# all_value

name: aug-cc-pV5Z-PP-RI Diffuse
elt: Cu
description:
auxiliary basis sets for for second-order correlation methods using the resolution-of-the-identity approximation for electron repulsion integrals (RI-MP2, RI-CC2, RI-CIS(D), RI-ADC(2),...)

data:
COPPER
S   1
  1      0.23288900000E-01            1.0000000        
P   1
  1      0.29883500000E-01            1.0000000        
D   1
  1      0.55680900000E-01            1.0000000        
F   1
  1      0.94777800000E-01            1.0000000        
G   1
  1      0.15111300000          1.0000000        
H   1
  1      0.45598900000          1.0000000        
I   1
  1      0.78727000000          1.0000000        
K   1
  1      1.4574600000           1.0000000        
L   1
  1      3.3272300000           1.0000000        


name: aug-cc-pV5Z-PP-RI Diffuse
elt: Zn
description:
auxiliary basis sets for for second-order correlation methods using the resolution-of-the-identity approximation for electron repulsion integrals (RI-MP2, RI-CC2, RI-CIS(D), RI-ADC(2),...)

data:
ZINC
S   1
  1      0.30682000000E-01            1.0000000        
P   1
  1      0.34686500000E-01            1.0000000        
D   1
  1      0.65335500000E-01            1.0000000        
F   1
  1      0.11185700000          1.0000000        
G   1
  1      0.16568700000          1.0000000        
H   1
  1      0.56954500000          1.0000000        
I   1
  1      1.0587200000           1.0000000        
K   1
  1      1.7630300000           1.0000000        
L   1
  1      3.8049500000           1.0000000        


name: aug-cc-pV5Z-PP-RI Diffuse
elt: Ga
description:
auxiliary basis sets for for second-order correlation methods using the resolution-of-the-identity approximation for electron repulsion integrals (RI-MP2, RI-CC2, RI-CIS(D), RI-ADC(2),...)

data:
GALLIUM
S   1
  1      0.19445500000E-01            1.0000000        
P   1
  1      0.29313800000E-01            1.0000000        
D   1
  1      0.28636600000E-01            1.0000000        
F   1
  1      0.45814800000E-01            1.0000000        
G   1
  1      0.85083100000E-01            1.0000000        
H   1
  1      0.16564400000          1.0000000        
I   1
  1      0.34068000000          1.0000000        
K   1
  1      0.66934900000          1.0000000        


name: aug-cc-pV5Z-PP-RI Diffuse
elt: Ge
data:
GERMANIUM
S   1
  1      0.36706500000E-01            1.0000000        
P   1
  1      0.44517400000E-01            1.0000000        
D   1
  1      0.49750400000E-01            1.0000000        
F   1
  1      0.69832400000E-01            1.0000000        
G   1
  1      0.11773300000          1.0000000        
H   1
  1      0.21911700000          1.0000000        
I   1
  1      0.36522300000          1.0000000        
K   1
  1      0.77206900000          1.0000000        


name: aug-cc-pV5Z-PP-RI Diffuse
elt: As
data:
ARSENIC
S   1
  1      0.30103600000E-01            1.0000000        
P   1
  1      0.60264800000E-01            1.0000000        
D   1
  1      0.43150400000E-01            1.0000000        
F   1
  1      0.77448100000E-01            1.0000000        
G   1
  1      0.13613700000          1.0000000        
H   1
  1      0.24769700000          1.0000000        
I   1
  1      0.43458100000          1.0000000        
K   1
  1      0.96450900000          1.0000000        


name: aug-cc-pV5Z-PP-RI Diffuse
elt: Se
data:
SELENIUM
S   1
  1      0.39164700000E-01            1.0000000        
P   1
  1      0.69091100000E-01            1.0000000        
D   1
  1      0.54165500000E-01            1.0000000        
F   1
  1      0.99353700000E-01            1.0000000        
G   1
  1      0.16484800000          1.0000000        
H   1
  1      0.27598900000          1.0000000        
I   1
  1      0.50063700000          1.0000000        
K   1
  1      1.1828500000           1.0000000        


name: aug-cc-pV5Z-PP-RI Diffuse
elt: Br
data:
BROMINE
S   1
  1      0.54692000000E-01            1.0000000        
P   1
  1      0.78892300000E-01            1.0000000        
D   1
  1      0.78485900000E-01            1.0000000        
F   1
  1      0.12556700000          1.0000000        
G   1
  1      0.22090200000          1.0000000        
H   1
  1      0.32872100000          1.0000000        
I   1
  1      0.60235900000          1.0000000        
K   1
  1      1.2655000000           1.0000000        


name: aug-cc-pV5Z-PP-RI Diffuse
elt: Kr
data:
KRYPTON
S   1
  1      0.82845400000E-01            1.0000000        
P   1
  1      0.77345900000E-01            1.0000000        
D   1
  1      0.10346600000          1.0000000        
F   1
  1      0.17473900000          1.0000000        
G   1
  1      0.28967100000          1.0000000        
H   1
  1      0.40389800000          1.0000000        
I   1
  1      0.73975400000          1.0000000        
K   1
  1      1.4244300000           1.0000000        


name: aug-cc-pV5Z-PP-RI Diffuse
elt: Ag
data:
SILVER
S   1
  1      0.14118400000E-01            1.0000000        
P   1
  1      0.17634300000E-01            1.0000000        
D   1
  1      0.30937500000E-01            1.0000000        
F   1
  1      0.54930500000E-01            1.0000000        
G   1
  1      0.86288100000E-01            1.0000000        
H   1
  1      0.34596600000          1.0000000        
I   1
  1      0.46888000000          1.0000000        
K   1
  1      0.80076200000          1.0000000        
L   1
  1      1.7456200000           1.0000000        


name: aug-cc-pV5Z-PP-RI Diffuse
elt: Cd
data:
CADMIUM
S   1
  1      0.16303700000E-01            1.0000000        
P   1
  1      0.17727900000E-01            1.0000000        
D   1
  1      0.34861700000E-01            1.0000000        
F   1
  1      0.56494100000E-01            1.0000000        
G   1
  1      0.87927400000E-01            1.0000000        
H   1
  1      0.47212200000          1.0000000        
I   1
  1      0.55994000000          1.0000000        
K   1
  1      0.94234600000          1.0000000        
L   1
  1      2.0311400000           1.0000000        


name: aug-cc-pV5Z-PP-RI Diffuse
elt: In
data:
INDIUM
S   1
  1      0.18472600000E-01            1.0000000        
P   1
  1      0.26542000000E-01            1.0000000        
D   1
  1      0.26437800000E-01            1.0000000        
F   1
  1      0.41584100000E-01            1.0000000        
G   1
  1      0.82670600000E-01            1.0000000        
H   1
  1      0.14061500000          1.0000000        
I   1
  1      0.24316900000          1.0000000        
K   1
  1      0.66939000000          1.0000000        


name: aug-cc-pV5Z-PP-RI Diffuse
elt: Sn
data:
TIN
S   1
  1      0.34580900000E-01            1.0000000        
P   1
  1      0.42761500000E-01            1.0000000        
D   1
  1      0.46700900000E-01            1.0000000        
F   1
  1      0.59263400000E-01            1.0000000        
G   1
  1      0.10102200000          1.0000000        
H   1
  1      0.17821400000          1.0000000        
I   1
  1      0.29979300000          1.0000000        
K   1
  1      0.70949800000          1.0000000        


name: aug-cc-pV5Z-PP-RI Diffuse
elt: Sb
data:
ANTIMONY
S   1
  1      0.27385300000E-01            1.0000000        
P   1
  1      0.48860600000E-01            1.0000000        
D   1
  1      0.37842100000E-01            1.0000000        
F   1
  1      0.68137100000E-01            1.0000000        
G   1
  1      0.11066400000          1.0000000        
H   1
  1      0.19636100000          1.0000000        
I   1
  1      0.34438800000          1.0000000        
K   1
  1      0.88541300000          1.0000000        


