.0310030        
 16      1.1778660             -2.3835830        
 17      0.5200440              2.6992870        
 18      0.1159650             -0.2788310        
 19      0.0589380             -1.9836530        
S   1
  1      0.0269460              1.0000000        
S   1
  1      0.0123200              1.0000000        
P   15
  1  13273.2000000              0.0001080        
  2   3142.1260000              0.0005390        
  3   1020.5880000              0.0025820        
  4    390.4407000              0.0103900        
  5    165.5043000              0.0351890        
  6     75.3200600              0.0975890        
  7     36.0550300              0.2102360        
  8     17.8043600              0.3306940        
  9      9.0029290              0.3306980        
 10      4.5945440              0.1567000        
 11      2.2767600              0.0218570        
 12      1.1011780             -0.0017680        
 13      0.5186380             -0.0014570        
 14      0.2005740             -0.0002830        
 15      0.0812170              0.0000310        
P   15
  1  13273.2000000             -0.0000370        
  2   3142.1260000             -0.0001840        
  3   1020.5880000             -0.0008830        
  4    390.4407000             -0.0035760        
  5    165.5043000             -0.0122640        
  6     75.3200600             -0.0348910        
  7     36.0550300             -0.0778890        
  8     17.8043600             -0.1284150        
  9      9.0029290             -0.1338960        
 10      4.5945440              0.0231590        
 11      2.2767600              0.3220750        
 12      1.1011780              0.4598860        
 13      0.5186380              0.2931220        
 14      0.2005740              0.0484450        
 15      0.0812170             -0.0037030        
P   15
  1  13273.2000000              0.0000090        
  2   3142.1260000              0.0000440        
  3   1020.5880000              0.0002140        
  4    390.4407000              0.0008620        
  5    165.5043000              0.0029720        
  6     75.3200600              0.0084410        
  7     36.0550300              0.0189950        
  8     17.8043600              0.0312890        
  9      9.0029290              0.0333380        
 10      4.5945440             -0.0100750        
 11      2.2767600             -0.0925620        
 12      1.1011780             -0.1488610        
 13      0.5186380             -0.0823020        
 14      0.2005740              0.2504590        
 15      0.0812170              0.5799250        
P   15
  1  13273.2000000              0.0000110        
  2   3142.1260000              0.0000560        
  3   1020.5880000              0.0002660        
  4    390.4407000              0.0010870        
  5    165.5043000              0.0036880        
  6     75.3200600              0.0106400        
  7     36.0550300              0.0234680        
  8     17.8043600              0.0397630        
  9      9.0029290              0.0401880        
 10      4.5945440             -0.0080990        
 11      2.2767600             -0.1183280        
 12      1.1011780             -0.1730030        
 13      0.5186380             -0.1539630        
 14      0.2005740              0.4118200        
 15      0.0812170              0.6696520        
P   15
  1  13273.2000000              0.0000230        
  2   3142.1260000              0.0001070        
  3   1020.5880000              0.0005570        
  4    390.4407000              0.0020550        
  5    165.5043000              0.0077880        
  6     75.3200600              0.0198910        
  7     36.0550300              0.0507500        
  8     17.8043600              0.0705330        
  9      9.0029290              0.1081080        
 10      4.5945440             -0.0606770        
 11      2.2767600             -0.2162910        
 12      1.1011780             -0.6786280        
 13      0.5186380              0.6035630        
 14      0.2005740              1.1148540        
 15      0.0812170             -0.9880720        
P   1
  1      0.0317330              1.0000000        
P   1
  1      0.0124000              1.0000000        
D   7
  1     78.2841000              0.0035870        
  2     23.0120000              0.0249740        
  3      8.2901600              0.0940290        
  4      3.3079100              0.2290420        
  5      1.3555500              0.3518030        
  6      0.5392580              0.3708890        
  7      0.2012550              0.2485580        
D   7
  1     78.2841000             -0.0038180        
  2     23.0120000             -0.0265310        
  3      8.2901600             -0.1030470        
  4      3.3079100             -0.2466900        
  5      1.3555500             -0.3129250        
  6      0.5392580             -0.0275810        
  7      0.2012550              0.5660110        
D   7
  1     78.2841000              0.0059800        
  2     23.0120000              0.0417790        
  3      8.2901600              0.1689470        
  4      3.3079100              0.3831330        
  5      1.3555500              0.2118890        
  6      0.5392580             -0.7715530        
  7      0.2012550             -0.1298600        
D   1
  1      0.0671460              1.0000000        
D   1
  1      0.0224000              1.0000000        
F   1
  1      1.7488000              1.0000000        
F   1
  1      0.4057000              1.0000000        
F   1
  1      0.1281300              1.0000000        
G   1
  1      1.1127000              1.0000000        
G   1
  1      0.3721200              1.0000000        


name: aug-cc-pVTZ-DK
description: VTZ2P All-electron Douglas-Kroll Valence Triple Zeta + Polarization
elt: Cr
data:
CHROMIUM
S   19
  1 6177194.0000000             0.0000840        
  2 924929.5000000              0.0002410        
  3 210486.5000000              0.0006580        
  4  59620.0500000              0.0016730        
  5  19450.7600000              0.0042480        
  6   7022.0560000              0.0108890        
  7   2738.7630000              0.0278590        
  8   1135.8140000              0.0678880        
  9    495.0923000              0.1468020        
 10    224.7487000              0.2556230        
 11    105.3836000              0.2984080        
 12     50.1935900              0.1745600        
 13     22.2495700              0.0696900        
 14     10.9826500              0.1141840        
 15      5.3836650              0.0840700        
 16      2.3436850              0.0099260        
 17      1.1052020             -0.0003160        
 18      0.4878480              0.0000590        
 19      0.0895990              0.0000160        
S   19
  1 6177194.0000000            -0.0000460        
  2 924929.5000000             -0.0001340        
  3 210486.5000000             -0.0003640        
  4  59620.0500000             -0.0009270        
  5  19450.7600000             -0.0023610        
  6   7022.0560000             -0.0060760        
  7   2738.7630000             -0.0157230        
  8   1135.8140000             -0.0390780        
  9    495.0923000             -0.0887110        
 10    224.7487000             -0.1701120        
 11    105.3836000             -0.2472980        
 12     50.1935900             -0.1863810        
 13     22.2495700              0.1584390        
 14     10.9826500              0.5481250        
 15      5.3836650              0.3885790        
 16      2.3436850              0.0492810        
 17      1.1052020             -0.0043050        
 18      0.4878480              0.0001110        
 19      0.0895990             -0.0000270        
S   19
  1 6177194.0000000             0.0000100        
  2 924929.5000000              0.0000290        
  3 210486.5000000              0.0000780        
  4  59620.0500000              0.0002000        
  5  19450.7600000              0.0005110        
  6   7022.0560000              0.0013170        
  7   2738.7630000              0.0034470        
  8   1135.8140000              0.0086680        
  9    495.0923000              0.0204950        
 10    224.7487000              0.0417010        
 11    105.3836000              0.0693000        
 12     50.1935900              0.0581890        
 13     22.2495700             -0.0761810        
 14     10.9826500             -0.3561380        
 15      5.3836650             -0.3726510        
 16      2.3436850              0.2838030        
 17      1.1052020              0.7149340        
 18      0.4878480              0.2908760        
 19      0.0895990              0.0069090        
S   19
  1 6177194.0000000            -0.0000020        
  2 924929.5000000             -0.0000070        
  3 210486.5000000             -0.0000180        
  4  59620.0500000             -0.0000450        
  5  19450.7600000             -0.0001170        
  6   7022.0560000             -0.0002980        
  7   2738.7630000             -0.0007900        
  8   1135.8140000             -0.0019570        
  9    495.0923000             -0.0047250        
 10    224.7487000             -0.0093680        
 11    105.3836000             -0.0162500        
 12     50.1935900             -0.0125490        
 13     22.2495700              0.0155500        
 14     10.9826500              0.0916910        
 15      5.3836650              0.0854260        
 16      2.3436850             -0.0662500        
 17      1.1052020             -0.2868520        
 18      0.4878480             -0.1703030        
 19      0.0895990              0.6967260        
S   19
  1 6177194.0000000             0.0000040        
  2 924929.5000000              0.0000130        
  3 210486.5000000              0.0000360        
  4  59620.0500000              0.0000880        
  5  19450.7600000              0.0002390        
  6   7022.0560000              0.0005570        
  7   2738.7630000              0.0016820        
  8   1135.8140000              0.0034900        
  9    495.0923000              0.0105120        
 10    224.7487000              0.0153920        
 11    105.3836000              0.0402770        
 12     50.1935900              0.0073940        
 13     22.2495700              0.0140570        
 14     10.9826500             -0.2936730        
 15      5.3836650              0.0030100        
 16      2.3436850             -0.1758500        
 17      1.1052020              1.5006460        
 18      0.4878480             -1.1269400        
 19      0.0895990             -1.2270880        
S   19
  1 6177194.0000000            -0.0000070        
  2 924929.5000000             -0.0000210        
  3 210486.5000000             -0.0000580        
  4  59620.0500000             -0.0001450        
  5  19450.7600000             -0.0003840        
  6   7022.0560000             -0.0009370        
  7   2738.7630000             -0.0026480        
  8   1135.8140000             -0.0060270        
  9    495.0923000             -0.0162070        
 10    224.7487000             -0.0279550        
 11    105.3836000             -0.0593480        
 12     50.1935900             -0.0278590        
 13     22.2495700              0.0170670        
 14     10.9826500              0.4205010        
 15      5.3836650              0.2026980        
 16      2.3436850             -0.4517940        
 17      1.1052020             -1.9067910        
 18      0.4878480              2.8955150        
 19      0.0895990             -2.2377970        
S   1
  1      0.0334230              1.0000000        
S   1
  1      0.0124700              1.0000000        
P   15
  1  14454.2000000              0.0001150        
  2   3421.6760000              0.0005600        
  3   1111.3870000              0.0026530        
  4    425.1918000              0.0106120        
  5    180.2623000              0.0358670        
  6     82.0611700              0.0993240        
  7     39.2972600              0.2135250        
  8     19.4195900              0.3339970        
  9      9.8288990              0.3282920        
 10      5.0168100              0.1505820        
 11      2.4870910              0.0200020        
 12      1.1987800             -0.0015630        
 13      0.5586950             -0.0012910        
 14      0.2093660             -0.0002120        
 15      0.0847220              0.0000240        
P   15
  1  14454.2000000             -0.0000400        
  2   3421.6760000             -0.0001940        
  3   1111.3870000             -0.0009220        
  4    425.1918000             -0.0037110        
  5    180.2623000             -0.0127060        
  6     82.0611700             -0.0361210        
  7     39.2972600             -0.0805400        
  8     19.4195900             -0.1323120        
  9      9.8288990             -0.1340350        
 10      5.0168100              0.0347070        
 11      2.4870910              0.3356300        
 12      1.1987800              0.4612780        
 13      0.5586950              0.2785730        
 14      0.2093660              0.0412210        
 15      0.0847220             -0.0038000        
P   15
  1  14454.2000000              0.0000090        
  2   3421.6760000              0.0000460        
  3   1111.3870000              0.0002190        
  4    425.1918000              0.0008780        
  5    180.2623000              0.0030300        
  6     82.0611700              0.0085680        
  7     39.2972600              0.0193430        
  8     19.4195900              0.0315600        
  9      9.8288990              0.0330560        
 10      5.0168100             -0.0135900        
 11      2.4870910             -0.0940090        
 12      1.1987800             -0.1498470        
 13      0.5586950             -0.0657160        
 14      0.2093660              0.2711740        
 15      0.0847220              0.5750590        
P   15
  1  14454.2000000              0.0000120        
  2   3421.6760000              0.0000590        
  3   1111.3870000              0.0002770        
  4    425.1918000              0.0011210        
  5    180.2623000              0.0038200        
  6     82.0611700              0.0109400        
  7     39.2972600              0.0243010        
  8     19.4195900              0.0405940        
  9      9.8288990              0.0407730        
 10      5.0168100             -0.0134400        
 11      2.4870910             -0.1211060        
 12      1.1987800             -0.1827370        
 13      0.5586950             -0.1200720        
 14      0.2093660              0.4449520        
 15      0.0847220              0.6413430        
P   15
  1  14454.2000000              0.0000250        
  2   3421.6760000              0.0001160        
  3   1111.3870000              0.0006020        
  4    425.1918000              0.0021980        
  5    180.2623000              0.0083680        
  6     82.0611700              0.0212190        
  7     39.2972600              0.0545450        
  8     19.4195900              0.0746730        
  9      9.8288990              0.1147010        
 10      5.0168100             -0.0783210        
 11      2.4870910             -0.2465150        
 12      1.1987800             -0.6773230        
 13      0.5586950              0.7479410        
 14      0.2093660              0.9845060        
 15      0.0847220             -1.0295180        
P   1
  1      0.0332780              1.0000000        
P   1
  1      0.0130700              1.0000000        
D   7
  1     89.4745000              0.0036170        
  2     26.3368000              0.0255390        
  3      9.5342900              0.0968340        
  4      3.8211800              0.2351220        
  5      1.5716900              0.3574460        
  6      0.6264220              0.3691600        
  7      0.2330550              0.2380780        
D   7
  1     89.4745000             -0.0041240        
  2     26.3368000             -0.0290980        
  3      9.5342900             -0.1143160        
  4      3.8211800             -0.2719580        
  5      1.5716900             -0.3162730        
  6      0.6264220              0.0374570        
  7      0.2330550              0.5894820        
D   7
  1     89.4745000              0.0059530        
  2     26.3368000              0.0422270        
  3      9.5342900              0.1730970        
  4      3.8211800              0.3927110        
  5      1.5716900              0.1544870        
  6      0.6264220             -0.8070190        
  7      0.2330550              0.0009440        
D   1
  1      0.0763030              1.0000000        
D   1
  1      0.0249800              1.0000000        
F   1
  1      2.2211000              1.0000000        
F   1
  1      0.5231000              1.0000000        
F   1
  1      0.1724900              1.0000000        
G   1
  1      1.4199000              1.0000000        
G   1
  1      0.4989600              1.0000000        


name: aug-cc-pVTZ-DK
description: VTZ2P All-electron Douglas-Kroll Valence Triple Zeta + Polarization
elt: Mn
data:
MANGANESE
S   19
  1 3960805.0000000             0.0001350        
  2 593115.5000000              0.0003950        
  3 134976.8000000              0.0010960        
  4  38230.6700000              0.0028710        
  5  12471.5400000              0.0075540        
  6   4501.7430000              0.0199750        
  7   1755.2120000              0.0515080        
  8    727.3039000              0.1210030        
  9    316.3678000              0.2360360        
 10    143.0098000              0.3264820        
 11     66.2180500              0.2393020        