name: aug-cc-pV5Z-PP-RI Diffuse
elt: Te
data:
TELLURIUM
S   1
  1      0.37484000000E-01            1.0000000        
P   1
  1      0.42586300000E-01            1.0000000        
D   1
  1      0.48653800000E-01            1.0000000        
F   1
  1      0.85978800000E-01            1.0000000        
G   1
  1      0.13087900000          1.0000000        
H   1
  1      0.21395200000          1.0000000        
I   1
  1      0.39186500000          1.0000000        
K   1
  1      1.0575800000           1.0000000        


name: aug-cc-pV5Z-PP-RI Diffuse
elt: I
data:
IODINE
S   1
  1      0.38196000000E-01            1.0000000        
P   1
  1      0.45463100000E-01            1.0000000        
D   1
  1      0.74055000000E-01            1.0000000        
F   1
  1      0.11867300000          1.0000000        
G   1
  1      0.17135300000          1.0000000        
H   1
  1      0.24624500000          1.0000000        
I   1
  1      0.46639400000          1.0000000        
K   1
  1      1.1294200000           1.0000000        


name: aug-cc-pV5Z-PP-RI Diffuse
elt: Xe
data:
XENON
S   1
  1      0.43757300000E-01            1.0000000        
P   1
  1      0.41422200000E-01            1.0000000        
D   1
  1      0.50414900000E-01            1.0000000        
F   1
  1      0.12023700000          1.0000000        
G   1
  1      0.22815600000          1.0000000        
H   1
  1      0.32461200000          1.0000000        
I   1
  1      0.60615500000          1.0000000        
K   1
  1      1.2090700000           1.0000000        


name: aug-cc-pV5Z-PP-RI Diffuse
elt: Au
data:
GOLD
S   1
  1      0.12004200000E-01            1.0000000        
P   1
  1      0.15001800000E-01            1.0000000        
D   1
  1      0.28563500000E-01            1.0000000        
F   1
  1      0.51776500000E-01            1.0000000        
G   1
  1      0.77576500000E-01            1.0000000        
H   1
  1      0.25870800000          1.0000000        
I   1
  1      0.41514900000          1.0000000        
K   1
  1      0.62057800000          1.0000000        
L   1
  1      1.3237400000           1.0000000        


name: aug-cc-pV5Z-PP-RI Diffuse
elt: Hg
data:
MERCURY
S   1
  1      0.15189900000E-01            1.0000000        
P   1
  1      0.17736300000E-01            1.0000000        
D   1
  1      0.35076900000E-01            1.0000000        
F   1
  1      0.60451500000E-01            1.0000000        
G   1
  1      0.95320000000E-01            1.0000000        
H   1
  1      0.34576000000          1.0000000        
I   1
  1      0.50002700000          1.0000000        
K   1
  1      0.70871500000          1.0000000        
L   1
  1      1.4963200000           1.0000000        


name: aug-cc-pV5Z-PP-RI Diffuse
elt: Tl
data:
THALLIUM
S   1
  1      0.16902000000E-01            1.0000000        
P   1
  1      0.27627800000E-01            1.0000000        
D   1
  1      0.23239800000E-01            1.0000000        
F   1
  1      0.40550700000E-01            1.0000000        
G   1
  1      0.70549800000E-01            1.0000000        
H   1
  1      0.14415400000          1.0000000        
I   1
  1      0.25683300000          1.0000000        
K   1
  1      0.63007400000          1.0000000        


name: aug-cc-pV5Z-PP-RI Diffuse
elt: Pb
data:
LEAD
S   1
  1      0.29138100000E-01            1.0000000        
P   1
  1      0.37508000000E-01            1.0000000        
D   1
  1      0.41693400000E-01            1.0000000        
F   1
  1      0.58506200000E-01            1.0000000        
G   1
  1      0.97185100000E-01            1.0000000        
H   1
  1      0.17269100000          1.0000000        
I   1
  1      0.30219700000          1.0000000        
K   1
  1      0.76673500000          1.0000000        


name: aug-cc-pV5Z-PP-RI Diffuse
elt: Bi
data:
BISMUTH
S   1
  1      0.24909500000E-01            1.0000000        
P   1
  1      0.51334800000E-01            1.0000000        
D   1
  1      0.35435400000E-01            1.0000000        
F   1
  1      0.59759000000E-01            1.0000000        
G   1
  1      0.10585500000          1.0000000        
H   1
  1      0.18824600000          1.0000000        
I   1
  1      0.33172100000          1.0000000        
K   1
  1      0.82990900000          1.0000000        


name: aug-cc-pV5Z-PP-RI Diffuse
elt: Po
data:
POLONIUM
S   1
  1      0.31459100000E-01            1.0000000        
P   1
  1      0.53659300000E-01            1.0000000        
D   1
  1      0.44041300000E-01            1.0000000        
F   1
  1      0.76329200000E-01            1.0000000        
G   1
  1      0.12576300000          1.0000000        
H   1
  1      0.20126400000          1.0000000        
I   1
  1      0.36429400000          1.0000000        
K   1
  1      0.90505100000          1.0000000        


name: aug-cc-pV5Z-PP-RI Diffuse
elt: At
data:
ASTATINE
S   1
  1      0.42262000000E-01            1.0000000        
P   1
  1      0.42755200000E-01            1.0000000        
D   1
  1      0.64212300000E-01            1.0000000        
F   1
  1      0.93051900000E-01            1.0000000        
G   1
  1      0.16451600000          1.0000000        
H   1
  1      0.23018300000          1.0000000        
I   1
  1      0.42570300000          1.0000000        
K   1
  1      0.99031200000          1.0000000        


name: aug-cc-pV5Z-PP-RI Diffuse
elt: Rn
data:
RADON
S   1
  1      0.50281400000E-01            1.0000000        
P   1
  1      0.43329900000E-01            1.0000000        
D   1
  1      0.70949900000E-01            1.0000000        
F   1
  1      0.12937500000          1.0000000        
G   1
  1      0.18762500000          1.0000000        
H   1
  1      0.27667400000          1.0000000        
I   1
  1      0.50906300000          1.0000000        
K   1
  1      1.0346600000           1.0000000        


name: aug-cc-pV5Z-PP-new
description: N/A
elt: I
data:
IODINE
S   11
  1      4.297660E+04           1.300000E-05     
  2      6.439010E+03           9.700000E-05     
  3      1.455780E+03           4.660000E-04     
  4      4.053610E+02           1.441000E-03     
  5      1.169800E+02           2.674000E-03     
  6      2.963260E+01          -5.812100E-02     
  7      1.851000E+01           3.457590E-01     
  8      1.156200E+01          -3.622720E-01     
  9      6.595070E+00          -6.346740E-01     
 10      4.053400E+00           2.236670E-01     
 11      2.140900E+00           7.832730E-01     
S   11
  1      4.297660E+04          -6.000000E-06     
  2      6.439010E+03          -4.700000E-05     
  3      1.455780E+03          -2.230000E-04     
  4      4.053610E+02          -7.120000E-04     
  5      1.169800E+02          -1.234000E-03     
  6      2.963260E+01           2.412100E-02     
  7      1.851000E+01          -1.556420E-01     
  8      1.156200E+01           1.885390E-01     
  9      6.595070E+00           2.742270E-01     
 10      4.053400E+00          -1.247080E-01     
 11      2.140900E+00          -4.731900E-01     
S   1
  1      1.181640E+00           1.0000000        
S   1
  1      6.003720E-01           1.0000000        
S   1
  1      3.199650E-01           1.0000000        
S   1
  1      1.587690E-01           1.0000000        
S   1
  1      7.545100E-02           1.0000000        
S   1
  1      3.050000E-02           1.0000000        
P   8
  1      5.696430E+02           1.150000E-04     
  2      1.314960E+02           7.170000E-04     
  3      3.238430E+01          -2.027000E-03     
  4      2.022540E+01           5.343600E-02     
  5      1.123810E+01          -1.922640E-01     
  6      6.627940E+00          -9.521500E-02     
  7      3.647800E+00           3.658080E-01     
  8      1.988530E+00           5.364310E-01     
P   8
  1      5.696430E+02          -4.300000E-05     
  2      1.314960E+02          -2.600000E-04     
  3      3.238430E+01           3.440000E-04     
  4      2.022540E+01          -1.823100E-02     
  5      1.123810E+01           7.401400E-02     
  6      6.627940E+00           2.201600E-02     
  7      3.647800E+00          -1.478730E-01     
  8      1.988530E+00          -2.411660E-01     
P   1
  1      1.063670E+00           1.0000000        
P   1
  1      5.243030E-01           1.0000000        
P   1
  1      2.553820E-01           1.0000000        
P   1
  1      1.197550E-01           1.0000000        
P   1
  1      5.419900E-02           1.0000000        
P   1
  1      2.310000E-02           1.0000000        
D   9
  1      5.788080E+02           2.600000E-05     
  2      1.758530E+02           2.340000E-04     
  3      6.882920E+01           1.177000E-03     
  4      2.873540E+01           5.462000E-03     
  5      1.231660E+01          -2.753000E-02     
  6      7.611430E+00           2.097600E-02     
  7      4.704520E+00           1.768420E-01     
  8      2.794650E+00           3.194790E-01     
  9      1.616440E+00           3.387310E-01     
D   1
  1      9.142110E-01           1.0000000        
D   1
  1      5.047300E-01           1.0000000        
D   1
  1      2.762800E-01           1.0000000        
D   1
  1      1.392000E-01           1.0000000        
D   1
  1      6.300000E-02           1.0000000        
F   1
  1      6.739000E-01           1.0000000        
F   1
  1      3.631000E-01           1.0000000        
F   1
  1      1.956000E-01           1.0000000        
F   1
  1      1.027000E-01           1.0000000        
G   1
  1      6.721000E-01           1.0000000        
G   1
  1      3.226000E-01           1.0000000        
G   1
  1      1.633000E-01           1.0000000        
H   1
  1      5.908000E-01           1.0000000        
H   1
  1      3.591000E-01           1.0000000        


name: aug-cc-pV5Z-PP_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pV5Z-PP orbital basis sets
elt: Cu
data:
COPPER
S   1
  1     16.1487700              1.0000000        
S   1
  1      9.7643270              1.0000000        
S   1
  1      5.8694000              1.0000000        
S   1
  1      3.6782000              1.0000000        
S   1
  1      2.0857240              1.0000000        
S   1
  1      0.4289630              1.0000000        
P   1
  1     24.8549400              1.0000000        
P   1
  1     16.5811800              1.0000000        
P   1
  1     11.0724000              1.0000000        
P   1
  1      7.3741310              1.0000000        
P   1
  1      4.1598000              1.0000000        
P   1
  1      2.7774340              1.0000000        
P   1
  1      1.1010040              1.0000000        
D   1
  1     22.3648300              1.0000000        
D   1
  1     14.7227600              1.0000000        
D   1
  1      9.4711000              1.0000000        
D   1
  1      5.9405000              1.0000000        
D   1
  1      2.3627430              1.0000000        
D   1
  1      0.9820490              1.0000000        
F   1
  1     42.4996600              1.0000000        
F   1
  1     19.1561100              1.0000000        
F   1
  1      6.8236650              1.0000000        
F   1
  1      2.2717830              1.0000000        
F   1
  1      0.8608240              1.0000000        
F   1
  1      0.2708530              1.0000000        
G   1
  1     19.7019600              1.0000000        
G   1
  1      5.0071500              1.0000000        
G   1
  1      2.0948670              1.0000000        
G   1
  1      0.6246360              1.0000000        
H   1
  1     15.3095900              1.0000000        
H   1
  1      3.7384230              1.0000000        
H   1
  1      0.5255650              1.0000000        
I   1
  1     23.1730000              1.0000000        
I   1
  1     10.2939000              1.0000000        
I   1
  1      3.4076850              1.0000000        
I   1
  1      0.9306450              1.0000000        


name: aug-cc-pV5Z-PP_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pV5Z-PP orbital basis sets
elt: Zn
data:
ZINC
S   1
  1     18.9142800              1.0000000        
S   1
  1      9.9509170              1.0000000        
S   1
  1      6.6391000              1.0000000        
S   1
  1      4.1605000              1.0000000        
S   1
  1      1.8868520              1.0000000        
S   1
  1      0.4577640              1.0000000        
P   1
  1     27.2220900              1.0000000        
P   1
  1     18.1883100              1.0000000        
P   1
  1     12.1658000              1.0000000        
P   1
  1      6.6280000              1.0000000        
P   1
  1      4.4104000              1.0000000        
P   1
  1      2.9431880              1.0000000        
P   1
  1      1.0702170              1.0000000        
D   1
  1     28.3044500              1.0000000        
D   1
  1     16.0328200              1.0000000        
D   1
  1     10.6203000              1.0000000        
D   1
  1      6.6621000              1.0000000        
D   1
  1      4.2237210              1.0000000        
D   1
  1      1.3101880              1.0000000        
F   1
  1     54.4625200              1.0000000        
F   1
  1     22.9402400              1.0000000        
F   1
  1      7.3229180              1.0000000        
F   1
  1      2.7662630              1.0000000        
F   1
  1      0.9536810              1.0000000        
F   1
  1      0.3132140              1.0000000        
G   1
  1     24.5217100              1.0000000        
G   1
  1      5.4736740              1.0000000        
G   1
  1      1.9178280              1.0000000        
G   1
  1      0.7395030              1.0000000        
H   1
  1     15.2528700              1.0000000        
H   1
  1      4.7332860              1.0000000        
H   1
  1      0.6394180              1.0000000        
I   1
  1     21.7245700              1.0000000        
I   1
  1     11.4367000              1.0000000        
I   1
  1      1.8697920              1.0000000        
I   1
  1      0.8913410              1.0000000        


name: aug-cc-pV5Z-PP_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pV5Z-PP orbital basis sets
elt: Ag
data:
SILVER
S   1
  1     13.6096900              1.0000000        
S   1
  1      9.0967070              1.0000000        
S   1
  1      6.0815890              1.0000000        
S   1
  1      1.6649000              1.0000000        
S   1
  1      1.0415000              1.0000000        
S   1
  1      0.6951880              1.0000000        
P   1
  1     35.2547600              1.0000000        
P   1
  1     21.2202500              1.0000000        
P   1
  1     12.8946500              1.0000000        
P   1
  1      5.7596980              1.0000000        
P   1
  1      3.8457000              1.0000000        
P   1
  1      2.4086000              1.0000000        
P   1
  1      0.5558870              1.0000000        
D   1
  1     13.8603700              1.0000000        
D   1
  1      9.2363270              1.0000000        
D   1
  1      5.3756000              1.0000000        
D   1
  1      3.6501580              1.0000000        
D   1
  1      2.4802000              1.0000000        
D   1
  1      1.5027120              1.0000000        
F   1
  1     21.7167500              1.0000000        
F   1
  1     10.6725200              1.0000000        
F   1
  1      3.9603920              1.0000000        
F   1
  1      1.6508060              1.0000000        
F   1
  1      0.6632440              1.0000000        
F   1
  1      0.2258910              1.0000000        
G   1
  1     12.8251900              1.0000000        
G   1
  1      5.1217420              1.0000000        
G   1
  1      2.2287890              1.0000000        
G   1
  1      0.9336430              1.0000000        
H   1
  1      4.2141130              1.0000000        
H   1
  1      1.6114710              1.0000000        
H   1
  1      0.7095630              1.0000000        
I   1
  1      9.4686340              1.0000000        
I   1
  1      6.3254710              1.0000000        
I   1
  1      4.2423000              1.0000000        
I   1
  1      0.6505270              1.0000000        