 12     29.9189600              0.0718200        
 13     14.3031800              0.0759500        
 14      6.8394510              0.0750300        
 15      3.0123740              0.0118360        
 16      1.4188080             -0.0003590        
 17      0.6236240             -0.0000620        
 18      0.1340980             -0.0000140        
 19      0.0655480              0.0000260        
S   19
  1 3960805.0000000            -0.0000650        
  2 593115.5000000             -0.0001890        
  3 134976.8000000             -0.0005250        
  4  38230.6700000             -0.0013790        
  5  12471.5400000             -0.0036420        
  6   4501.7430000             -0.0097110        
  7   1755.2120000             -0.0254890        
  8    727.3039000             -0.0622590        
  9    316.3678000             -0.1322860        
 10    143.0098000             -0.2204590        
 11     66.2180500             -0.2215130        
 12     29.9189600              0.0493360        
 13     14.3031800              0.5165030        
 14      6.8394510              0.4900740        
 15      3.0123740              0.0845860        
 16      1.4188080             -0.0068570        
 17      0.6236240             -0.0004660        
 18      0.1340980             -0.0005260        
 19      0.0655480              0.0004990        
S   19
  1 3960805.0000000             0.0000160        
  2 593115.5000000              0.0000460        
  3 134976.8000000              0.0001280        
  4  38230.6700000              0.0003370        
  5  12471.5400000              0.0008910        
  6   4501.7430000              0.0023910        
  7   1755.2120000              0.0063340        
  8    727.3039000              0.0158660        
  9    316.3678000              0.0352360        
 10    143.0098000              0.0645450        
 11     66.2180500              0.0730570        
 12     29.9189600             -0.0257370        
 13     14.3031800             -0.3026850        
 14      6.8394510             -0.4440650        
 15      3.0123740              0.1409020        
 16      1.4188080              0.7189900        
 17      0.6236240              0.3952070        
 18      0.1340980              0.0198510        
 19      0.0655480             -0.0077830        
S   19
  1 3960805.0000000            -0.0000040        
  2 593115.5000000             -0.0000100        
  3 134976.8000000             -0.0000290        
  4  38230.6700000             -0.0000750        
  5  12471.5400000             -0.0001990        
  6   4501.7430000             -0.0005330        
  7   1755.2120000             -0.0014130        
  8    727.3039000             -0.0035420        
  9    316.3678000             -0.0078710        
 10    143.0098000             -0.0144660        
 11     66.2180500             -0.0164250        
 12     29.9189600              0.0057620        
 13     14.3031800              0.0712660        
 14      6.8394510              0.1094140        
 15      3.0123740             -0.0428130        
 16      1.4188080             -0.2293830        
 17      0.6236240             -0.2461200        
 18      0.1340980              0.3096530        
 19      0.0655480              0.5658570        
S   19
  1 3960805.0000000            -0.0000070        
  2 593115.5000000             -0.0000210        
  3 134976.8000000             -0.0000570        
  4  38230.6700000             -0.0001530        
  5  12471.5400000             -0.0003900        
  6   4501.7430000             -0.0011070        
  7   1755.2120000             -0.0027160        
  8    727.3039000             -0.0075260        
  9    316.3678000             -0.0146430        
 10    143.0098000             -0.0324340        
 11     66.2180500             -0.0252390        
 12     29.9189600             -0.0086680        
 13     14.3031800              0.1951750        
 14      6.8394510              0.1474640        
 15      3.0123740              0.0703750        
 16      1.4188080             -1.0667770        
 17      0.6236240              0.3723110        
 18      0.1340980              1.9872070        
 19      0.0655480             -1.2893930        
S   19
  1 3960805.0000000            -0.0000110        
  2 593115.5000000             -0.0000340        
  3 134976.8000000             -0.0000930        
  4  38230.6700000             -0.0002500        
  5  12471.5400000             -0.0006340        
  6   4501.7430000             -0.0018190        
  7   1755.2120000             -0.0043920        
  8    727.3039000             -0.0124300        
  9    316.3678000             -0.0235800        
 10    143.0098000             -0.0543090        
 11     66.2180500             -0.0393500        
 12     29.9189600             -0.0205440        
 13     14.3031800              0.3531150        
 14      6.8394510              0.2786720        
 15      3.0123740             -0.1195220        
 16      1.4188080             -2.2468870        
 17      0.6236240              2.7026690        
 18      0.1340980             -0.5973580        
 19      0.0655480             -1.4948730        
S   1
  1      0.0295840              1.0000000        
S   1
  1      0.0133500              1.0000000        
P   15
  1  16205.8600000              0.0001180        
  2   3836.2740000              0.0005550        
  3   1246.0480000              0.0025910        
  4    476.7535000              0.0102970        
  5    202.1895000              0.0348120        
  6     92.0948700              0.0968140        
  7     44.1472000              0.2099030        
  8     21.8546800              0.3319070        
  9     11.0859600              0.3311790        
 10      5.6741080              0.1557000        
 11      2.8231700              0.0209060        
 12      1.3686210             -0.0028140        
 13      0.6444310             -0.0021480        
 14      0.2483460             -0.0003790        
 15      0.0971750              0.0000360        
P   15
  1  16205.8600000             -0.0000410        
  2   3836.2740000             -0.0001930        
  3   1246.0480000             -0.0009030        
  4    476.7535000             -0.0036140        
  5    202.1895000             -0.0123730        
  6     92.0948700             -0.0353410        
  7     44.1472000             -0.0794990        
  8     21.8546800             -0.1321930        
  9     11.0859600             -0.1356890        
 10      5.6741080              0.0301330        
 11      2.8231700              0.3310290        
 12      1.3686210              0.4567780        
 13      0.6444310              0.2859100        
 14      0.2483460              0.0465830        
 15      0.0971750             -0.0033840        
P   15
  1  16205.8600000             -0.0000090        
  2   3836.2740000             -0.0000440        
  3   1246.0480000             -0.0002080        
  4    476.7535000             -0.0008320        
  5    202.1895000             -0.0028570        
  6     92.0948700             -0.0081640        
  7     44.1472000             -0.0184550        
  8     21.8546800             -0.0307730        
  9     11.0859600             -0.0319990        
 10      5.6741080              0.0107510        
 11      2.8231700              0.0908940        
 12      1.3686210              0.1379450        
 13      0.6444310              0.0761120        
 14      0.2483460             -0.2313460        
 15      0.0971750             -0.5751700        
P   15
  1  16205.8600000              0.0000130        
  2   3836.2740000              0.0000600        
  3   1246.0480000              0.0002790        
  4    476.7535000              0.0011270        
  5    202.1895000              0.0038180        
  6     92.0948700              0.0110610        
  7     44.1472000              0.0245850        
  8     21.8546800              0.0420330        
  9     11.0859600              0.0418110        
 10      5.6741080             -0.0108470        
 11      2.8231700             -0.1265590        
 12      1.3686210             -0.1789830        
 13      0.6444310             -0.1260670        
 14      0.2483460              0.4203830        
 15      0.0971750              0.6578380        
P   15
  1  16205.8600000              0.0000270        
  2   3836.2740000              0.0001220        
  3   1246.0480000              0.0006140        
  4    476.7535000              0.0022650        
  5    202.1895000              0.0084770        
  6     92.0948700              0.0220190        
  7     44.1472000              0.0557870        
  8     21.8546800              0.0799210        
  9     11.0859600              0.1168920        
 10      5.6741080             -0.0685680        
 11      2.8231700             -0.2828210        
 12      1.3686210             -0.6506830        
 13      0.6444310              0.7151330        
 14      0.2483460              0.9592410        
 15      0.0971750             -0.9371570        
P   1
  1      0.0365650              1.0000000        
P   1
  1      0.0137600              1.0000000        
D   7
  1    101.9040000              0.0035750        
  2     30.0337000              0.0255750        
  3     10.9238000              0.0977470        
  4      4.3974000              0.2370560        
  5      1.8159500              0.3579230        
  6      0.7257310              0.3658070        
  7      0.2699610              0.2362960        
D   7
  1    101.9040000             -0.0036460        
  2     30.0337000             -0.0260790        
  3     10.9238000             -0.1024550        
  4      4.3974000             -0.2488950        
  5      1.8159500             -0.3018870        
  6      0.7257310              0.0083690        
  7      0.2699610              0.5397650        
D   7
  1    101.9040000              0.0058600        
  2     30.0337000              0.0421430        
  3     10.9238000              0.1737480        
  4      4.3974000              0.3964200        
  5      1.8159500              0.1643200        
  6      0.7257310             -0.7198750        
  7      0.2699610             -0.1641420        
D   1
  1      0.0877600              1.0000000        
D   1
  1      0.0285300              1.0000000        
F   1
  1      2.7032000              1.0000000        
F   1
  1      0.6438000              1.0000000        
F   1
  1      0.2176400              1.0000000        
G   1
  1      1.7022000              1.0000000        
G   1
  1      0.6143600              1.0000000        


name: aug-cc-pVTZ-DK
description: VTZ2P All-electron Douglas-Kroll Valence Triple Zeta + Polarization
elt: Fe
data:
IRON
S   19
  1 4316265.0000000             0.0001400        
  2 646342.4000000              0.0004050        
  3 147089.7000000              0.0011190        
  4  41661.5200000              0.0029070        
  5  13590.7700000              0.0075710        
  6   4905.7500000              0.0198180        
  7   1912.7460000              0.0507340        
  8    792.6043000              0.1187290        
  9    344.8065000              0.2311640        
 10    155.8999000              0.3193220        
 11     72.2309100              0.2336480        
 12     32.7250600              0.0740220        
 13     15.6676200              0.0909520        
 14      7.5034830              0.0888980        
 15      3.3122230              0.0143020        
 16      1.5584710             -0.0003870        
 17      0.6839140              0.0000080        
 18      0.1467570             -0.0000250        
 19      0.0705830              0.0000320        
S   19
  1 4316265.0000000            -0.0000720        
  2 646342.4000000             -0.0002090        
  3 147089.7000000             -0.0005790        
  4  41661.5200000             -0.0015060        
  5  13590.7700000             -0.0039390        
  6   4905.7500000             -0.0103960        
  7   1912.7460000             -0.0270740        
  8    792.6043000             -0.0657770        
  9    344.8065000             -0.1390820        
 10    155.8999000             -0.2301500        
 11     72.2309100             -0.2296630        
 12     32.7250600              0.0460910        
 13     15.6676200              0.5150510        
 14      7.5034830              0.4871750        
 15      3.3122230              0.0843800        
 16      1.5584710             -0.0059110        
 17      0.6839140             -0.0000440        
 18      0.1467570             -0.0004870        
 19      0.0705830              0.0004370        
S   19
  1 4316265.0000000             0.0000170        
  2 646342.4000000              0.0000490        
  3 147089.7000000              0.0001350        
  4  41661.5200000              0.0003520        
  5  13590.7700000              0.0009230        
  6   4905.7500000              0.0024520        
  7   1912.7460000              0.0064510        
  8    792.6043000              0.0161060        
  9    344.8065000              0.0357420        
 10    155.8999000              0.0655280        
 11     72.2309100              0.0744300        
 12     32.7250600             -0.0257110        
 13     15.6676200             -0.3086450        
 14      7.5034830             -0.4465440        
 15      3.3122230              0.1489850        
 16      1.5584710              0.7203950        
 17      0.6839140              0.3896980        
 18      0.1467570              0.0191840        
 19      0.0705830             -0.0070230        
S   19
  1 4316265.0000000            -0.0000040        
  2 646342.4000000             -0.0000110        
  3 147089.7000000             -0.0000290        
  4  41661.5200000             -0.0000770        
  5  13590.7700000             -0.0002010        
  6   4905.7500000             -0.0005350        
  7   1912.7460000             -0.0014080        
  8    792.6043000             -0.0035180        
  9    344.8065000             -0.0078140        
 10    155.8999000             -0.0143720        
 11     72.2309100             -0.0163830        
 12     32.7250600              0.0056430        
 13     15.6676200              0.0712210        
 14      7.5034830              0.1078000        
 15      3.3122230             -0.0442620        
 16      1.5584710             -0.2259990        
 17      0.6839140             -0.2376280        
 18      0.1467570              0.2977800        
 19      0.0705830              0.5654970        
S   19
  1 4316265.0000000            -0.0000070        
  2 646342.4000000             -0.0000210        
  3 147089.7000000             -0.0000580        
  4  41661.5200000             -0.0001550        
  5  13590.7700000             -0.0003930        
  6   4905.7500000             -0.0011010        
  7   1912.7460000             -0.0026930        
  8    792.6043000             -0.0074040        
  9    344.8065000             -0.0144840        
 10    155.8999000             -0.0318530        
 11     72.2309100             -0.0253520        
 12     32.7250600             -0.0078870        
 13     15.6676200              0.1914700        
 14      7.5034830              0.1482420        
 15      3.3122230              0.0507610        
 16      1.5584710             -1.0122460        
 17      0.6839140              0.3423390        
 18      0.1467570              1.8572660        
 19      0.0705830             -1.0636790        
S   19
  1 4316265.0000000            -0.0000120        
  2 646342.4000000             -0.0000360        
  3 147089.7000000             -0.0000990        
  4  41661.5200000             -0.0002630        
  5  13590.7700000             -0.0006640        
  6   4905.7500000             -0.0018690        
  7   1912.7460000             -0.0045420        
  8    792.6043000             -0.0126010        
  9    344.8065000             -0.0244230        
 10    155.8999000             -0.0546520        
 11     72.2309100             -0.0425410        
 12     32.7250600             -0.0159890        
 13     15.6676200              0.3459640        
 14      7.5034830              0.3206410        
 15      3.3122230             -0.2021250        
 16      1.5584710             -2.1606730        
 17      0.6839140              2.6274860        
 18      0.1467570             -0.4754520        
 19      0.0705830             -1.5666130        
S   1
  1      0.0314490              1.0000000        
S   1
  1      0.0140100              1.0000000        
P   15
  1  17745.6900000              0.0001230        
  2   4200.7210000              0.0005660        
  3   1364.4290000              0.0026080        
  4    522.0806000              0.0102950        
  5    221.4595000              0.0347510        
  6    100.9096000              0.0966900        
  7     48.4011500              0.2100300        
  8     23.9853600              0.3324570        
  9     12.1825000              0.3307710        
 10      6.2422980              0.1547330        
 11      3.1109440              0.0209640        
 12      1.5099580             -0.0023460        
 13      0.7108450             -0.0018540        
 14      0.2725980             -0.0003170        
 15      0.1039720              0.0000300        
P   15
  1  17745.6900000             -0.0000430        
  2   4200.7210000             -0.0002000        
  3   1364.4290000             -0.0009230        
  4    522.0806000             -0.0036680        
  5    221.4595000             -0.0125390        
  6    100.9096000             -0.0358480        
  7     48.4011500             -0.0808220        
  8     23.9853600             -0.1346970        
  9     12.1825000             -0.1369120        
 10      6.2422980              0.0337130        
 11      3.1109440              0.3356700        
 12      1.5099580              0.4554960        
 13      0.7108450              0.2817600        
 14      0.2725980              0.0451500        
 15      0.1039720             -0.0031650        
P   15
  1  17745.6900000              0.0000090        
  2   4200.7210000              0.0000440        
  3   1364.4290000              0.0002010        
  4    522.0806000              0.0008000        
  5    221.4595000              0.0027380        
  6    100.9096000              0.0078480        
  7     48.4011500              0.0177390        
  8     23.9853600              0.0297490        
  9     12.1825000              0.0303890        
 10      6.2422980             -0.0107650        
 11      3.1109440             -0.0876890        
 12      1.5099580             -0.1284700        
 13      0.7108450             -0.0739960        
 14      0.2725980              0.2154550        
 15      0.1039720              0.5720050        
P   15
  1  17745.6900000              0.0000140        
  2   4200.7210000              0.0000660        
  3   1364.4290000              0.0003030        
  4    522.0806000              0.0012190        
  5    221.4595000              0.0041200        
  6    100.9096000              0.0119530        
  7     48.4011500              0.0266200        
  8     23.9853600              0.0456990        
  9     12.1825000              0.0450330        
 10      6.2422980             -0.0130110        
 11      3.1109440             -0.1413750        
 12      1.5099580             -0.1941480        
 13      0.7108450             -0.1017700        
 14      0.2725980              0.4678640        
 15      0.1039720              0.6242180        
P   15
  1  17745.6900000              0.0000300        
  2   4200.7210000              0.0001340        
  3   1364.4290000              0.0006590        
  4    522.0806000              0.0024470        
  5    221.4595000              0.0090140        
  6    100.9096000              0.0238230        
  7     48.4011500              0.0593640        
  8     23.9853600              0.0875800        
  9     12.1825000              0.1222860        
 10      6.2422980             -0.0681120        
 11      3.1109440             -0.3519070        
 12      1.5099580             -0.6237060        
 13      0.7108450              0.8414480        
 14      0.2725980              0.7920700        
 15      0.1039720             -0.9175100        
P   1
  1      0.0381660              1.0000000        
P   1
  1      0.0140100              1.0000000        
D   7
  1    114.8840000              0.0035320        
  2     33.8878000              0.0255500        
  3     12.3730000              0.0983570        
  4      4.9992500              0.2379190        
  5      2.0704300              0.3565390        
  6      0.8281830              0.3628480        
  7      0.3075470              0.2388030        
D   7
  1    114.8840000             -0.0038960        
  2     33.8878000             -0.0282070        
  3     12.3730000             -0.1115730        
  4      4.9992500             -0.2728390        
  5      2.0704300             -0.3171520        
  6      0.8281830              0.0520620        
  7      0.3075470              0.5612690        
D   7
  1    114.8840000              0.0057030        
  2     33.8878000              0.0416910        
  3     12.3730000              0.1720430        
  4      4.9992500              0.4086070        
  5      2.0704300              0.1195250        
  6      0.8281830             -0.7660380        
  7      0.3075470             -0.0430810        
D   1
  1      0.0994550              1.0000000        
D   1
  1      0.0321600              1.0000000        
F   1
  1      3.2243000              1.0000000        
F   1
  1      0.7758000              1.0000000        
F   1
  1      0.2672300              1.0000000        
G   1
  1      2.0515000              1.0000000        
G   1
  1      0.7642600              1.0000000        


name: aug-cc-pVTZ-DK
description: VTZ2P All-electron Douglas-Kroll Valence Triple Zeta + Polarization
elt: Co
data:
COBALT
S   19
  1 4675675.0000000             0.0001460        
  2 700161.5000000              0.0004220        
  3 159337.3000000              0.0011570        
  4  45130.4600000              0.0029820        
  5  14722.3800000              0.0076950        
  6   5314.2220000              0.0199530        
  7   2072.0180000              0.0507170        
  8    858.6188000              0.1182300        
  9    373.5497000              0.2298040        
 10    168.9229000              0.3172830        
 11     78.2963900              0.2323250        
 12     35.5212300              0.0748630        
 13     17.0414400              0.0946490        
 14      8.1730000              0.0916250        
 15      3.6103180              0.0146600        
 16      1.6970470             -0.0004140        
 17      0.7435320              0.0000050        
 18      0.1583440             -0.0000280        
 19      0.0750360              0.0000290        
S   19
  1 4675675.0000000            -0.0000770        
  2 700161.5000000             -0.0002220        
  3 159337.3000000             -0.0006100        
  4  45130.4600000             -0.0015760        
  5  14722.3800000             -0.0040850        
  6   5314.2220000             -0.0106780        
  7   2072.0180000             -0.0276130        
  8    858.6188000             -0.0668160        
  9    373.5497000             -0.1409790        
 10    168.9229000             -0.2329210        
 11     78.2963900             -0.2320460        
 12     35.5212300              0.0465530        
 13     17.0414400              0.5169650        
 14      8.1730000              0.4848400        
 15      3.6103180              0.0832890        
 16      1.6970470             -0.0058110        
 17      0.7435320             -0.0000540        
 18      0.1583440             -0.0004680        
 19      0.0750360              0.0003890        
S   19
  1 4675675.0000000             0.0000180        
  2 700161.5000000              0.0000520        
  3 159337.3000000              0.0001420        
  4  45130.4600000              0.0003670        
  5  14722.3800000              0.0009540        
  6   5314.2220000              0.0025120        
  7   2072.0180000              0.0065640        
  8    858.6188000              0.0163310        
  9    373.5497000              0.0361860        
 10    168.9229000              0.0663520        
 11     78.2963900              0.0753430        
 12     35.5212300             -0.0264870        
 13     17.0414400             -0.3148050        
 14      8.1730000             -0.4467120        
 15      3.6103180              0.1601200        
 16      1.6970470              0.7213240        
 17      0.7435320              0.3823570        
 18      0.1583440              0.0181880        
 19      0.0750360             -0.0064150        
S   19
  1 4675675.0000000            -0.0000040        
  2 700161.5000000             -0.0000110        
  3 159337.3000000             -0.0000300        
  4  45130.4600000             -0.0000780        
  5  14722.3800000             -0.0002040        
  6   5314.2220000             -0.0005360        
  7   2072.0180000             -0.0014020        
  8    858.6188000             -0.0034900        
  9    373.5497000             -0.0077400        
 10    168.9229000             -0.0142400        
 11     78.2963900             -0.0162270        
 12     35.5212300              0.0056920        
 13     17.0414400              0.0711360        
 14      8.1730000              0.1054210        
 15      3.6103180             -0.0461870        
 16      1.6970470             -0.2220020        
 17      0.7435320             -0.2286240        
 18      0.1583440              0.2913320        
 19      0.0750360              0.5630580        
S   19
  1 4675675.0000000            -0.0000070        
  2 700161.5000000             -0.0000220        
  3 159337.3000000             -0.0000590        
  4  45130.4600000             -0.0001550        
  5  14722.3800000             -0.0003910        
  6   5314.2220000             -0.0010810        
  7   2072.0180000             -0.0026380        
  8    858.6188000             -0.0071860        
  9    373.5497000             -0.0141410        
 10    168.9229000             -0.0308010        
 11     78.2963900             -0.0250300        
 12     35.5212300             -0.0064990        
 13     17.0414400              0.1848310        
 14      8.1730000              0.1464850        
 15      3.6103180              0.0302550        
 16      1.6970470             -0.9422380        
 17      0.7435320              0.3006350        
 18      0.1583440              1.7414180        
 19      0.0750360             -0.8549780        
S   19
  1 4675675.0000000            -0.0000130        
  2 700161.5000000             -0.0000390        
  3 159337.3000000             -0.0001060        
  4  45130.4600000             -0.0002790        
  5  14722.3800000             -0.0007010        
  6   5314.2220000             -0.0019420        
  7   2072.0180000             -0.0047230        
  8    858.6188000             -0.0129400        
  9    373.5497000             -0.0253430        
 10    168.9229000             -0.0558190        
 11     78.2963900             -0.0449660        
 12     35.5212300             -0.0133060        
 13     17.0414400              0.3496310        
 14      8.1730000              0.3478650        
 15      3.6103180             -0.2728950        
 16      1.6970470             -2.0932430        
 17      0.7435320              2.5711840        
 18      0.1583440             -0.3869540        
 19      0.0750360             -1.5896740        
S   1
  1      0.0330910              1.0000000        
S   1
  1      0.0145900              1.0000000        
P   15
  1  19267.7800000              0.0001300        
  2   4560.9860000              0.0005820        
  3   1481.4360000              0.0026480        
  4    566.8671000              0.0103810        
  5    240.4910000              0.0349630        
  6    109.6105000              0.0972290        
  7     52.5949100              0.2112480        
  8     26.0836100              0.3338520        
  9     13.2614300              0.3297510        
 10      6.7997780              0.1522940        
 11      3.3934140              0.0202650        
 12      1.6487660             -0.0022850        
 13      0.7762820             -0.0018110        
 14      0.2972090             -0.0002960        
 15      0.1133520              0.0000280        
P   15
  1  19267.7800000             -0.0000460        
  2   4560.9860000             -0.0002080        
  3   1481.4360000             -0.0009470        
  4    566.8671000             -0.0037380        
  5    240.4910000             -0.0127500        
  6    109.6105000             -0.0364470        
  7     52.5949100             -0.0822350        
  8     26.0836100             -0.1369990        
  9     13.2614300             -0.1371210        
 10      6.7997780              0.0393210        
 11      3.3934140              0.3412260        
 12      1.6487660              0.4536340        
 13      0.7762820              0.2761140        
 14      0.2972090              0.0436650        
 15      0.1133520             -0.0030700        
P   15
  1  19267.7800000             -0.0000100        
  2   4560.9860000             -0.0000460        
  3   1481.4360000             -0.0002090        
  4    566.8671000             -0.0008250        
  5    240.4910000             -0.0028170        
  6    109.6105000             -0.0080680        
  7     52.5949100             -0.0182680        
  8     26.0836100             -0.0305860        
  9     13.2614300             -0.0308830        
 10      6.7997780              0.0123030        
 11      3.3934140              0.0904310        
 12      1.6487660              0.1308200        
 13      0.7762820              0.0692110        
 14      0.2972090             -0.2248820        
 15      0.1133520             -0.5696560        
P   15
  1  19267.7800000              0.0000160        
  2   4560.9860000              0.0000720        
  3   1481.4360000              0.0003260        
  4    566.8671000              0.0012980        
  5    240.4910000              0.0043920        
  6    109.6105000              0.0127000        
  7     52.5949100              0.0284240        
  8     26.0836100              0.0485330        
  9     13.2614300              0.0477520        
 10      6.7997780             -0.0166520        
 11      3.3934140             -0.1536670        
 12      1.6487660             -0.2056630        
 13      0.7762820             -0.0721800        
 14      0.2972090              0.4831410        
 15      0.1133520              0.5994720        
P   15
  1  19267.7800000              0.0000330        
  2   4560.9860000              0.0001460        
  3   1481.4360000              0.0006970        
  4    566.8671000              0.0026050        
  5    240.4910000              0.0094500        
  6    109.6105000              0.0253560        
  7     52.5949100              0.0621220        
  8     26.0836100              0.0939380        
  9     13.2614300              0.1254080        
 10      6.7997780             -0.0692560        
 11      3.3934140             -0.4148930        
 12      1.6487660             -0.5713060        
 13      0.7762820              0.9059860        
 14      0.2972090              0.6871310        
 15      0.1133520             -0.8901150        
P   1
  1      0.0415100              1.0000000        
P   1
  1      0.0152000              1.0000000        
D   7
  1    128.3920000              0.0035050        
  2     37.8938000              0.0255830        
  3     13.8798000              0.0990840        
  4      5.6254400              0.2391390        
  5      2.3353900              0.3561510        
  6      0.9351920              0.3604140        
  7      0.3469530              0.2392120        
D   7
  1    128.3920000             -0.0040650        
  2     37.8938000             -0.0297290        
  3     13.8798000             -0.1184660        
  4      5.6254400             -0.2897200        
  5      2.3353900             -0.3203480        
  6      0.9351920              0.0856800        
  7      0.3469530              0.5591230        
D   7
  1    128.3920000              0.0054720        
  2     37.8938000              0.0404550        
  3     13.8798000              0.1672810        
  4      5.6254400              0.4079820        
  5      2.3353900              0.0937800        
  6      0.9351920             -0.7662770        
  7      0.3469530             -0.0083060        
D   1
  1      0.1117230              1.0000000        
D   1
  1      0.0359800              1.0000000        
F   1
  1      3.7724000              1.0000000        
F   1
  1      0.9170000              1.0000000        
F   1
  1      0.3204100              1.0000000        
G   1
  1      2.4229000              1.0000000        
G   1
  1      0.9281600              1.0000000        


name: aug-cc-pVTZ-DK
description: VTZ2P All-electron Douglas-Kroll Valence Triple Zeta + Polarization
elt: Ni
data:
NICKEL
S   19
  1 5045991.0000000             0.0001570        
  2 755614.2000000              0.0004530        
  3 171956.8000000              0.0012370        
  4  48704.7900000              0.0031650        
  5  15888.4100000              0.0080950        
  6   5735.1230000              0.0208040        
  7   2236.1370000              0.0525340        
  8    926.6468000              0.1221290        
  9    403.1743000              0.2376390        
 10    182.3476000              0.3303120        
 11     84.5488500              0.2459140        
 12     38.3963400              0.0722760        
 13     18.4585900              0.0635120        
 14      8.8635480              0.0618840        
 15      3.9162270              0.0094000        
 16      1.8388700             -0.0002190        
 17      0.8043620             -0.0000790        
 18      0.1697970             -0.0000050        
 19      0.0793060              0.0000030        
S   19
  1 5045991.0000000            -0.0000710        
  2 755614.2000000             -0.0002060        
  3 171956.8000000             -0.0005620        
  4  48704.7900000             -0.0014420        
  5  15888.4100000             -0.0037060        
  6   5735.1230000             -0.0096110        
  7   2236.1370000             -0.0247360        
  8    926.6468000             -0.0599030        
  9    403.1743000             -0.1273860        
 10    182.3476000             -0.2141810        
 11     84.5488500             -0.2183240        
 12     38.3963400              0.0525980        
 13     18.4585900              0.5249320        
 14      8.8635480              0.4880070        
 15      3.9162270              0.0824840        
 16      1.8388700             -0.0067950        
 17      0.8043620             -0.0006430        
 18      0.1697970             -0.0004920        
 19      0.0793060              0.0003540        
S   19
  1 5045991.0000000             0.0000190        