name: aug-cc-pV5Z-PP_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pV5Z-PP orbital basis sets
elt: Cd
data:
CADMIUM
S   1
  1     14.9066800              1.0000000        
S   1
  1      9.9389040              1.0000000        
S   1
  1      4.7655770              1.0000000        
S   1
  1      1.9234000              1.0000000        
S   1
  1      1.2027000              1.0000000        
S   1
  1      0.8029500              1.0000000        
P   1
  1     43.9605400              1.0000000        
P   1
  1     29.2192900              1.0000000        
P   1
  1     13.0975200              1.0000000        
P   1
  1      6.2369020              1.0000000        
P   1
  1      4.1667000              1.0000000        
P   1
  1      2.6094000              1.0000000        
P   1
  1      0.6705190              1.0000000        
D   1
  1     15.8772700              1.0000000        
D   1
  1     10.5901800              1.0000000        
D   1
  1      5.9557000              1.0000000        
D   1
  1      3.9887640              1.0000000        
D   1
  1      2.6750000              1.0000000        
D   1
  1      1.7333640              1.0000000        
F   1
  1     29.9981300              1.0000000        
F   1
  1     11.6811700              1.0000000        
F   1
  1      5.0357030              1.0000000        
F   1
  1      1.7731030              1.0000000        
F   1
  1      0.7519840              1.0000000        
F   1
  1      0.2519020              1.0000000        
G   1
  1     14.1060300              1.0000000        
G   1
  1      6.1318470              1.0000000        
G   1
  1      2.5194190              1.0000000        
G   1
  1      1.0508490              1.0000000        
H   1
  1      4.7507890              1.0000000        
H   1
  1      1.8222440              1.0000000        
H   1
  1      0.8128190              1.0000000        
I   1
  1     10.3795400              1.0000000        
I   1
  1      6.9316230              1.0000000        
I   1
  1      4.6428000              1.0000000        
I   1
  1      0.7566540              1.0000000        


name: aug-cc-pV5Z-PP_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pV5Z-PP orbital basis sets
elt: Au
data:
GOLD
S   1
  1     14.8066400              1.0000000        
S   1
  1      9.8550790              1.0000000        
S   1
  1      6.3156000              1.0000000        
S   1
  1      3.9472000              1.0000000        
S   1
  1      1.2248030              1.0000000        
S   1
  1      0.8161650              1.0000000        
P   1
  1     37.1911200              1.0000000        
P   1
  1     24.7546100              1.0000000        
P   1
  1     16.4824000              1.0000000        
P   1
  1      8.9713930              1.0000000        
P   1
  1      5.9859000              1.0000000        
P   1
  1      3.7451000              1.0000000        
P   1
  1      1.0628140              1.0000000        
D   1
  1     18.5226400              1.0000000        
D   1
  1     12.3594000              1.0000000        
D   1
  1      8.2557710              1.0000000        
D   1
  1      5.5185000              1.0000000        
D   1
  1      3.4524000              1.0000000        
D   1
  1      1.0465220              1.0000000        
F   1
  1     17.4878500              1.0000000        
F   1
  1     11.6290700              1.0000000        
F   1
  1      7.7427220              1.0000000        
F   1
  1      5.1670790              1.0000000        
F   1
  1      3.4507490              1.0000000        
F   1
  1      0.1824930              1.0000000        
G   1
  1     57.7815000              1.0000000        
G   1
  1      5.7190310              1.0000000        
G   1
  1      3.8163930              1.0000000        
G   1
  1      0.7552990              1.0000000        
H   1
  1      6.8651800              1.0000000        
H   1
  1      4.2425520              1.0000000        
H   1
  1      1.2159840              1.0000000        
I   1
  1      7.0811200              1.0000000        
I   1
  1      4.7311640              1.0000000        
I   1
  1      3.1727000              1.0000000        
I   1
  1      0.5503740              1.0000000        


name: aug-cc-pV5Z-PP_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pV5Z-PP orbital basis sets
elt: Hg
data:
MERCURY
S   1
  1     14.4226800              1.0000000        
S   1
  1      9.6425600              1.0000000        
S   1
  1      6.4519570              1.0000000        
S   1
  1      4.3033170              1.0000000        
S   1
  1      1.8256000              1.0000000        
S   1
  1      1.1414000              1.0000000        
P   1
  1     31.4829000              1.0000000        
P   1
  1     20.9713100              1.0000000        
P   1
  1     13.9783600              1.0000000        
P   1
  1      9.3106750              1.0000000        
P   1
  1      6.2027000              1.0000000        
P   1
  1      3.8825000              1.0000000        
P   1
  1      1.0466940              1.0000000        
D   1
  1     36.1835600              1.0000000        
D   1
  1      8.5504580              1.0000000        
D   1
  1      5.7033560              1.0000000        
D   1
  1      3.7983000              1.0000000        
D   1
  1      2.1417000              1.0000000        
D   1
  1      1.1206540              1.0000000        
F   1
  1     19.6282800              1.0000000        
F   1
  1     13.0604100              1.0000000        
F   1
  1      8.6979250              1.0000000        
F   1
  1      5.7980360              1.0000000        
F   1
  1      3.8692930              1.0000000        
F   1
  1      0.2065580              1.0000000        
G   1
  1     33.5988600              1.0000000        
G   1
  1      6.3319450              1.0000000        
G   1
  1      4.2381340              1.0000000        
G   1
  1      0.8455860              1.0000000        
H   1
  1      6.8749710              1.0000000        
H   1
  1      4.0961740              1.0000000        
H   1
  1      1.3804050              1.0000000        
I   1
  1      7.5381580              1.0000000        
I   1
  1      5.0346660              1.0000000        
I   1
  1      3.3725000              1.0000000        
I   1
  1      0.6201770              1.0000000        


name: aug-cc-pV5Z-RI diffuse
description: N/A
elt: H
data:
HYDROGEN
S   1
  1      0.1109110              1.0000000        
P   1
  1      0.1960670              1.0000000        
D   1
  1      0.2336010              1.0000000        
F   1
  1      0.2361550              1.0000000        
G   1
  1      0.7963200              1.0000000        
H   1
  1      1.0349800              1.0000000        


name: aug-cc-pV5Z-RI diffuse
description: N/A
elt: He
data:
HELIUM
S   1
  1      0.1809660              1.0000000        
P   1
  1      0.3372280              1.0000000        
D   1
  1      0.5473270              1.0000000        
F   1
  1      0.8601010              1.0000000        
G   1
  1      1.1894600              1.0000000        
H   1
  1      2.2244000              1.0000000        


name: aug-cc-pV5Z-RI diffuse
description: N/A
elt: B
data:
BORON
S   1
  1      0.0500000              1.0000000        
P   1
  1      0.0650000              1.0000000        
D   1
  1      0.0700000              1.0000000        
F   1
  1      0.0850000              1.0000000        
G   1
  1      0.1396790              1.0000000        
H   1
  1      0.2896520              1.0000000        
I   1
  1      0.5284480              1.0000000        


name: aug-cc-pV5Z-RI diffuse
description: N/A
elt: C
data:
CARBON
S   1
  1      0.0625447              1.0000000        
P   1
  1      0.0900000              1.0000000        
D   1
  1      0.0847893              1.0000000        
F   1
  1      0.1353510              1.0000000        
G   1
  1      0.2417170              1.0000000        
H   1
  1      0.4754360              1.0000000        
I   1
  1      0.8330670              1.0000000        