  2 755614.2000000              0.0000540        
  3 171956.8000000              0.0001480        
  4  48704.7900000              0.0003810        
  5  15888.4100000              0.0009810        
  6   5735.1230000              0.0025590        
  7   2236.1370000              0.0066410        
  8    926.6468000              0.0164600        
  9    403.1743000              0.0364190        
 10    182.3476000              0.0667320        
 11     84.5488500              0.0757390        
 12     38.3963400             -0.0275100        
 13     18.4585900             -0.3190460        
 14      8.8635480             -0.4449190        
 15      3.9162270              0.1724220        
 16      1.8388700              0.7155720        
 17      0.8043620              0.3791720        
 18      0.1697970              0.0199360        
 19      0.0793060             -0.0074760        
S   19
  1 5045991.0000000            -0.0000040        
  2 755614.2000000             -0.0000110        
  3 171956.8000000             -0.0000310        
  4  48704.7900000             -0.0000810        
  5  15888.4100000             -0.0002080        
  6   5735.1230000             -0.0005430        
  7   2236.1370000             -0.0014080        
  8    926.6468000             -0.0034930        
  9    403.1743000             -0.0077330        
 10    182.3476000             -0.0142230        
 11     84.5488500             -0.0161810        
 12     38.3963400              0.0058410        
 13     18.4585900              0.0715790        
 14      8.8635480              0.1037370        
 15      3.9162270             -0.0483150        
 16      1.8388700             -0.2193040        
 17      0.8043620             -0.2208170        
 18      0.1697970              0.2869700        
 19      0.0793060              0.5599800        
S   19
  1 5045991.0000000            -0.0000080        
  2 755614.2000000             -0.0000230        
  3 171956.8000000             -0.0000620        
  4  48704.7900000             -0.0001630        
  5  15888.4100000             -0.0004080        
  6   5735.1230000             -0.0011120        
  7   2236.1370000             -0.0027090        
  8    926.6468000             -0.0073090        
  9    403.1743000             -0.0144650        
 10    182.3476000             -0.0311820        
 11     84.5488500             -0.0258350        
 12     38.3963400             -0.0053470        
 13     18.4585900              0.1860150        
 14      8.8635480              0.1546580        
 15      3.9162270              0.0114970        
 16      1.8388700             -0.9445660        
 17      0.8043620              0.3343100        
 18      0.1697970              1.6418710        
 19      0.0793060             -0.7399980        
S   19
  1 5045991.0000000            -0.0000140        
  2 755614.2000000             -0.0000410        
  3 171956.8000000             -0.0001120        
  4  48704.7900000             -0.0002930        
  5  15888.4100000             -0.0007340        
  6   5735.1230000             -0.0019960        
  7   2236.1370000             -0.0048850        
  8    926.6468000             -0.0131080        
  9    403.1743000             -0.0262220        
 10    182.3476000             -0.0559520        
 11     84.5488500             -0.0480980        
 12     38.3963400             -0.0074570        
 13     18.4585900              0.3403920        
 14      8.8635480              0.3967560        
 15      3.9162270             -0.3814920        
 16      1.8388700             -1.9913800        
 17      0.8043620              2.5352790        
 18      0.1697970             -0.4325800        
 19      0.0793060             -1.4869520        
S   1
  1      0.0346770              1.0000000        
S   1
  1      0.0151600              1.0000000        
P   15
  1  21027.9200000              0.0001350        
  2   4977.5600000              0.0005920        
  3   1616.7400000              0.0026560        
  4    618.6718000              0.0103370        
  5    262.5183000              0.0347520        
  6    119.6907000              0.0967040        
  7     57.4658500              0.2106590        
  8     28.5282900              0.3338280        
  9     14.5214800              0.3302200        
 10      7.4538500              0.1528010        
 11      3.7235530              0.0201490        
 12      1.8098130             -0.0027090        
 13      0.8513360             -0.0021100        
 14      0.3234058             -0.0003520        
 15      0.1190210              0.0000360        
P   15
  1  21027.9200000             -0.0000480        
  2   4977.5600000             -0.0002120        
  3   1616.7400000             -0.0009520        
  4    618.6718000             -0.0037330        
  5    262.5183000             -0.0127070        
  6    119.6907000             -0.0363710        
  7     57.4658500             -0.0822820        
  8     28.5282900             -0.1376490        
  9     14.5214800             -0.1371660        
 10      7.4538500              0.0402870        
 11      3.7235530              0.3422120        
 12      1.8098130              0.4496570        
 13      0.8513360              0.2777700        
 14      0.3234058              0.0464150        
 15      0.1190210             -0.0029490        
P   15
  1  21027.9200000              0.0000100        
  2   4977.5600000              0.0000430        
  3   1616.7400000              0.0001930        
  4    618.6718000              0.0007600        
  5    262.5183000              0.0025820        
  6    119.6907000              0.0074280        
  7     57.4658500              0.0167980        
  8     28.5282900              0.0283950        
  9     14.5214800              0.0281620        
 10      7.4538500             -0.0111460        
 11      3.7235530             -0.0833490        
 12      1.8098130             -0.1160880        
 13      0.8513360             -0.0700600        
 14      0.3234058              0.1995030        
 15      0.1190210              0.5660100        
P   15
  1  21027.9200000              0.0000200        
  2   4977.5600000              0.0000880        
  3   1616.7400000              0.0003950        
  4    618.6718000              0.0015560        
  5    262.5183000              0.0052820        
  6    119.6907000              0.0152130        
  7     57.4658500              0.0343730        
  8     28.5282900              0.0584340        
  9     14.5214800              0.0589690        
 10      7.4538500             -0.0229370        
 11      3.7235530             -0.1978840        
 12      1.8098130             -0.2473250        
 13      0.8513360              0.0095690        
 14      0.3234058              0.5450030        
 15      0.1190210              0.5235180        
P   15
  1  21027.9200000              0.0000360        
  2   4977.5600000              0.0001550        
  3   1616.7400000              0.0007280        
  4    618.6718000              0.0027250        
  5    262.5183000              0.0097810        
  6    119.6907000              0.0265470        
  7     57.4658500              0.0644440        
  8     28.5282900              0.0994710        
  9     14.5214800              0.1302080        
 10      7.4538500             -0.0707070        
 11      3.7235530             -0.4819430        
 12      1.8098130             -0.5056470        
 13      0.8513360              1.0016490        
 14      0.3234058              0.4887760        
 15      0.1190210             -0.8793020        
P   1
  1      0.0421620              1.0000000        
P   1
  1      0.0149400              1.0000000        
D   7
  1    142.5904000              0.0033890        
  2     42.1021900              0.0249280        
  3     15.4633700              0.0970560        
  4      6.2838100              0.2338120        
  5      2.6141700              0.3466580        
  6      1.0480200              0.3517990        
  7      0.3886520              0.2521850        
D   7
  1    142.5904000             -0.0035270        
  2     42.1021900             -0.0259470        
  3     15.4633700             -0.1036600        
  4      6.2838100             -0.2523870        
  5      2.6141700             -0.2967270        
  6      1.0480200             -0.0005790        
  7      0.3886520              0.4403890        
D   7
  1    142.5904000              0.0050760        
  2     42.1021900              0.0378570        
  3     15.4633700              0.1549620        
  4      6.2838100              0.3852530        
  5      2.6141700              0.1775600        
  6      1.0480200             -0.6259900        
  7      0.3886520             -0.3418510        
D   1
  1      0.1246640              1.0000000        
D   1
  1      0.0399900              1.0000000        
F   1
  1      4.3455000              1.0000000        
F   1
  1      1.0680000              1.0000000        
F   1
  1      0.3772500              1.0000000        
G   1
  1      2.9284000              1.0000000        
G   1
  1      1.1744600              1.0000000        


name: aug-cc-pVTZ-DK
description: VTZ2P All-electron Douglas-Kroll Valence Triple Zeta + Polarization
elt: Cu
data:
COPPER
S   19
  1 5430321.0000000             0.0001580        
  2 813166.5000000              0.0004520        
  3 185054.4000000              0.0012290        
  4  52414.6600000              0.0031200        
  5  17098.6800000              0.0079120        
  6   6171.9940000              0.0201420        
  7   2406.4810000              0.0504620        
  8    997.2584000              0.1166160        
  9    433.9289000              0.2255430        
 10    196.2869000              0.3101520        
 11     91.0428000              0.2261390        
 12     41.3842500              0.0769920        
 13     19.9327800              0.1087550        
 14      9.5818910              0.1029690        
 15      4.2345160              0.0162990        
 16      1.9858140             -0.0005390        
 17      0.8670830             -0.0000020        
 18      0.1813390             -0.0000380        
 19      0.0836570              0.0000260        
S   19
  1 5430321.0000000            -0.0000890        
  2 813166.5000000             -0.0002550        
  3 185054.4000000             -0.0006940        
  4  52414.6600000             -0.0017660        
  5  17098.6800000             -0.0044980        
  6   6171.9940000             -0.0115450        
  7   2406.4810000             -0.0294180        
  8    997.2584000             -0.0705170        
  9    433.9289000             -0.1477880        
 10    196.2869000             -0.2423800        
 11     91.0428000             -0.2390600        
 12     41.3842500              0.0476930        
 13     19.9327800              0.5194670        
 14      9.5818910              0.4781070        
 15      4.2345160              0.0805580        
 16      1.9858140             -0.0056280        
 17      0.8670830             -0.0000720        
 18      0.1813390             -0.0004330        
 19      0.0836570              0.0003080        
S   19
  1 5430321.0000000             0.0000200        
  2 813166.5000000              0.0000570        
  3 185054.4000000              0.0001560        
  4  52414.6600000              0.0003990        
  5  17098.6800000              0.0010190        
  6   6171.9940000              0.0026360        
  7   2406.4810000              0.0067920        
  8    997.2584000              0.0167720        
  9    433.9289000              0.0370240        
 10    196.2869000              0.0678320        
 11     91.0428000              0.0767680        
 12     41.3842500             -0.0285880        
 13     19.9327800             -0.3262330        
 14      9.5818910             -0.4451460        
 15      4.2345160              0.1815320        
 16      1.9858140              0.7219160        
 17      0.8670830              0.3686320        
 18      0.1813390              0.0163950        
 19      0.0836570             -0.0055260        
S   19
  1 5430321.0000000            -0.0000040        
  2 813166.5000000             -0.0000120        
  3 185054.4000000             -0.0000320        
  4  52414.6600000             -0.0000820        
  5  17098.6800000             -0.0002080        
  6   6171.9940000             -0.0005390        
  7   2406.4810000             -0.0013880        
  8    997.2584000             -0.0034300        
  9    433.9289000             -0.0075790        
 10    196.2869000             -0.0139340        
 11     91.0428000             -0.0158250        
 12     41.3842500              0.0058910        
 13     19.9327800              0.0706480        
 14      9.5818910              0.1003460        
 15      4.2345160             -0.0494610        
 16      1.9858140             -0.2136180        
 17      0.8670830             -0.2122030        
 18      0.1813390              0.2812990        
 19      0.0836570              0.5560680        
S   19
  1 5430321.0000000            -0.0000080        
  2 813166.5000000             -0.0000220        
  3 185054.4000000             -0.0000590        
  4  52414.6600000             -0.0001520        
  5  17098.6800000             -0.0003780        
  6   6171.9940000             -0.0010180        
  7   2406.4810000             -0.0024730        
  8    997.2584000             -0.0066140        
  9    433.9289000             -0.0131520        
 10    196.2869000             -0.0280830        
 11     91.0428000             -0.0236610        
 12     41.3842500             -0.0036580        
 13     19.9327800              0.1674510        
 14      9.5818910              0.1378490        
 15      4.2345160              0.0016950        
 16      1.9858140             -0.7988610        
 17      0.8670830              0.2036390        
 18      0.1813390              1.5496910        
 19      0.0836570             -0.4950240        
S   19
  1 5430321.0000000            -0.0000150        
  2 813166.5000000             -0.0000440        
  3 185054.4000000             -0.0001200        
  4  52414.6600000             -0.0003110        
  5  17098.6800000             -0.0007720        
  6   6171.9940000             -0.0020890        
  7   2406.4810000             -0.0050510        
  8    997.2584000             -0.0135990        
  9    433.9289000             -0.0268750        
 10    196.2869000             -0.0581380        
 11     91.0428000             -0.0483310        
 12     41.3842500             -0.0099160        
 13     19.9327800              0.3623720        
 14      9.5818910              0.3778960        
 15      4.2345160             -0.3717270        
 16      1.9858140             -1.9911290        
 17      0.8670830              2.4682360        
 18      0.1813390             -0.2144460        
 19      0.0836570             -1.6347140        
S   1
  1      0.0362670              1.0000000        
S   1
  1      0.0157200              1.0000000        
P   15
  1  22760.5700000              0.0001410        
  2   5387.6790000              0.0006050        
  3   1749.9450000              0.0026840        
  4    669.6653000              0.0103700        
  5    284.1948000              0.0347760        
  6    129.6077000              0.0967260        
  7     62.2541500              0.2108770        
  8     30.9296400              0.3341900        
  9     15.7582700              0.3295570        
 10      8.0942110              0.1519250        
 11      4.0469210              0.0205070        
 12      1.9678690             -0.0019660        
 13      0.9252950             -0.0016310        
 14      0.3510930             -0.0002570        
 15      0.1267990              0.0000250        
P   15
  1  22760.5700000             -0.0000510        
  2   5387.6790000             -0.0002200        
  3   1749.9450000             -0.0009770        
  4    669.6653000             -0.0038030        
  5    284.1948000             -0.0129160        
  6    129.6077000             -0.0369520        
  7     62.2541500             -0.0837090        
  8     30.9296400             -0.1400770        
  9     15.7582700             -0.1384230        
 10      8.0942110              0.0434860        
 11      4.0469210              0.3460780        
 12      1.9678690              0.4512300        
 13      0.9252950              0.2726370        
 14      0.3510930              0.0424640        
 15      0.1267990             -0.0027690        
P   15
  1  22760.5700000              0.0000100        
  2   5387.6790000              0.0000430        
  3   1749.9450000              0.0001900        
  4    669.6653000              0.0007430        
  5    284.1948000              0.0025150        
  6    129.6077000              0.0072460        
  7     62.2541500              0.0163750        
  8     30.9296400              0.0277810        
  9     15.7582700              0.0271200        
 10      8.0942110             -0.0112260        
 11      4.0469210             -0.0814740        
 12      1.9678690             -0.1106180        
 13      0.9252950             -0.0686690        
 14      0.3510930              0.1921350        
 15      0.1267990              0.5631450        
P   15
  1  22760.5700000              0.0000190        
  2   5387.6790000              0.0000830        
  3   1749.9450000              0.0003680        
  4    669.6653000              0.0014470        
  5    284.1948000              0.0048660        
  6    129.6077000              0.0141210        
  7     62.2541500              0.0316400        
  8     30.9296400              0.0545670        
  9     15.7582700              0.0530450        
 10      8.0942110             -0.0199460        
 11      4.0469210             -0.1835090        
 12      1.9678690             -0.2173260        
 13      0.9252950             -0.0282170        
 14      0.3510930              0.5289300        
 15      0.1267990              0.5575620        
P   15
  1  22760.5700000              0.0000390        
  2   5387.6790000              0.0001630        
  3   1749.9450000              0.0007550        
  4    669.6653000              0.0027930        
  5    284.1948000              0.0100480        
  6    129.6077000              0.0271150        
  7     62.2541500              0.0663200        
  8     30.9296400              0.1015580        
  9     15.7582700              0.1351580        
 10      8.0942110             -0.0778810        
 11      4.0469210             -0.4991720        
 12      1.9678690             -0.4817090        
 13      0.9252950              0.9798640        
 14      0.3510930              0.5025340        
 15      0.1267990             -0.8457230        
P   1
  1      0.0441620              1.0000000        
P   1
  1      0.0153800              1.0000000        
D   7
  1    177.6850000              0.0027090        
  2     52.5404000              0.0206850        
  3     19.4769000              0.0836260        
  4      8.0014600              0.2129230        
  5      3.3989200              0.3355660        
  6      1.4053800              0.3581080        
  7      0.5453300              0.2664410        
D   7
  1    177.6850000             -0.0033770        
  2     52.5404000             -0.0258190        
  3     19.4769000             -0.1072400        
  4      8.0014600             -0.2805410        
  5      3.3989200             -0.3487320        
  6      1.4053800              0.0216090        
  7      0.5453300              0.4916130        
D   7
  1    177.6850000              0.0041660        
  2     52.5404000              0.0328750        
  3     19.4769000              0.1373620        
  4      8.0014600              0.3890960        
  5      3.3989200              0.1757660        
  6      1.4053800             -0.6834990        
  7      0.5453300             -0.2673480        
D   1
  1      0.1881100              1.0000000        
D   1
  1      0.0648900              1.0000000        
F   1
  1      5.0286000              1.0000000        
F   1
  1      1.2594000              1.0000000        
F   1
  1      0.4516500              1.0000000        
G   1
  1      3.4097000              1.0000000        
G   1
  1      1.4055600              1.0000000        


name: aug-cc-pVTZ-DK
description: VTZ2P All-electron Douglas-Kroll Valence Triple Zeta + Polarization
elt: Zn
data:
ZINC
S   19
  1 5820021.0000000             0.0001810        
  2 871523.4000000              0.0005170        
  3 198335.0000000              0.0013980        
  4  56176.3100000              0.0035270        
  5  18325.8200000              0.0088750        
  6   6614.9550000              0.0224190        
  7   2579.1990000              0.0558730        
  8   1068.8490000              0.1290790        
  9    465.1045000              0.2514150        
 10    210.4130000              0.3533410        
 11     97.6162900              0.2703150        
 12     44.3802000              0.0652220        
 13     21.4230800             -0.0012330        
 14     10.3089100              0.0017950        
 15      4.5536450             -0.0008220        
 16      2.1328210              0.0003480        
 17      0.9296970             -0.0001310        
 18      0.1921470              0.0000440        
 19      0.0875950             -0.0000340        
S   19
  1 5820021.0000000            -0.0000570        
  2 871523.4000000             -0.0001630        
  3 198335.0000000             -0.0004420        
  4  56176.3100000             -0.0011190        
  5  18325.8200000             -0.0028350        
  6   6614.9550000             -0.0072510        
  7   2579.1990000             -0.0185310        
  8   1068.8490000             -0.0451410        
  9    465.1045000             -0.0983060        
 10    210.4130000             -0.1733870        
 11     97.6162900             -0.1868340        
 12     44.3802000              0.0652290        
 13     21.4230800              0.5320160        
 14     10.3089100              0.4835280        
 15      4.5536450              0.0815730        
 16      2.1328210             -0.0016950        
 17      0.9296970              0.0018290        
 18      0.1921470             -0.0003330        
 19      0.0875950              0.0002590        
S   19
  1 5820021.0000000             0.0000220        
  2 871523.4000000              0.0000620        
  3 198335.0000000              0.0001680        
  4  56176.3100000              0.0004250        
  5  18325.8200000              0.0010750        
  6   6614.9550000              0.0027590        
  7   2579.1990000              0.0070580        
  8   1068.8490000              0.0173590        
  9    465.1045000              0.0381960        
 10    210.4130000              0.0698660        
 11     97.6162900              0.0785690        
 12     44.3802000             -0.0304770        
 13     21.4230800             -0.3364460        
 14     10.3089100             -0.4468440        
 15      4.5536450              0.1925050        
 16      2.1328210              0.7303950        
 17      0.9296970              0.3557030        
 18      0.1921470              0.0116980        
 19      0.0875950             -0.0051350        
S   19
  1 5820021.0000000             0.0000040        
  2 871523.4000000              0.0000130        
  3 198335.0000000              0.0000340        
  4  56176.3100000              0.0000860        
  5  18325.8200000              0.0002180        
  6   6614.9550000              0.0005590        
  7   2579.1990000              0.0014290        
  8   1068.8490000              0.0035270        
  9    465.1045000              0.0077430        
 10    210.4130000              0.0143060        
 11     97.6162900              0.0160020        
 12     44.3802000             -0.0059930        
 13     21.4230800             -0.0737340        
 14     10.3089100             -0.0999900        
 15      4.5536450              0.0503190        
 16      2.1328210              0.2265840        
 17      0.9296970              0.2085750        
 18      0.1921470             -0.3426590        
 19      0.0875950             -0.5537360        
S   19
  1 5820021.0000000            -0.0000120        
  2 871523.4000000             -0.0000340        
  3 198335.0000000             -0.0000920        
  4  56176.3100000             -0.0002360        
  5  18325.8200000             -0.0005790        
  6   6614.9550000             -0.0015670        
  7   2579.1990000             -0.0037110        
  8   1068.8490000             -0.0101370        
  9    465.1045000             -0.0194410        
 10    210.4130000             -0.0435090        
 11     97.6162900             -0.0328970        
 12     44.3802000             -0.0116540        
 13     21.4230800              0.2749530        
 14     10.3089100              0.1925200        
 15      4.5536450             -0.0335680        
 16      2.1328210             -1.3737440        
 17      0.9296970              0.8944720        
 18      0.1921470              1.6527400        
 19      0.0875950             -1.4224370        
S   19
  1 5820021.0000000             0.0000170        
  2 871523.4000000              0.0000490        
  3 198335.0000000              0.0001340        
  4  56176.3100000              0.0003390        
  5  18325.8200000              0.0008570        
  6   6614.9550000              0.0022090        
  7   2579.1990000              0.0056230        
  8   1068.8490000              0.0139690        
  9    465.1045000              0.0305880        
 10    210.4130000              0.0573300        
 11     97.6162900              0.0639310        
 12     44.3802000             -0.0204920        
 13     21.4230800             -0.3330400        
 14     10.3089100             -0.5856710        
 15      4.5536450              1.0017280        
 16      2.1328210              1.4209710        
 17      0.9296970             -2.7308990        
 18      0.1921470              2.1871820        
 19      0.0875950             -0.7685880        
S   1
  1      0.0377020              1.0000000        
S   1
  1      0.0162300              1.0000000        
P   15
  1  24411.9800000              0.0001480        
  2   5778.5180000              0.0006240        
  3   1876.8620000              0.0027340        
  4    718.2361000              0.0104840        
  5    304.8327000              0.0350530        
  6    139.0453000              0.0973300        
  7     66.8041700              0.2119030        
  8     33.2069900              0.3346760        
  9     16.9281600              0.3270750        
 10      8.6962290              0.1493830        
 11      4.3505100              0.0223870        
 12      2.1165230              0.0015560        
 13      0.9953870              0.0004640        
 14      0.3756390              0.0000630        
 15      0.1338850             -0.0000010        
P   15
  1  24411.9800000             -0.0000560        
  2   5778.5180000             -0.0002340        
  3   1876.8620000             -0.0010300        
  4    718.2361000             -0.0039780        
  5    304.8327000             -0.0134720        
  6    139.0453000             -0.0384660        
  7     66.8041700             -0.0870240        
  8     33.2069900             -0.1450960        
  9     16.9281600             -0.1409790        
 10      8.6962290              0.0487290        
 11      4.3505100              0.3525240        
 12      2.1165230              0.4523900        
 13      0.9953870              0.2638190        
 14      0.3756390              0.0375680        
 15      0.1338850             -0.0024730        
P   15
  1  24411.9800000              0.0000100        
  2   5778.5180000              0.0000430        
  3   1876.8620000              0.0001900        
  4    718.2361000              0.0007360        
  5    304.8327000              0.0024840        
  6    139.0453000              0.0071540        
  7     66.8041700              0.0161380        
  8     33.2069900              0.0273510        
  9     16.9281600              0.0261260        
 10      8.6962290             -0.0120490        
 11      4.3505100             -0.0803120        
 12      2.1165230             -0.1062960        
 13      0.9953870             -0.0655610        
 14      0.3756390              0.1890660        
 15      0.1338850              0.5603730        
P   15
  1  24411.9800000              0.0000180        
  2   5778.5180000              0.0000750        
  3   1876.8620000              0.0003250        
  4    718.2361000              0.0012800        
  5    304.8327000              0.0042430        
  6    139.0453000              0.0124460        
  7     66.8041700              0.0274640        
  8     33.2069900              0.0481910        
  9     16.9281600              0.0439460        
 10      8.6962290             -0.0163250        
 11      4.3505100             -0.1593140        
 12      2.1165230             -0.1756920        
 13      0.9953870             -0.0747810        
 14      0.3756390              0.4845400        
 15      0.1338850              0.6147430        
P   15
  1  24411.9800000              0.0000410        
  2   5778.5180000              0.0001670        
  3   1876.8620000              0.0007710        
  4    718.2361000              0.0028180        
  5    304.8327000              0.0101770        
  6    139.0453000              0.0271970        
  7     66.8041700              0.0671150        
  8     33.2069900              0.1011510        
  9     16.9281600              0.1367580        
 10      8.6962290             -0.0879950        
 11      4.3505100             -0.4887840        
 12      2.1165230             -0.4709370        
 13      0.9953870              0.9185580        
 14      0.3756390              0.5839990        
 15      0.1338850             -0.8293170        
P   1
  1      0.0460230              1.0000000        
P   1
  1      0.0158200              1.0000000        
D   7
  1    210.9473000              0.0023530        
  2     62.3915100              0.0183840        
  3     23.2648200              0.0762730        
  4      9.6233420              0.2008410        
  5      4.1394180              0.3289980        
  6      1.7440790              0.3618560        
  7      0.6953250              0.2736090        
D   7
  1    210.9473000              0.0032890        
  2     62.3915100              0.0258270        
  3     23.2648200              0.1099330        
  4      9.6233420              0.3017170        
  5      4.1394180              0.3873400        
  6      1.7440790             -0.0503910        
  7      0.6953250             -0.5385100        
D   7
  1    210.9473000              0.0037910        
  2     62.3915100              0.0316320        
  3     23.2648200              0.1315250        
  4      9.6233420              0.4230030        
  5      4.1394180              0.1330790        
  6      1.7440790             -0.7721180        
  7      0.6953250             -0.1077820        
D   1
  1      0.2487240              1.0000000        
D   1
  1      0.0889700              1.0000000        
F   1
  1      5.7344000              1.0000000        
F   1
  1      1.4615000              1.0000000        
F   1
  1      0.5365400              1.0000000        
G   1
  1      4.0243000              1.0000000        
G   1
  1      1.7512600              1.0000000        


name: aug-cc-pVTZ-DK
description: VTZ2P All-electron Douglas-Kroll Valence Triple Zeta + Polarization
elt: Ga
data:
GALLIUM
S   18
  1 6558157.3000000             0.0001824        
  2 982025.3400000              0.0005177        
  3 223467.6900000              0.0013908        
  4  63288.2910000              0.0034763        
  5  20642.9400000              0.0086475        
  6   7450.5224000              0.0215824        
  7   2905.0744000              0.0533192        
  8   1204.2100000              0.1230467        
  9    524.3045400              0.2418302        
 10    237.4656300              0.3486610        
 11    110.5786600              0.2813675        
 12     51.3746240              0.0770693        
 13     24.4408460              0.0007199        
 14     11.7685910              0.0015065        
 15      5.3421190             -0.0007046        
 16      2.4950360              0.0002904        
 17      1.0987730             -0.0001217        
 18      0.2601800              0.0000481        
S   18
  1 6558157.3000000            -0.0000578        
  2 982025.3400000             -0.0001642        
  3 223467.6900000             -0.0004421        
  4  63288.2910000             -0.0011088        
  5  20642.9400000             -0.0027770        
  6   7450.5224000             -0.0070113        
  7   2905.0744000             -0.0177630        
  8   1204.2100000             -0.0430671        
  9    524.3045400             -0.0942979        
 10    237.4656300             -0.1682333        
 11    110.5786600             -0.1920558        
 12     51.3746240              0.0322130        
 13     24.4408460              0.5067776        
 14     11.7685910              0.5119130        
 15      5.3421190              0.1013758        
 16      2.4950360             -0.0005193        
 17      1.0987730              0.0019537        
 18      0.2601800             -0.0004132        
S   18
  1 6558157.3000000             0.0000221        
  2 982025.3400000              0.0000629        
  3 223467.6900000              0.0001693        
  4  63288.2910000              0.0004248        
  5  20642.9400000              0.0010643        
  6   7450.5224000              0.0026936        
  7   2905.0744000              0.0068360        
  8   1204.2100000              0.0167106        
  9    524.3045400              0.0370063        
 10    237.4656300              0.0682233        
 11    110.5786600              0.0815400        
 12     51.3746240             -0.0154147        
 13     24.4408460             -0.3146048        
 14     11.7685910             -0.4706133        
 15      5.3421190              0.1204001        
 16      2.4950360              0.7334175        
 17      1.0987730              0.4050372        
 18      0.2601800              0.0170135        
S   18
  1 6558157.3000000             0.0000052        
  2 982025.3400000              0.0000147        
  3 223467.6900000              0.0000397        
  4  63288.2910000              0.0000996        
  5  20642.9400000              0.0002495        
  6   7450.5224000              0.0006322        
  7   2905.0744000              0.0016023        
  8   1204.2100000              0.0039305        
  9    524.3045400              0.0086872        
 10    237.4656300              0.0161696        
 11    110.5786600              0.0192508        
 12     51.3746240             -0.0033586        
 13     24.4408460             -0.0797249        