name: aug-cc-pV5Z-RI diffuse
description: N/A
elt: N
data:
NITROGEN
S   1
  1      0.0850000              1.0000000        
P   1
  1      0.1100000              1.0000000        
D   1
  1      0.1100000              1.0000000        
F   1
  1      0.2000000              1.0000000        
G   1
  1      0.3473910              1.0000000        
H   1
  1      0.6493390              1.0000000        
I   1
  1      1.1088600              1.0000000        


name: aug-cc-pV5Z-RI diffuse
description: N/A
elt: O
data:
OXYGEN
S   1
  1      0.0966305              1.0000000        
P   1
  1      0.1699760              1.0000000        
D   1
  1      0.1400000              1.0000000        
F   1
  1      0.2386920              1.0000000        
G   1
  1      0.4103430              1.0000000        
H   1
  1      0.7907810              1.0000000        
I   1
  1      1.3829200              1.0000000        


name: aug-cc-pV5Z-RI diffuse
description: N/A
elt: F
data:
FLUORINE
S   1
  1      0.1232440              1.0000000        
P   1
  1      0.2301060              1.0000000        
D   1
  1      0.1800000              1.0000000        
F   1
  1      0.3294220              1.0000000        
G   1
  1      0.5697670              1.0000000        
H   1
  1      1.0185500              1.0000000        
I   1
  1      1.8277000              1.0000000        


name: aug-cc-pV5Z-RI diffuse
description: N/A
elt: Ne
data:
NEON
S   1
  1      0.1800000              1.0000000        
P   1
  1      0.3386110              1.0000000        
D   1
  1      0.2376930              1.0000000        
F   1
  1      0.4551150              1.0000000        
G   1
  1      0.7765610              1.0000000        
H   1
  1      1.3023800              1.0000000        
I   1
  1      2.3811900              1.0000000        


name: aug-cc-pV5Z-RI diffuse
description: N/A
elt: Al
data:
ALUMINUM
S   1
  1      0.0400000              1.0000000        
P   1
  1      0.0600000              1.0000000        
D   1
  1      0.0600399              1.0000000        
F   1
  1      0.0779236              1.0000000        
G   1
  1      0.0773450              1.0000000        
H   1
  1      0.1562970              1.0000000        
I   1
  1      0.3213140              1.0000000        


name: aug-cc-pV5Z-RI diffuse
description: N/A
elt: Si
data:
SILICON
S   1
  1      0.0500000              1.0000000        
P   1
  1      0.0650000              1.0000000        
D   1
  1      0.0800000              1.0000000        
F   1
  1      0.0978920              1.0000000        
G   1
  1      0.1210350              1.0000000        
H   1
  1      0.2307520              1.0000000        
I   1
  1      0.4663400              1.0000000        


name: aug-cc-pV5Z-RI diffuse
description: N/A
elt: P
data:
PHOSPHOROUS
S   1
  1      0.0600000              1.0000000        
P   1
  1      0.0731432              1.0000000        
D   1
  1      0.0850000              1.0000000        
F   1
  1      0.1181590              1.0000000        
G   1
  1      0.1441110              1.0000000        
H   1
  1      0.2852270              1.0000000        
I   1
  1      0.5297980              1.0000000        


name: aug-cc-pV5Z-RI diffuse
description: N/A
elt: S
data:
SULFUR
S   1
  1      0.0650000              1.0000000        
P   1
  1      0.0900000              1.0000000        
D   1
  1      0.0860772              1.0000000        
F   1
  1      0.1535770              1.0000000        
G   1
  1      0.2084460              1.0000000        
H   1
  1      0.3493280              1.0000000        
I   1
  1      0.6795320              1.0000000        


name: aug-cc-pV5Z-RI diffuse
description: N/A
elt: Cl
data:
CHLORINE
S   1
  1      0.0750000              1.0000000        
P   1
  1      0.1200000              1.0000000        
D   1
  1      0.1050000              1.0000000        
F   1
  1      0.2002040              1.0000000        
G   1
  1      0.2841980              1.0000000        
H   1
  1      0.4450810              1.0000000        
I   1
  1      0.8746310              1.0000000        


name: aug-cc-pV5Z-RI diffuse
description: N/A
elt: Ar
data:
ARGON
S   1
  1      0.1020860              1.0000000        
P   1
  1      0.1594830              1.0000000        
D   1
  1      0.1290720              1.0000000        
F   1
  1      0.2400560              1.0000000        
G   1
  1      0.3780240              1.0000000        
H   1
  1      0.5532920              1.0000000        
I   1
  1      1.1033800              1.0000000        


name: aug-cc-pV5Z_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVnZ orbital basis sets
elt: H
data:
HYDROGEN
S   1
  1      7.2570890              1.0000000        
S   1
  1      2.2429910              1.0000000        
S   1
  1      0.8543460              1.0000000        
S   1
  1      0.3066780              1.0000000        
P   1
  1     22.6327350              1.0000000        
P   1
  1      6.7946560              1.0000000        
P   1
  1      2.6241450              1.0000000        
P   1
  1      0.9777040              1.0000000        
D   1
  1      4.5808320              1.0000000        
D   1
  1      1.8686230              1.0000000        
D   1
  1      0.7406740              1.0000000        
F   1
  1      3.7588180              1.0000000        
F   1
  1      1.3133220              1.0000000        
F   1
  1      0.5827880              1.0000000        
G   1
  1      3.5254090              1.0000000        
G   1
  1      1.2606730              1.0000000        
H   1
  1      2.5109650              1.0000000        


name: aug-cc-pV5Z_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVnZ orbital basis sets
elt: He
data:
HELIUM
S   1
  1     18.0833410              1.0000000        
S   1
  1      5.3720140              1.0000000        
S   1
  1      1.8907970              1.0000000        
S   1
  1      0.6801770              1.0000000        
P   1
  1     36.6389970              1.0000000        
P   1
  1      5.5954620              1.0000000        
P   1
  1      2.3530560              1.0000000        
P   1
  1      0.7234600              1.0000000        
D   1
  1     20.3357010              1.0000000        
D   1
  1      4.9120200              1.0000000        
D   1
  1      1.5951580              1.0000000        
F   1
  1     10.1331940              1.0000000        
F   1
  1      3.3175600              1.0000000        
F   1
  1      1.0280910              1.0000000        
G   1
  1      5.7828200              1.0000000        
G   1
  1      1.8953390              1.0000000        
H   1
  1      3.9184220              1.0000000        


name: aug-cc-pV5Z_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVnZ orbital basis sets
elt: B
data:
BORON
S   1
  1      3.0318070              1.0000000        
S   1
  1      0.7839850              1.0000000        
S   1
  1      0.2727630              1.0000000        
S   1
  1      0.1048720              1.0000000        
P   1
  1      2.8848580              1.0000000        
P   1
  1      1.2906320              1.0000000        
P   1
  1      0.4378920              1.0000000        
P   1
  1      0.1845040              1.0000000        
P   1
  1      0.0746350              1.0000000        
D   1
  1      4.8098390              1.0000000        
D   1
  1      3.1027280              1.0000000        
D   1
  1      1.2342890              1.0000000        
D   1
  1      0.4740350              1.0000000        
F   1
  1      3.4418140              1.0000000        
F   1
  1      0.8086950              1.0000000        
F   1
  1      0.3500420              1.0000000        
G   1
  1      2.1779590              1.0000000        
G   1
  1      0.6924940              1.0000000        
G   1
  1      0.1035150              1.0000000        
H   1
  1      1.3262350              1.0000000        
H   1
  1      0.2562270              1.0000000        
I   1
  1      0.8507250              1.0000000        