 14     11.7685910             -0.1225769        
 15      5.3421190              0.0371685        
 16      2.4950360              0.2620987        
 17      1.0987730              0.2685482        
 18      0.2601800             -0.3443144        
S   1
  1      0.1270790              1.0000000        
S   1
  1      0.0544080              1.0000000        
S   1
  1      0.0143980              1.0000000        
P   11
  1   8050.1674000              0.0006619        
  2   1907.5361000              0.0035945        
  3    618.6274600              0.0170446        
  4    235.3241700              0.0632707        
  5     98.8996460              0.1772908        
  6     44.2482150              0.3424640        
  7     20.6174290              0.3863045        
  8      9.7805160              0.1801710        
  9      4.4412380              0.0212797        
 10      1.9640450              0.0011143        
 11      0.8335780              0.0002755        
P   11
  1   8050.1674000             -0.0002524        
  2   1907.5361000             -0.0013735        
  3    618.6274600             -0.0065895        
  4    235.3241700             -0.0248868        
  5     98.8996460             -0.0727876        
  6     44.2482150             -0.1475798        
  7     20.6174290             -0.1746522        
  8      9.7805160              0.0426881        
  9      4.4412380              0.4273103        
 10      1.9640450              0.4915516        
 11      0.8335780              0.1752072        
P   11
  1   8050.1674000              0.0000415        
  2   1907.5361000              0.0002216        
  3    618.6274600              0.0010930        
  4    235.3241700              0.0040097        
  5     98.8996460              0.0122163        
  6     44.2482150              0.0236719        
  7     20.6174290              0.0310083        
  8      9.7805160             -0.0149185        
  9      4.4412380             -0.0737916        
 10      1.9640450             -0.1263741        
 11      0.8335780              0.0201886        
P   1
  1      0.1934450              1.0000000        
P   1
  1      0.0561170              1.0000000        
P   1
  1      0.0193000              1.0000000        
D   7
  1    244.1474100              0.0021494        
  2     73.0675950              0.0166893        
  3     27.5920810              0.0702491        
  4     11.5465180              0.1900439        
  5      5.0486280              0.3240155        
  6      2.1784650              0.3667258        
  7      0.9002530              0.2772840        
D   1
  1      0.3373270              1.0000000        
D   1
  1      0.1169000              1.0000000        
D   1
  1      0.0387000              1.0000000        
F   1
  1      0.2881000              1.0000000        
F   1
  1      0.0980000              1.0000000        


name: aug-cc-pVTZ-DK
description: VTZ2P All-electron Douglas-Kroll Valence Triple Zeta + Polarization
elt: Ge
data:
GERMANIUM
S   18
  1 7447966.8000000             0.0001822        
  2 1115318.2000000             0.0005145        
  3 253842.6500000              0.0013723        
  4  71915.2850000              0.0033954        
  5  23470.1810000              0.0083389        
  6   8477.4918000              0.0205281        
  7   3308.3908000              0.0501963        
  8   1372.6054000              0.1156725        
  9    598.2200700              0.2297711        
 10    271.3860200              0.3414376        
 11    126.9779500              0.2937718        
 12     60.2220650              0.0938429        
 13     28.0185820              0.0038664        
 14     13.5175220              0.0009616        
 15      6.3094060             -0.0004521        
 16      2.9045340              0.0001645        
 17      1.2875560             -0.0000840        
 18      0.1677320             -0.0000244        
S   18
  1 7447966.8000000            -0.0000580        
  2 1115318.2000000            -0.0001640        
  3 253842.6500000             -0.0004384        
  4  71915.2850000             -0.0010881        
  5  23470.1810000             -0.0026914        
  6   8477.4918000             -0.0066952        
  7   3308.3908000             -0.0167882        
  8   1372.6054000             -0.0404722        
  9    598.2200700             -0.0891604        
 10    271.3860200             -0.1612429        
 11    126.9779500             -0.1961658        
 12     60.2220650             -0.0038005        
 13     28.0185820              0.4725566        
 14     13.5175220              0.5395629        
 15      6.3094060              0.1279342        
 16      2.9045340              0.0019020        
 17      1.2875560              0.0018952        
 18      0.1677320              0.0002892        
S   18
  1 7447966.8000000             0.0000224        
  2 1115318.2000000             0.0000634        
  3 253842.6500000              0.0001696        
  4  71915.2850000              0.0004212        
  5  23470.1810000              0.0010425        
  6   8477.4918000              0.0025978        
  7   3308.3908000              0.0065314        
  8   1372.6054000              0.0158480        
  9    598.2200700              0.0353532        
 10    271.3860200              0.0657738        
 11    126.9779500              0.0840395        
 12     60.2220650              0.0009567        
 13     28.0185820             -0.2872865        
 14     13.5175220             -0.4905444        
 15      6.3094060              0.0442811        
 16      2.9045340              0.7311889        
 17      1.2875560              0.4540673        
 18      0.1677320             -0.0079970        
S   18
  1 7447966.8000000            -0.0000058        
  2 1115318.2000000            -0.0000164        
  3 253842.6500000             -0.0000437        
  4  71915.2850000             -0.0001087        
  5  23470.1810000             -0.0002689        
  6   8477.4918000             -0.0006707        
  7   3308.3908000             -0.0016844        
  8   1372.6054000             -0.0040999        
  9    598.2200700             -0.0091328        
 10    271.3860200             -0.0171394        
 11    126.9779500             -0.0218565        
 12     60.2220650             -0.0005639        
 13     28.0185820              0.0798817        
 14     13.5175220              0.1411329        
 15      6.3094060             -0.0165838        
 16      2.9045340             -0.2856200        
 17      1.2875560             -0.3225600        
 18      0.1677320              0.6018451        
S   1
  1      0.3365520              1.0000000        
S   1
  1      0.0710690              1.0000000        
S   1
  1      0.0273700              1.0000000        
P   11
  1   6979.5982000              0.0009045        
  2   1654.1648000              0.0050290        
  3    536.0286500              0.0237671        
  4    203.5371300              0.0858706        
  5     85.2375300              0.2264530        
  6     37.8419620              0.3905711        
  7     17.4065120              0.3511618        
  8      7.8814920              0.1041795        
  9      3.5332130              0.0035988        
 10      1.5214730              0.0018474        
 11      0.1990930              0.0001817        
P   11
  1   6979.5982000             -0.0003498        
  2   1654.1648000             -0.0019583        
  3    536.0286500             -0.0093328        
  4    203.5371300             -0.0346945        
  5     85.2375300             -0.0952765        
  6     37.8419620             -0.1759310        
  7     17.4065120             -0.1421821        
  8      7.8814920              0.1934415        
  9      3.5332130              0.5274765        
 10      1.5214730              0.3907285        
 11      0.1990930             -0.0030657        
P   11
  1   6979.5982000              0.0000691        
  2   1654.1648000              0.0003855        
  3    536.0286500              0.0018477        
  4    203.5371300              0.0068529        
  5     85.2375300              0.0190290        
  6     37.8419620              0.0350960        
  7     17.4065120              0.0284902        
  8      7.8814920             -0.0487535        
  9      3.5332130             -0.1254442        
 10      1.5214730             -0.1183218        
 11      0.1990930              0.5732381        
P   1
  1      0.5627040              1.0000000        
P   1
  1      0.0670310              1.0000000        
P   1
  1      0.0213680              1.0000000        
D   7
  1    282.2391100              0.0019567        
  2     84.5499570              0.0153772        
  3     32.0736560              0.0660168        
  4     13.4974950              0.1829713        
  5      5.9585500              0.3214080        
  6      2.6107880              0.3717620        
  7      1.1039870              0.2779650        
D   1
  1      0.4240490              1.0000000        
D   1
  1      0.1520000              1.0000000        
D   1
  1      0.0528000              1.0000000        
F   1
  1      0.3458000              1.0000000        
F   1
  1      0.1323000              1.0000000        


name: aug-cc-pVTZ-DK
description: VTZ2P All-electron Douglas-Kroll Valence Triple Zeta + Polarization
elt: As
data:
ARSENIC
S   18
  1 8482339.6000000             0.0001814        
  2 1270150.9000000             0.0005093        
  3 289056.9600000              0.0013499        
  4  81879.8490000              0.0033092        
  5  26716.5640000              0.0080346        
  6   9647.5842000              0.0195352        
  7   3764.1195000              0.0473155        
  8   1561.5656000              0.1088432        
  9    680.8146700              0.2182405        
 10    309.2411900              0.3332698        
 11    145.2573600              0.3043071        
 12     69.7390480              0.1117021        
 13     31.7703250              0.0074635        
 14     15.3917570              0.0003041        
 15      7.3415260             -0.0001422        
 16      3.3237160              0.0000195        
 17      1.4858670             -0.0000332        
 18      0.2115000             -0.0000085        
S   18
  1 8482339.6000000            -0.0000580        
  2 1270150.9000000            -0.0001631        
  3 289056.9600000             -0.0004333        
  4  81879.8490000             -0.0010653        
  5  26716.5640000             -0.0026056        
  6   9647.5842000             -0.0063963        
  7   3764.1195000             -0.0158830        
  8   1561.5656000             -0.0380819        
  9    680.8146700             -0.0843060        
 10    309.2411900             -0.1543663        
 11    145.2573600             -0.1981132        
 12     69.7390480             -0.0337610        
 13     31.7703250              0.4376385        
 14     15.3917570              0.5586616        
 15      7.3415260              0.1557008        
 16      3.3237160              0.0050104        
 17      1.4858670              0.0016803        
 18      0.2115000              0.0002287        
S   18
  1 8482339.6000000             0.0000227        
  2 1270150.9000000             0.0000638        
  3 289056.9600000              0.0001694        
  4  81879.8490000              0.0004166        
  5  26716.5640000              0.0010201        
  6   9647.5842000              0.0025068        
  7   3764.1195000              0.0062465        
  8   1561.5656000              0.0150513        
  9    680.8146700              0.0337751        
 10    309.2411900              0.0633668        
 11    145.2573600              0.0855997        
 12     69.7390480              0.0145510        
 13     31.7703250             -0.2621609        
 14     15.3917570             -0.5018263        
 15      7.3415260             -0.0199556        
 16      3.3237160              0.7227635        
 17      1.4858670              0.4940981        
 18      0.2115000             -0.0087975        
S   18
  1 8482339.6000000            -0.0000063        
  2 1270150.9000000            -0.0000176        
  3 289056.9600000             -0.0000469        
  4  81879.8490000             -0.0001153        
  5  26716.5640000             -0.0002822        
  6   9647.5842000             -0.0006943        
  7   3764.1195000             -0.0017284        
  8   1561.5656000             -0.0041768        
  9    680.8146700             -0.0093622        
 10    309.2411900             -0.0177065        
 11    145.2573600             -0.0239034        
 12     69.7390480             -0.0044050        
 13     31.7703250              0.0780718        
 14     15.3917570              0.1552442        
 15      7.3415260              0.0042661        
 16      3.3237160             -0.3025579        
 17      1.4858670             -0.3691550        
 18      0.2115000              0.6330380        
S   1
  1      0.4210860              1.0000000        
S   1
  1      0.0889740              1.0000000        
S   1
  1      0.0334070              1.0000000        
P   11
  1   7423.8614000              0.0009384        
  2   1759.5166000              0.0051335        
  3    570.2291600              0.0241004        
  4    216.5799700              0.0867645        
  5     90.7342520              0.2282785        
  6     40.3087910              0.3920317        
  7     18.5555020              0.3489380        
  8      8.3965430              0.1018376        
  9      3.7673670              0.0032734        
 10      1.6297010              0.0017729        
 11      0.2225030              0.0002170        
P   11
  1   7423.8614000             -0.0003685        
  2   1759.5166000             -0.0020300        
  3    570.2291600             -0.0096103        
  4    216.5799700             -0.0356190        
  5     90.7342520             -0.0976159        
  6     40.3087910             -0.1797007        
  7     18.5555020             -0.1414878        
  8      8.3965430              0.2043706        
  9      3.7673670              0.5378050        
 10      1.6297010              0.3787516        
 11      0.2225030             -0.0050337        
P   11
  1   7423.8614000              0.0000819        
  2   1759.5166000              0.0004522        
  3    570.2291600              0.0021404        
  4    216.5799700              0.0079708        
  5     90.7342520              0.0219110        
  6     40.3087910              0.0408193        
  7     18.5555020              0.0311087        
  8      8.3965430             -0.0566984        
  9      3.7673670             -0.1517685        
 10      1.6297010             -0.1209054        
 11      0.2225030              0.5825264        
P   1
  1      0.5682630              1.0000000        
P   1
  1      0.0804050              1.0000000        
P   1
  1      0.0267990              1.0000000        
D   7
  1    321.0196100              0.0018205        
  2     96.2493050              0.0144200        
  3     36.6449630              0.0628910        
  4     15.4939650              0.1776357        
  5      6.8911380              0.3195802        
  6      3.0548310              0.3760963        
  7      1.3142410              0.2777705        
D   1
  1      0.5134300              1.0000000        
D   1
  1      0.1877000              1.0000000        
D   1
  1      0.0700000              1.0000000        
F   1
  1      0.4158000              1.0000000        
F   1
  1      0.1690000              1.0000000        


name: aug-cc-pVTZ-DK
description: VTZ2P All-electron Douglas-Kroll Valence Triple Zeta + Polarization
elt: Se
data:
SELENIUM
S   18
  1 9563600.0000000             0.0001815        
  2 1432100.0000000             0.0005072        
  3 325910.0000000              0.0013364        
  4  92312.0000000              0.0032489        
  5  30116.0000000              0.0078065        
  6  10872.0000000              0.0187662        
  7   4240.1000000              0.0450378        
  8   1758.4000000              0.1033311        
  9    766.5900000              0.2086431        
 10    348.4300000              0.3256504        
 11    164.0300000              0.3122347        
 12     79.1420000              0.1276132        
 13     35.5240000              0.0108689        
 14     17.3050000             -0.0003179        
 15      8.3784000              0.0001515        
 16      3.7405000             -0.0001126        
 17      1.6890000              0.0000193        
 18      0.2552000              0.0000078        
S   18
  1 9563600.0000000            -0.0000583        
  2 1432100.0000000            -0.0001632        
  3 325910.0000000             -0.0004309        
  4  92312.0000000             -0.0010506        
  5  30116.0000000             -0.0025433        
  6  10872.0000000             -0.0061693        
  7   4240.1000000             -0.0151746        
  8   1758.4000000             -0.0361885        
  9    766.5900000             -0.0803593        
 10    348.4300000             -0.1486631        
 11    164.0300000             -0.1986525        
 12     79.1420000             -0.0561847        
 13     35.5240000              0.4068012        
 14     17.3050000              0.5698914        
 15      8.3784000              0.1812122        
 16      3.7405000              0.0082158        
 17      1.6890000              0.0013742        
 18      0.2552000              0.0001505        
S   18
  1 9563600.0000000             0.0000230        
  2 1432100.0000000             0.0000644        
  3 325910.0000000              0.0001702        
  4  92312.0000000              0.0004151        
  5  30116.0000000              0.0010061        
  6  10872.0000000              0.0024421        
  7   4240.1000000              0.0060313        
  8   1758.4000000              0.0144378        
  9    766.5900000              0.0325228        
 10    348.4300000              0.0614561        
 11    164.0300000              0.0865575        
 12     79.1420000              0.0248076        
 13     35.5240000             -0.2417734        
 14     17.3050000             -0.5071051        
 15      8.3784000             -0.0705122        
 16      3.7405000              0.7124484        
 17      1.6890000              0.5243640        
 18      0.2552000             -0.0090846        
S   18
  1 9563600.0000000            -0.0000068        
  2 1432100.0000000            -0.0000189        
  3 325910.0000000             -0.0000500        
  4  92312.0000000             -0.0001218        
  5  30116.0000000             -0.0002952        
  6  10872.0000000             -0.0007173        
  7   4240.1000000             -0.0017698        
  8   1758.4000000             -0.0042488        
  9    766.5900000             -0.0095602        
 10    348.4300000             -0.0182088        
 11    164.0300000             -0.0256376        
 12     79.1420000             -0.0077371        
 13     35.5240000              0.0763568        
 14     17.3050000              0.1665265        
 15      8.3784000              0.0231891        
 16      3.7405000             -0.3177954        
 17      1.6890000             -0.4107046        
 18      0.2552000              0.6587538        
S   1
  1      0.5092700              1.0000000        
S   1
  1      0.1065100              1.0000000        
S   1
  1      0.0392010              1.0000000        
P   11
  1   8004.3000000              0.0009538        
  2   1896.9000000              0.0051209        
  3    614.7100000              0.0238842        
  4    233.5000000              0.0858778        
  5     97.8560000              0.2265220        
  6     43.5140000              0.3907699        
  7     20.0630000              0.3503244        
  8      9.1127000              0.1040171        
  9      4.1063000              0.0035839        
 10      1.7949000              0.0017229        
 11      0.2461500              0.0002075        
P   11
  1   8004.3000000             -0.0003800        
  2   1896.9000000             -0.0020543        
  3    614.7100000             -0.0096649        
  4    233.5000000             -0.0357646        
  5     97.8560000             -0.0983211        
  6     43.5140000             -0.1817616        
  7     20.0630000             -0.1446877        
  8      9.1127000              0.2032703        
  9      4.1063000              0.5420519        
 10      1.7949000              0.3761997        
 11      0.2461500             -0.0046557        
P   11
  1   8004.3000000              0.0000916        
  2   1896.9000000              0.0004972        
  3    614.7100000              0.0023319        
  4    233.5000000              0.0087023        
  5     97.8560000              0.0239008        
  6     43.5140000              0.0450259        
  7     20.0630000              0.0340628        
  8      9.1127000             -0.0608309        
  9      4.1063000             -0.1715980        
 10      1.7949000             -0.1243598        
 11      0.2461500              0.5743533        
P   1
  1      0.6243200              1.0000000        
P   1
  1      0.0889170              1.0000000        
P   1
  1      0.0302510              1.0000000        
D   7
  1    361.8500000              0.0017093        
  2    108.5500000              0.0136245        
  3     41.4330000              0.0603085        
  4     17.5790000              0.1732739        
  5      7.8627000              0.3182194        
  6      3.5180000              0.3798824        
  7      1.5348000              0.2773016        
D   1
  1      0.6081300              1.0000000        
D   1
  1      0.2220000              1.0000000        
D   1
  1      0.0837000              1.0000000        
F   1
  1      0.4620000              1.0000000        
F   1
  1      0.1880000              1.0000000        


name: aug-cc-pVTZ-DK
description: VTZ2P All-electron Douglas-Kroll Valence Triple Zeta + Polarization
elt: Br
data:
BROMINE
S   18
  1 10639000.0000000            0.0001832        
  2 1593400.0000000             0.0005094        
  3 362610.0000000              0.0013353        
  4 102700.0000000              0.0032222        
  5  33501.0000000              0.0076707        
  6  12093.0000000              0.0182439        
  7   4715.9000000              0.0433826        
  8   1955.6000000              0.0991426        
  9    852.6100000              0.2010706        
 10    387.6700000              0.3191212        
 11    182.6800000              0.3179374        
 12     88.2450000              0.1406661        
 13     39.2630000              0.0138611        
 14     19.2340000             -0.0008414        
 15      9.4057000              0.0003982        
 16      4.1601000             -0.0002226        
 17      1.8995000              0.0000678        
 18      0.3011400              0.0000221        
S   18
  1 10639000.0000000           -0.0000591        
  2 1593400.0000000            -0.0001646        
  3 362610.0000000             -0.0004325        
  4 102700.0000000             -0.0010466        
  5  33501.0000000             -0.0025103        
  6  12093.0000000             -0.0060229        
  7   4715.9000000             -0.0146734        
  8   1955.6000000             -0.0347901        
  9    852.6100000             -0.0773387        
 10    387.6700000             -0.1442475        
 11    182.6800000             -0.1985461        
 12     88.2450000             -0.0726261        
 13     39.2630000              0.3809663        
 14     19.2340000              0.5761470        
 15      9.4057000              0.2033629        
 16      4.1601000              0.0112299        
 17      1.8995000              0.0010430        
 18      0.3011400              0.0000729        
S   18
  1 10639000.0000000            0.0000236        
  2 1593400.0000000             0.0000657        
  3 362610.0000000              0.0001726        
  4 102700.0000000              0.0004176        
  5  33501.0000000              0.0010031        
  6  12093.0000000              0.0024075        
  7   4715.9000000              0.0058916        
  8   1955.6000000              0.0140102        
  9    852.6100000              0.0316098        
 10    387.6700000              0.0600877        
 11    182.6800000              0.0872309        
 12     88.2450000              0.0324842        
 13     39.2630000             -0.2258144        
 14     19.2340000             -0.5093521        
 15      9.4057000             -0.1106266        
 16      4.1601000              0.7018218        
 17      1.8995000              0.5477988        
 18      0.3011400             -0.0089968        
S   18
  1 10639000.0000000           -0.0000072        
  2 1593400.0000000            -0.0000202        
  3 362610.0000000             -0.0000530        
  4 102700.0000000             -0.0001284        
  5  33501.0000000             -0.0003083        
  6  12093.0000000             -0.0007407        
  7   4715.9000000             -0.0018109        
  8   1955.6000000             -0.0043190        
  9    852.6100000             -0.0097329        
 10    387.6700000             -0.0186483        
 11    182.6800000             -0.0270679        
 12     88.2450000             -0.0105140        
 13     39.2630000              0.0747565        
 14     19.2340000              0.1753422        
 15      9.4057000              0.0399153        
 16      4.1601000             -0.3301097        
 17      1.8995000             -0.4463003        
 18      0.3011400              0.6810696        
S   1
  1      0.6047200              1.0000000        
S   1
  1      0.1251500              1.0000000        
S   1
  1      0.0455930              1.0000000        
P   11
  1   8676.5000000              0.0009606        
  2   2055.9000000              0.0050551        
  3    666.2300000              0.0234154        
  4    253.1000000              0.0841414        
  5    106.1200000              0.2229616        
  6     47.2420000              0.3880657        
  7     21.8250000              0.3534548        
  8      9.9684000              0.1085321        
  9      4.5171000              0.0042339        
 10      1.9982000              0.0016954        
 11      0.2814500              0.0001980        
P   11
  1   8676.5000000             -0.0003881        
  2   2055.9000000             -0.0020557        
  3    666.2300000             -0.0096085        
  4    253.1000000             -0.0355099        
  5    106.1200000             -0.0981287        
  6     47.2420000             -0.1828576        
  7     21.8250000             -0.1498313        
  8      9.9684000              0.1959655        
  9      4.5171000              0.5433698        
 10      1.9982000              0.3792448        
 11      0.2814500             -0.0040330        
P   11
  1   8676.5000000              0.0001001        
  2   2055.9000000              0.0005330        
  3    666.2300000              0.0024808        
  4    253.1000000              0.0092595        
  5    106.1200000              0.0255286        
  6     47.2420000              0.0486125        
  7     21.8250000              0.0376864        
  8      9.9684000             -0.0631036        
  9      4.5171000             -0.1878988        
 10      1.9982000             -0.1319307        
 11      0.2814500              0.5723946        
P   1
  1      0.7098800              1.0000000        
P   1
  1      0.1020400              1.0000000        
P   1
  1      0.0351420              1.0000000        
D   7
  1    403.8300000              0.0016248        
  2    121.1700000              0.0130068        
  3     46.3450000              0.0582881        
  4     19.7210000              0.1698577        
  5      8.8624000              0.3172628        
  6      3.9962000              0.3831152        
  7      1.7636000              0.2764135        
D   1
  1      0.7061900              1.0000000        
D   1
  1      0.2639000              1.0000000        
D   1
  1      0.1047000              1.0000000        
F   1
  1      0.5515000              1.0000000        
F   1
  1      0.2580000              1.0000000        


name: aug-cc-pVTZ-DK
description: VTZ2P All-electron Douglas-Kroll Valence Triple Zeta + Polarization
elt: Kr
data:
KRYPTON
S   18
  1 11718113.0000000            0.0001859        
  2 1754604.4000000             0.0005150        
  3 399281.3200000              0.0013432        
  4 113084.5700000              0.0032195        
  5  36885.9250000              0.0076009        
  6  13312.2090000              0.0179060        
  7   5189.9883000              0.0422150        
  8   2151.6597000              0.0960349        
  9    938.0325100              0.1952297        
 10    426.5573200              0.3137292        
 11    201.0666000              0.3219435        
 12     97.0976050              0.1510730        
 13     42.9987240              0.0164237        
 14     21.1770750             -0.0012597        
 15     10.4267520              0.0005951        
 16      4.5850080             -0.0003119        
 17      2.1176030              0.0001107        
 18      0.3492250              0.0000336        
S   18
  1 11718113.0000000           -0.0000603        
  2 1754604.4000000            -0.0001671        
  3 399281.3200000             -0.0004370        
  4 113084.5700000             -0.0010504        
  5  36885.9250000             -0.0024984        
  6  13312.2090000             -0.0059366        
  7   5189.9883000             -0.0143354        
  8   2151.6597000             -0.0337901        
  9    938.0325100             -0.0750934        
 10    426.5573200             -0.1409097        
 11    201.0666000             -0.1981955        
 12     97.0976050             -0.0847245        
 13     42.9987240              0.3597104        
 14     21.1770750              0.5793500        
 15     10.4267520              0.2222311        
 16      4.5850080              0.0139542        
 17      2.1176030              0.0007200        
 18      0.3492250             -0.0000005        
S   18
  1 11718113.0000000            0.0000243        
  2 1754604.4000000             0.0000673        
  3 399281.3200000              0.0001760        
  4 113084.5700000              0.0004231        
  5  36885.9250000              0.0010080        
  6  13312.2090000              0.0023954        
  7   5189.9883000              0.0058120        
  8   2151.6597000              0.0137326        
  9    938.0325100              0.0309845        
 10    426.5573200              0.0591639        
 11    201.0666000              0.0877957        
 12     97.0976050              0.0382821        
 13     42.9987240             -0.2133820        
 14     21.1770750             -0.5102973        
 15     10.4267520             -0.1428905        
 16      4.5850080              0.6921799        
 17      2.1176030              0.5659483        
 18      0.3492250             -0.0086285        
S   18
  1 11718113.0000000           -0.0000077        
  2 1754604.4000000            -0.0000215        
  3 399281.3200000             -0.0000562        
  4 113084.5700000             -0.0001351        
  5  36885.9250000             -0.0003218        
  6  13312.2090000             -0.0007656        
  7   5189.9883000             -0.0018555        
  8   2151.6597000             -0.0043974        
  9    938.0325100             -0.0099092        
 10    426.5573200             -0.0190727        
 11    201.0666000             -0.0283000        
 12     97.0976050             -0.0128172        
 13     42.9987240              0.0734597        
 14     21.1770750              0.1825952        
 15     10.4267520              0.0546434        
 16      4.5850080             -0.3407758        
 17      2.1176030             -0.4771108        
 18      0.3492250              0.7003463        
S   1
  1      0.7070570              1.0000000        
S   1
  1      0.1448210              1.0000000        
S   1
  1      0.0519850              1.0000000        
P   11
  1   9366.3090000              0.0009707        
  2   2219.5543000              0.0050077        
  3    719.4528800              0.0230161        
  4    273.4644600              0.0825571        
  5    114.7522500              0.2195384        
  6     51.1555690              0.3852410        
  7     23.6826760              0.3563222        
  8     10.8754840              0.1130359        
  9      4.9551310              0.0049219        
 10      2.2172670              0.0016631        
 11      0.3221540              0.0002046        
P   11
  1   9366.3090000             -0.0003975        
  2   2219.5543000             -0.0020639        
  3    719.4528800             -0.0095757        
  4    273.4644600             -0.0353013        
  5    114.7522500             -0.0979503        
  6     51.1555690             -0.1838610        
  7     23.6826760             -0.1548402        
  8     10.8754840              0.1887147        
  9      4.9551310              0.5445253        
 10      2.2172670              0.3826523        
 11      0.3221540             -0.0044428        
P   11
  1   9366.3090000              0.0001077        
  2   2219.5543000              0.0005622        
  3    719.4528800              0.0025964        
  4    273.4644600              0.0096746        
  5    114.7522500              0.0267680        
  6     51.1555690              0.0514269        
  7     23.6826760              0.0409347        
  8     10.8754840             -0.0644315        
  9      4.9551310             -0.2011754        
 10      2.2172670             -0.1390848        
 11      0.3221540              0.5725139        
P   1
  1      0.8064100              1.0000000        
P   1
  1      0.1176190              1.0000000        
P   1
  1      0.0400330              1.0000000        
D   7
  1    446.1613300              0.0015646        
  2    133.9647700              0.0125414        
  3     51.3459070              0.0567199        
  4     21.9169060              0.1670903        
  5      9.8937250              0.3164218        
  6      4.4925270              0.3858120        
  7      2.0022930              0.2753781        
D   1
  1      0.8084090              1.0000000        
D   1
  1      0.3006000              1.0000000        
D   1
  1      0.1257000              1.0000000        
F   1
  1      0.6622000              1.0000000        
F   1
  1      0.3280000              1.0000000        


name: aug-cc-pVTZ-DK
description: VTZ2P All-electron Douglas-Kroll Valence Triple Zeta + Polarization
elt: Y
data:
YTTRIUM
S   25
  1 125652000.0000000           0.0000380        
  2 20133700.0000000            0.0000990        
  3 4277710.0000000             0.0002750        
  4 1129920.0000000             0.0006340        
  5 351974.0000000              0.0013810        
  6 123945.0000000              0.0028690        
  7  47739.9000000              0.0059230        
  8  19619.2000000              0.0123320        