name: aug-cc-pV5Z_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVnZ orbital basis sets
elt: C
data:
CARBON
S   1
  1      4.5004950              1.0000000        
S   1
  1      1.1035870              1.0000000        
S   1
  1      0.3849330              1.0000000        
S   1
  1      0.1526580              1.0000000        
P   1
  1      4.1606640              1.0000000        
P   1
  1      1.6261630              1.0000000        
P   1
  1      0.6783280              1.0000000        
P   1
  1      0.2997450              1.0000000        
P   1
  1      0.1219200              1.0000000        
D   1
  1     10.1380890              1.0000000        
D   1
  1      5.2445430              1.0000000        
D   1
  1      1.9905050              1.0000000        
D   1
  1      0.7542460              1.0000000        
F   1
  1      4.9040340              1.0000000        
F   1
  1      1.2558070              1.0000000        
F   1
  1      0.5408400              1.0000000        
G   1
  1      3.5249200              1.0000000        
G   1
  1      1.0127920              1.0000000        
G   1
  1      0.1147860              1.0000000        
H   1
  1      2.3396300              1.0000000        
H   1
  1      0.3913170              1.0000000        
I   1
  1      1.2459670              1.0000000        


name: aug-cc-pV5Z_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVnZ orbital basis sets
elt: N
data:
NITROGEN
S   1
  1      6.3232820              1.0000000        
S   1
  1      1.3939630              1.0000000        
S   1
  1      0.5309000              1.0000000        
S   1
  1      0.2091620              1.0000000        
P   1
  1      6.6139280              1.0000000        
P   1
  1      2.6439980              1.0000000        
P   1
  1      1.0040260              1.0000000        
P   1
  1      0.4368750              1.0000000        
P   1
  1      0.1596390              1.0000000        
D   1
  1     13.5171600              1.0000000        
D   1
  1      6.9593990              1.0000000        
D   1
  1      3.0913940              1.0000000        
D   1
  1      1.1198200              1.0000000        
F   1
  1      7.0600140              1.0000000        
F   1
  1      1.8023900              1.0000000        
F   1
  1      0.7384730              1.0000000        
G   1
  1      5.0194910              1.0000000        
G   1
  1      1.4041190              1.0000000        
G   1
  1      0.1348280              1.0000000        
H   1
  1      3.4552510              1.0000000        
H   1
  1      0.5275680              1.0000000        
I   1
  1      1.9414710              1.0000000        


name: aug-cc-pV5Z_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVnZ orbital basis sets
elt: O
data:
OXYGEN
S   1
  1      8.4797640              1.0000000        
S   1
  1      1.7082740              1.0000000        
S   1
  1      0.7589520              1.0000000        
S   1
  1      0.2746680              1.0000000        
P   1
  1      8.9536530              1.0000000        
P   1
  1      3.1404980              1.0000000        
P   1
  1      1.3164560              1.0000000        
P   1
  1      0.5216180              1.0000000        
P   1
  1      0.1928450              1.0000000        
D   1
  1     23.2590920              1.0000000        
D   1
  1      9.3218050              1.0000000        
D   1
  1      3.4565030              1.0000000        
D   1
  1      1.3590800              1.0000000        
F   1
  1      9.9072490              1.0000000        
F   1
  1      2.4423480              1.0000000        
F   1
  1      0.9200130              1.0000000        
G   1
  1      6.4279160              1.0000000        
G   1
  1      1.9843210              1.0000000        
G   1
  1      0.3397690              1.0000000        
H   1
  1      4.4290120              1.0000000        
H   1
  1      0.6857020              1.0000000        
I   1
  1      2.2264960              1.0000000        


name: aug-cc-pV5Z_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVnZ orbital basis sets
elt: F
data:
FLUORINE
S   1
  1     11.1095380              1.0000000        
S   1
  1      2.2582580              1.0000000        
S   1
  1      0.9315950              1.0000000        
S   1
  1      0.3472760              1.0000000        
P   1
  1     11.2078130              1.0000000        
P   1
  1      3.9259070              1.0000000        
P   1
  1      1.5972830              1.0000000        
P   1
  1      0.6251590              1.0000000        
P   1
  1      0.2353900              1.0000000        
D   1
  1     28.6994770              1.0000000        
D   1
  1     11.6311160              1.0000000        
D   1
  1      4.5338420              1.0000000        
D   1
  1      1.7800390              1.0000000        
F   1
  1     13.2981720              1.0000000        
F   1
  1      3.2006020              1.0000000        
F   1
  1      1.2901730              1.0000000        
G   1
  1      8.9009240              1.0000000        
G   1
  1      2.6330260              1.0000000        
H   1
  1      5.6018430              1.0000000        
H   1
  1      0.8857780              1.0000000        
I   1
  1      3.0264800              1.0000000        


name: aug-cc-pV5Z_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVnZ orbital basis sets
elt: Ne
data:
NEON
S   1
  1     13.9417590              1.0000000        
S   1
  1      2.8826580              1.0000000        
S   1
  1      1.0893040              1.0000000        
S   1
  1      0.4433600              1.0000000        
P   1
  1     15.6295050              1.0000000        
P   1
  1      5.7291820              1.0000000        
P   1
  1      1.9726330              1.0000000        
P   1
  1      0.7844730              1.0000000        
P   1
  1      0.2883390              1.0000000        
D   1
  1     37.6999630              1.0000000        
D   1
  1     14.7911660              1.0000000        
D   1
  1      6.0629160              1.0000000        
D   1
  1      2.5503310              1.0000000        
F   1
  1     16.9497430              1.0000000        
F   1
  1      4.2427750              1.0000000        
F   1
  1      1.6992310              1.0000000        
G   1
  1     10.9829530              1.0000000        
G   1
  1      3.3873260              1.0000000        
H   1
  1      7.5035280              1.0000000        
H   1
  1      1.0900190              1.0000000        
I   1
  1      4.0123390              1.0000000        


name: aug-cc-pV5Z_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVnZ orbital basis sets
elt: Al
data:
ALUMINUM
S   1
  1      9.4362200              1.0000000        
S   1
  1      2.3681520              1.0000000        
S   1
  1      0.3896590              1.0000000        
S   1
  1      0.1635570              1.0000000        
S   1
  1      0.0700030              1.0000000        
P   1
  1     11.6277380              1.0000000        
P   1
  1      6.3256140              1.0000000        
P   1
  1      1.7458820              1.0000000        
P   1
  1      0.3869810              1.0000000        
P   1
  1      0.1471000              1.0000000        
D   1
  1     12.5665190              1.0000000        
D   1
  1      5.0905760              1.0000000        
D   1
  1      1.1837280              1.0000000        
D   1
  1      0.2614730              1.0000000        
D   1
  1      0.1089840              1.0000000        
F   1
  1      2.2671450              1.0000000        
F   1
  1      1.3195770              1.0000000        
F   1
  1      0.7680510              1.0000000        
G   1
  1      0.8576060              1.0000000        
G   1
  1      0.3699550              1.0000000        
G   1
  1      0.1626320              1.0000000        
H   1
  1      0.6689100              1.0000000        
H   1
  1      0.3187460              1.0000000        
I   1
  1      0.4357790              1.0000000        


name: aug-cc-pV5Z_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVnZ orbital basis sets
elt: Si
data:
SILICON
S   1
  1     12.9457190              1.0000000        
S   1
  1      3.0492650              1.0000000        
S   1
  1      0.5386730              1.0000000        
S   1
  1      0.2262540              1.0000000        
S   1
  1      0.0984460              1.0000000        
P   1
  1     15.9140710              1.0000000        
P   1
  1      7.3746000              1.0000000        
P   1
  1      2.2679840              1.0000000        
P   1
  1      0.5565950              1.0000000        
P   1
  1      0.2110480              1.0000000        
D   1
  1     15.0734000              1.0000000        
D   1
  1      5.9872560              1.0000000        
D   1
  1      2.0924590              1.0000000        
D   1
  1      0.3705980              1.0000000        
D   1
  1      0.1658580              1.0000000        
F   1
  1      4.3924800              1.0000000        
F   1
  1      2.1244920              1.0000000        
F   1
  1      1.0275440              1.0000000        
G   1
  1      1.0555330              1.0000000        
G   1
  1      0.4743400              1.0000000        
G   1
  1      0.2198980              1.0000000        
H   1
  1      0.8817400              1.0000000        
H   1
  1      0.4325000              1.0000000        
I   1
  1      0.5998810              1.0000000        