  9   8450.3600000              0.0261600        
 10   3769.0200000              0.0556820        
 11   1727.9100000              0.1138630        
 12    811.0400000              0.2051020        
 13    389.1110000              0.2814370        
 14    190.7170000              0.2287340        
 15     95.4433000              0.0890280        
 16     48.6821000              0.0824400        
 17     25.2032000              0.1083430        
 18     13.1419000              0.0442950        
 19      6.8166900              0.0108440        
 20      3.4533900              0.0084610        
 21      1.6659100              0.0019320        
 22      0.7900420             -0.0000540        
 23      0.3582790              0.0000200        
 24      0.0954820             -0.0000120        
 25      0.0539170              0.0000090        
S   25
  1 125652000.0000000          -0.0000220        
  2 20133700.0000000           -0.0000570        
  3 4277710.0000000            -0.0001590        
  4 1129920.0000000            -0.0003680        
  5 351974.0000000             -0.0008030        
  6 123945.0000000             -0.0016720        
  7  47739.9000000             -0.0034650        
  8  19619.2000000             -0.0072570        
  9   8450.3600000             -0.0155630        
 10   3769.0200000             -0.0337490        
 11   1727.9100000             -0.0716650        
 12    811.0400000             -0.1390300        
 13    389.1110000             -0.2226090        
 14    190.7170000             -0.2338900        
 15     95.4433000             -0.0401650        
 16     48.6821000              0.3553160        
 17     25.2032000              0.5138360        
 18     13.1419000              0.2129770        
 19      6.8166900              0.0360490        
 20      3.4533900              0.0200810        
 21      1.6659100              0.0043340        
 22      0.7900420             -0.0001540        
 23      0.3582790              0.0000270        
 24      0.0954820             -0.0000270        
 25      0.0539170              0.0000190        
S   25
  1 125652000.0000000           0.0000060        
  2 20133700.0000000            0.0000150        
  3 4277710.0000000             0.0000420        
  4 1129920.0000000             0.0000970        
  5 351974.0000000              0.0002120        
  6 123945.0000000              0.0004420        
  7  47739.9000000              0.0009200        
  8  19619.2000000              0.0019340        
  9   8450.3600000              0.0041920        
 10   3769.0200000              0.0092110        
 11   1727.9100000              0.0201940        
 12    811.0400000              0.0412260        
 13    389.1110000              0.0731750        
 14    190.7170000              0.0874300        
 15     95.4433000              0.0099990        
 16     48.6821000             -0.2504440        
 17     25.2032000             -0.4946370        
 18     13.1419000             -0.2142400        
 19      6.8166900              0.4939470        
 20      3.4533900              0.6907770        
 21      1.6659100              0.1581590        
 22      0.7900420              0.0015260        
 23      0.3582790              0.0034050        
 24      0.0954820             -0.0004310        
 25      0.0539170              0.0003640        
S   25
  1 125652000.0000000          -0.0000020        
  2 20133700.0000000           -0.0000050        
  3 4277710.0000000            -0.0000150        
  4 1129920.0000000            -0.0000350        
  5 351974.0000000             -0.0000760        
  6 123945.0000000             -0.0001590        
  7  47739.9000000             -0.0003300        
  8  19619.2000000             -0.0006950        
  9   8450.3600000             -0.0015050        
 10   3769.0200000             -0.0033110        
 11   1727.9100000             -0.0072380        
 12    811.0400000             -0.0148080        
 13    389.1110000             -0.0261900        
 14    190.7170000             -0.0316290        
 15     95.4433000             -0.0034010        
 16     48.6821000              0.0946240        
 17     25.2032000              0.2044610        
 18     13.1419000              0.0856020        
 19      6.8166900             -0.2538650        
 20      3.4533900             -0.6127890        
 21      1.6659100             -0.1264940        
 22      0.7900420              0.7436770        
 23      0.3582790              0.5597720        
 24      0.0954820              0.0475750        
 25      0.0539170             -0.0190500        
S   25
  1 125652000.0000000           0.0000010        
  2 20133700.0000000            0.0000010        
  3 4277710.0000000             0.0000040        
  4 1129920.0000000             0.0000100        
  5 351974.0000000              0.0000210        
  6 123945.0000000              0.0000430        
  7  47739.9000000              0.0000900        
  8  19619.2000000              0.0001900        
  9   8450.3600000              0.0004100        
 10   3769.0200000              0.0009050        
 11   1727.9100000              0.0019740        
 12    811.0400000              0.0040530        
 13    389.1110000              0.0071420        
 14    190.7170000              0.0087000        
 15     95.4433000              0.0008310        
 16     48.6821000             -0.0258900        
 17     25.2032000             -0.0573760        
 18     13.1419000             -0.0230220        
 19      6.8166900              0.0712900        
 20      3.4533900              0.1938920        
 21      1.6659100              0.0312430        
 22      0.7900420             -0.2852390        
 23      0.3582790             -0.3947980        
 24      0.0954820              0.1501200        
 25      0.0539170              0.6757620        
S   25
  1 125652000.0000000           0.0000010        
  2 20133700.0000000            0.0000020        
  3 4277710.0000000             0.0000070        
  4 1129920.0000000             0.0000160        
  5 351974.0000000              0.0000350        
  6 123945.0000000              0.0000720        
  7  47739.9000000              0.0001520        
  8  19619.2000000              0.0003130        
  9   8450.3600000              0.0007010        
 10   3769.0200000              0.0014760        
 11   1727.9100000              0.0034120        
 12    811.0400000              0.0065110        
 13    389.1110000              0.0126710        
 14    190.7170000              0.0128480        
 15     95.4433000              0.0055480        
 16     48.6821000             -0.0530480        
 17     25.2032000             -0.0770720        
 18     13.1419000             -0.0781360        
 19      6.8166900              0.1960260        
 20      3.4533900              0.2199610        
 21      1.6659100              0.2714330        
 22      0.7900420             -1.0439730        
 23      0.3582790             -0.2222660        
 24      0.0954820              2.6686410        
 25      0.0539170             -1.3420860        
S   25
  1 125652000.0000000           0.0000010        
  2 20133700.0000000            0.0000040        
  3 4277710.0000000             0.0000100        
  4 1129920.0000000             0.0000230        
  5 351974.0000000              0.0000510        
  6 123945.0000000              0.0001040        
  7  47739.9000000              0.0002250        
  8  19619.2000000              0.0004420        
  9   8450.3600000              0.0010560        
 10   3769.0200000              0.0020350        
 11   1727.9100000              0.0052400        
 12    811.0400000              0.0087090        
 13    389.1110000              0.0202960        
 14    190.7170000              0.0140590        
 15     95.4433000              0.0191750        
 16     48.6821000             -0.1030150        
 17     25.2032000             -0.0627500        
 18     13.1419000             -0.2157100        
 19      6.8166900              0.4965000        
 20      3.4533900              0.0288990        
 21      1.6659100              0.9537960        
 22      0.7900420             -3.3467460        
 23      0.3582790              2.7612670        
 24      0.0954820              1.3724070        
 25      0.0539170             -3.9422120        
S   1
  1      0.0238090              1.0000000        
S   1
  1      0.0105000              1.0000000        
P   20
  1 899731.0000000              0.0000140        
  2 150037.0000000              0.0000530        
  3  34339.3000000              0.0002080        
  4   9996.3200000              0.0007750        
  5   3481.5200000              0.0028250        
  6   1382.5800000              0.0097320        
  7    603.4010000              0.0303590        
  8    281.5920000              0.0828300        
  9    137.7670000              0.1847570        
 10     69.6793000              0.3116770        
 11     36.0696000              0.3427930        
 12     18.9597000              0.1889650        
 13     10.0434000              0.0357120        
 14      5.3130700             -0.0051850        
 15      2.7721800             -0.0049220        
 16      1.4017300             -0.0008290        
 17      0.6837770              0.0000540        
 18      0.3265150              0.0000940        
 19      0.1331130              0.0000110        
 20      0.0565070              0.0000020        
P   20
  1 899731.0000000             -0.0000060        
  2 150037.0000000             -0.0000210        
  3  34339.3000000             -0.0000840        
  4   9996.3200000             -0.0003140        
  5   3481.5200000             -0.0011490        
  6   1382.5800000             -0.0039830        
  7    603.4010000             -0.0126000        
  8    281.5920000             -0.0352680        
  9    137.7670000             -0.0819870        
 10     69.6793000             -0.1459460        
 11     36.0696000             -0.1639830        
 12     18.9597000             -0.0007890        
 13     10.0434000              0.2968570        
 14      5.3130700              0.4753820        
 15      2.7721800              0.2970230        
 16      1.4017300              0.0496310        
 17      0.6837770             -0.0016450        
 18      0.3265150             -0.0031360        
 19      0.1331130             -0.0004470        
 20      0.0565070             -0.0000380        
P   20
  1 899731.0000000              0.0000020        
  2 150037.0000000              0.0000070        
  3  34339.3000000              0.0000280        
  4   9996.3200000              0.0001060        
  5   3481.5200000              0.0003890        
  6   1382.5800000              0.0013490        
  7    603.4010000              0.0042740        
  8    281.5920000              0.0119970        
  9    137.7670000              0.0280270        
 10     69.6793000              0.0502390        
 11     36.0696000              0.0566460        
 12     18.9597000             -0.0063640        
 13     10.0434000             -0.1256460        
 14      5.3130700             -0.2231580        
 15      2.7721800             -0.1444230        
 16      1.4017300              0.2396110        
 17      0.6837770              0.5197150        
 18      0.3265150              0.3711800        
 19      0.1331130              0.0688960        
 20      0.0565070             -0.0032160        
P   20
  1 899731.0000000             -0.0000010        
  2 150037.0000000             -0.0000020        
  3  34339.3000000             -0.0000070        
  4   9996.3200000             -0.0000280        
  5   3481.5200000             -0.0001020        
  6   1382.5800000             -0.0003530        
  7    603.4010000             -0.0011180        
  8    281.5920000             -0.0031360        
  9    137.7670000             -0.0073370        
 10     69.6793000             -0.0131460        
 11     36.0696000             -0.0148640        
 12     18.9597000              0.0018970        
 13     10.0434000              0.0333980        
 14      5.3130700              0.0606620        
 15      2.7721800              0.0379810        
 16      1.4017300             -0.0741550        
 17      0.6837770             -0.1789410        
 18      0.3265150             -0.1616030        
 19      0.1331130              0.1999360        
 20      0.0565070              0.6151410        
P   20
  1 899731.0000000             -0.0000010        
  2 150037.0000000             -0.0000040        
  3  34339.3000000             -0.0000170        
  4   9996.3200000             -0.0000620        
  5   3481.5200000             -0.0002350        
  6   1382.5800000             -0.0007770        
  7    603.4010000             -0.0025980        
  8    281.5920000             -0.0068700        
  9    137.7670000             -0.0172090        
 10     69.6793000             -0.0281710        
 11     36.0696000             -0.0376570        
 12     18.9597000              0.0126630        
 13     10.0434000              0.0591940        
 14      5.3130700              0.1749240        
 15      2.7721800              0.0307070        
 16      1.4017300             -0.0601690        
 17      0.6837770             -0.8888730        
 18      0.3265150              0.3769820        
 19      0.1331130              1.3851310        
 20      0.0565070             -0.9603310        
P   20
  1 899731.0000000             -0.0000010        
  2 150037.0000000             -0.0000050        
  3  34339.3000000             -0.0000200        
  4   9996.3200000             -0.0000700        
  5   3481.5200000             -0.0002780        
  6   1382.5800000             -0.0008700        
  7    603.4010000             -0.0031000        
  8    281.5920000             -0.0076420        
  9    137.7670000             -0.0207720        
 10     69.6793000             -0.0304950        
 11     36.0696000             -0.0490530        
 12     18.9597000              0.0273890        
 13     10.0434000              0.0512960        
 14      5.3130700              0.2533410        
 15      2.7721800             -0.0539630        
 16      1.4017300             -0.0228610        
 17      0.6837770             -1.5625650        
 18      0.3265150              2.3965880        
 19      0.1331130             -0.9263150        
 20      0.0565070             -0.9296140        
P   1
  1      0.0230720              1.0000000        
P   1
  1      0.0094000              1.0000000        
D   13
  1   1692.8100000              0.0001720        
  2    495.3540000              0.0015040        
  3    185.7570000              0.0088970        
  4     80.7331000              0.0349980        
  5     38.1052000              0.1020330        
  6     18.7825000              0.2187390        
  7      9.4512200              0.3241590        
  8      4.7787300              0.3330020        
  9      2.3834500              0.1976710        
 10      1.1262500              0.0473440        
 11      0.4918370              0.0020740        
 12      0.2031270              0.0003690        
 13      0.0806030             -0.0000910        
D   13
  1   1692.8100000             -0.0000310        
  2    495.3540000             -0.0002740        
  3    185.7570000             -0.0016290        
  4     80.7331000             -0.0064310        
  5     38.1052000             -0.0189300        
  6     18.7825000             -0.0407270        
  7      9.4512200             -0.0585640        
  8      4.7787300             -0.0555840        
  9      2.3834500              0.0031940        
 10      1.1262500              0.1495820        
 11      0.4918370              0.3059940        
 12      0.2031270              0.3834170        
 13      0.0806030              0.3322840        
D   13
  1   1692.8100000              0.0000350        
  2    495.3540000              0.0003060        
  3    185.7570000              0.0018110        
  4     80.7331000              0.0071820        
  5     38.1052000              0.0210830        
  6     18.7825000              0.0455820        
  7      9.4512200              0.0647290        
  8      4.7787300              0.0610630        
  9      2.3834500             -0.0122660        
 10      1.1262500             -0.1866690        
 11      0.4918370             -0.3892700        
 12      0.2031270             -0.2383360        
 13      0.0806030              0.4661860        
D   13
  1   1692.8100000             -0.0000420        
  2    495.3540000             -0.0003750        
  3    185.7570000             -0.0022030        
  4     80.7331000             -0.0088120        
  5     38.1052000             -0.0257040        
  6     18.7825000             -0.0560910        
  7      9.4512200             -0.0776040        
  8      4.7787300             -0.0719720        
  9      2.3834500              0.0271310        
 10      1.1262500              0.2803270        
 11      0.4918370              0.5362770        
 12      0.2031270             -0.5530610        
 13      0.0806030             -0.6755560        
D   1
  1      0.0303380              1.0000000        
D   1
  1      0.0114000              1.0000000        
F   1
  1      0.4785000              1.0000000        
F   1
  1      0.1232000              1.0000000        
F   1
  1      0.0363000              1.0000000        
G   1
  1      0.2762000              1.0000000        
G   1
  1      0.0792000              1.0000000        