name: aug-cc-pV5Z_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVnZ orbital basis sets
elt: P
data:
PHOSPHOROUS
S   1
  1     16.3192770              1.0000000        
S   1
  1      5.3946840              1.0000000        
S   1
  1      0.6594720              1.0000000        
S   1
  1      0.2923680              1.0000000        
S   1
  1      0.1254890              1.0000000        
P   1
  1     25.8625660              1.0000000        
P   1
  1      9.2351430              1.0000000        
P   1
  1      3.0459430              1.0000000        
P   1
  1      0.6484250              1.0000000        
P   1
  1      0.2771730              1.0000000        
D   1
  1     21.9561800              1.0000000        
D   1
  1      8.6185410              1.0000000        
D   1
  1      2.6004990              1.0000000        
D   1
  1      0.5066070              1.0000000        
D   1
  1      0.2176570              1.0000000        
F   1
  1      7.3238040              1.0000000        
F   1
  1      3.1700260              1.0000000        
F   1
  1      1.3721100              1.0000000        
G   1
  1      1.3484990              1.0000000        
G   1
  1      0.6091370              1.0000000        
G   1
  1      0.2753470              1.0000000        
H   1
  1      1.1153070              1.0000000        
H   1
  1      0.5262950              1.0000000        
I   1
  1      0.7728960              1.0000000        


name: aug-cc-pV5Z_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVnZ orbital basis sets
elt: S
data:
SULFUR
S   1
  1     18.1292330              1.0000000        
S   1
  1      6.6416170              1.0000000        
S   1
  1      0.8232590              1.0000000        
S   1
  1      0.3603470              1.0000000        
S   1
  1      0.1551610              1.0000000        
P   1
  1     32.8117280              1.0000000        
P   1
  1     14.8961980              1.0000000        
P   1
  1      2.8560510              1.0000000        
P   1
  1      0.7257710              1.0000000        
P   1
  1      0.3148170              1.0000000        
D   1
  1     34.2036090              1.0000000        
D   1
  1      9.7567650              1.0000000        
D   1
  1      2.4085870              1.0000000        
D   1
  1      0.6234600              1.0000000        
D   1
  1      0.2923820              1.0000000        
F   1
  1     10.2992580              1.0000000        
F   1
  1      4.0926810              1.0000000        
F   1
  1      1.6263340              1.0000000        
G   1
  1      1.6055120              1.0000000        
G   1
  1      0.6930870              1.0000000        
G   1
  1      0.3190990              1.0000000        
H   1
  1      1.3963580              1.0000000        
H   1
  1      0.6410040              1.0000000        
I   1
  1      0.9676010              1.0000000        


name: aug-cc-pV5Z_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVnZ orbital basis sets
elt: Cl
data:
CHLORINE
S   1
  1     29.2370080              1.0000000        
S   1
  1      7.5868510              1.0000000        
S   1
  1      1.0745440              1.0000000        
S   1
  1      0.4385850              1.0000000        
S   1
  1      0.1749340              1.0000000        
P   1
  1     40.3958920              1.0000000        
P   1
  1     12.9571910              1.0000000        
P   1
  1      2.2227770              1.0000000        
P   1
  1      0.8033450              1.0000000        
P   1
  1      0.3801240              1.0000000        
D   1
  1     42.4007700              1.0000000        
D   1
  1     19.4461940              1.0000000        
D   1
  1      4.1020580              1.0000000        
D   1
  1      0.7840030              1.0000000        
D   1
  1      0.3090150              1.0000000        
F   1
  1     13.0193100              1.0000000        
F   1
  1      5.0908200              1.0000000        
F   1
  1      1.9906160              1.0000000        
G   1
  1      1.9396610              1.0000000        
G   1
  1      0.8300020              1.0000000        
G   1
  1      0.3919080              1.0000000        
H   1
  1      1.8063050              1.0000000        
H   1
  1      0.7952380              1.0000000        
I   1
  1      1.1796890              1.0000000        


name: aug-cc-pV5Z_OPTRI
description: CABS RI basis sets for F12 matched to aug-cc-pVnZ orbital basis sets
elt: Ar
data:
ARGON
S   1
  1     35.8877110              1.0000000        
S   1
  1      8.4475340              1.0000000        
S   1
  1      1.1729520              1.0000000        
S   1
  1      0.5214940              1.0000000        
S   1
  1      0.2231650              1.0000000        
P   1
  1     41.2976830              1.0000000        
P   1
  1     14.3713550              1.0000000        
P   1
  1      2.7155460              1.0000000        
P   1
  1      0.9801500              1.0000000        
P   1
  1      0.4117880              1.0000000        
D   1
  1     42.2079550              1.0000000        
D   1
  1     21.0321060              1.0000000        
D   1
  1      6.2390570              1.0000000        
D   1
  1      0.9453540              1.0000000        
D   1
  1      0.4045700              1.0000000        
F   1
  1     15.5071910              1.0000000        
F   1
  1      6.1821240              1.0000000        
F   1
  1      2.4645770              1.0000000        
G   1
  1      2.3213630              1.0000000        
G   1
  1      0.9903830              1.0000000        
G   1
  1      0.4702360              1.0000000        
H   1
  1      2.2196220              1.0000000        
H   1
  1      0.9663970              1.0000000        
I   1
  1      1.4711420              1.0000000        


name: aug-cc-pV6Z Diffuse
description: 1D Diffuse Functions
elt: H
data:
HYDROGEN
S   1
  1      0.0189000              1.0000000        
P   1
  1      0.0670000              1.0000000        
D   1
  1      0.1260000              1.0000000        
F   1
  1      0.2450000              1.0000000        
G   1
  1      0.4070000              1.0000000        
H   1
  1      0.6820000              1.0000000        


name: aug-cc-pV6Z Diffuse
description: 1D Diffuse Functions
elt: He
data:
HELIUM
S   1
  1      0.0447300              1.0000000        
P   1
  1      0.1280000              1.0000000        
D   1
  1      0.2410000              1.0000000        
F   1
  1      0.4070000              1.0000000        
G   1
  1      0.6860000              1.0000000        
H   1
  1      1.0160000              1.0000000        


name: aug-cc-pV6Z Diffuse
description: 1D Diffuse Functions
elt: B
data:
BORON
S   1
  1      0.0230000              1.0000000        
P   1
  1      0.0136500              1.0000000        
D   1
  1      0.0392000              1.0000000        
F   1
  1      0.0733000              1.0000000        
G   1
  1      0.1620000              1.0000000        
H   1
  1      0.2880000              1.0000000        
I   1
  1      0.5000000              1.0000000        


name: aug-cc-pV6Z Diffuse
description: 1D Diffuse Functions
elt: C
data:
CARBON
S   1
  1      0.0354000              1.0000000        
P   1
  1      0.0237600              1.0000000        
D   1
  1      0.0636000              1.0000000        
F   1
  1      0.1180000              1.0000000        
G   1
  1      0.2540000              1.0000000        
H   1
  1      0.4510000              1.0000000        
I   1
  1      0.7760000              1.0000000        


name: aug-cc-pV6Z Diffuse
description: 1D Diffuse Functions
elt: N
data:
NITROGEN
S   1
  1      0.0471400              1.0000000        
P   1
  1      0.0315000              1.0000000        
D   1
  1      0.0874000              1.0000000        
F   1
  1      0.1510000              1.0000000        
G   1
  1      0.3260000              1.0000000        
H   1
  1      0.5870000              1.0000000        
I   1
  1      1.0410000              1.0000000        


name: aug-cc-pV6Z Diffuse
description: 1D Diffuse Functions
elt: O
data:
OXYGEN
S   1
  1      0.0593500              1.0000000        
P   1
  1      0.0338000              1.0000000        
D   1
  1      0.1150000              1.0000000        
F   1
  1      0.1950000              1.0000000        
G   1
  1      0.4060000              1.0000000        
H   1
  1      0.7480000              1.0000000        
I   1
  1      1.3450000              1.0000000        


name: aug-cc-pV6Z Diffuse
description: 1D Diffuse Functions
elt: F
data:
FLUORINE
S   1
  1      0.0731500              1.0000000        
P   1
  1      0.0476000              1.0000000        
D   1
  1      0.1510000              1.0000000        
F   1
  1      0.2720000              1.0000000        
G   1
  1      0.5200000              1.0000000        
H   1
  1      0.9850000              1.0000000        
I   1
  1      1.7390000              1.0000000        


name: aug-cc-pV6Z Diffuse
description: 1D Diffuse Functions
elt: Ne
data:
NEON
S   1
  1      0.0869000              1.0000000        
P   1
  1      0.0566000              1.0000000        
D   1
  1      0.1870000              1.0000000        
F   1
  1      0.3492000              1.0000000        
G   1
  1      0.6345000              1.0000000        
H   1
  1      1.2093000              1.0000000        
I   1
  1      2.1215000              1.0000000        


name: aug-cc-pV6Z Diffuse
description: 1D Diffuse Functions
elt: Al
data:
ALUMINUM
S   1
  1      0.0173700              1.0000000        
P   1
  1      0.0102100              1.0000000        
D   1
  1      0.0266600              1.0000000        
F   1
  1      0.0462500              1.0000000        
G   1
  1      0.0854500              1.0000000        
H   1
  1      0.1655000              1.0000000        
I   1
  1      0.2990000              1.0000000        


name: aug-cc-pV6Z Diffuse
description: 1D Diffuse Functions
elt: Si
data:
SILICON
S   1
  1      0.0253900              1.0000000        
P   1
  1      0.0169400              1.0000000        
D   1
  1      0.0413900              1.0000000        
F   1
  1      0.0688400              1.0000000        
G   1
  1      0.1164000              1.0000000        
H   1
  1      0.2351000              1.0000000        
I   1
  1      0.4271000              1.0000000        


name: aug-cc-pV6Z Diffuse
description: 1D Diffuse Functions
elt: P
data:
PHOSPHOROUS
S   1
  1      0.0322800              1.0000000        
P   1
  1      0.0219700              1.0000000        
D   1
  1      0.0549200              1.0000000        
F   1
  1      0.0871000              1.0000000        
G   1
  1      0.1470000              1.0000000        
H   1
  1      0.2874000              1.0000000        
I   1
  1      0.5151000              1.0000000        


name: aug-cc-pV6Z Diffuse
description: 1D Diffuse Functions
elt: S
data:
SULFUR
S   1
  1      0.0389300              1.0000000        
P   1
  1      0.0264800              1.0000000        
D   1
  1      0.0698600              1.0000000        
F   1
  1      0.1100000              1.0000000        
G   1
  1      0.1799000              1.0000000        
H   1
  1      0.3465000              1.0000000        
I   1
  1      0.6222000              1.0000000        


name: aug-cc-pV6Z Diffuse
description: 1D Diffuse Functions
elt: Cl
data:
CHLORINE
S   1
  1      0.0462500              1.0000000        
P   1
  1      0.0316300              1.0000000        
D   1
  1      0.0888500              1.0000000        
F   1
  1      0.1465000              1.0000000        
G   1
  1      0.2177000              1.0000000        
H   1
  1      0.4365000              1.0000000        
I   1
  1      0.8074000              1.0000000        


name: aug-cc-pV6Z Diffuse
description: 1D Diffuse Functions
elt: Ar
data:
ARGON
S   1
  1      0.0535700              1.0000000        
P   1
  1      0.0367800              1.0000000        
D   1
  1      0.1078000              1.0000000        
F   1
  1      0.1830000              1.0000000        
G   1
  1      0.2555000              1.0000000        
H   1
  1      0.5265000              1.0000000        
I   1
  1      0.9926000              1.0000000        


name: aug-cc-pV6Z-RI diffuse
description: N/A
elt: H
data:
HYDROGEN
S   1
  1      0.0691785              1.0000000        
P   1
  1      0.1058250              1.0000000        
D   1
  1      0.2063040              1.0000000        
F   1
  1      0.3591300              1.0000000        
G   1
  1      0.6045860              1.0000000        
H   1
  1      0.8453360              1.0000000        
I   1
  1      1.1658300              1.0000000        


name: aug-cc-pV6Z-RI diffuse
description: N/A
elt: He
data:
HELIUM
S   1
  1      0.1482240              1.0000000        
P   1
  1      0.2962900              1.0000000        
D   1
  1      0.4748920              1.0000000        
F   1
  1      0.6911960              1.0000000        
G   1
  1      1.0339200              1.0000000        
H   1
  1      1.4300000              1.0000000        
I   1
  1      2.5939900              1.0000000        


name: aug-cc-pV6Z-RI diffuse
description: N/A
elt: B
data:
BORON
S   1
  1      0.0508502              1.0000000        
P   1
  1      0.0669553              1.0000000        
D   1
  1      0.0555561              1.0000000        
F   1
  1      0.0720837              1.0000000        
G   1
  1      0.1167370              1.0000000        
H   1
  1      0.2425550              1.0000000        
I   1
  1      0.3460630              1.0000000        
K   1
  1      0.6415240              1.0000000        


name: aug-cc-pV6Z-RI diffuse
description: N/A
elt: C
data:
CARBON
S   1
  1      0.0703308              1.0000000        
P   1
  1      0.0812994              1.0000000        
D   1
  1      0.0736652              1.0000000        
F   1
  1      0.1221130              1.0000000        
G   1
  1      0.1932090              1.0000000        
H   1
  1      0.3831450              1.0000000        
I   1
  1      0.6394850              1.0000000        
K   1
  1      0.9894270              1.0000000        


name: aug-cc-pV6Z-RI diffuse
description: N/A
elt: N
data:
NITROGEN
S   1
  1      0.0923591              1.0000000        
P   1
  1      0.1065830              1.0000000        
D   1
  1      0.1017510              1.0000000        
F   1
  1      0.2096700              1.0000000        
G   1
  1      0.2901300              1.0000000        
H   1
  1      0.5361580              1.0000000        
I   1
  1      0.8457630              1.0000000        
K   1
  1      1.4021900              1.0000000        


name: aug-cc-pV6Z-RI diffuse
description: N/A
elt: O
data:
OXYGEN
S   1
  1      0.1098320              1.0000000        
P   1
  1      0.1376100              1.0000000        
D   1
  1      0.1004080              1.0000000        
F   1
  1      0.2106300              1.0000000        
G   1
  1      0.3181510              1.0000000        
H   1
  1      0.6230540              1.0000000        
I   1
  1      1.0396500              1.0000000        
K   1
  1      1.7699500              1.0000000        


name: aug-cc-pV6Z-RI diffuse
description: N/A
elt: F
data:
FLUORINE
S   1
  1      0.1290810              1.0000000        
P   1
  1      0.1781470              1.0000000        
D   1
  1      0.1234140              1.0000000        
F   1
  1      0.2804310              1.0000000        
G   1
  1      0.4549100              1.0000000        
H   1
  1      0.8066780              1.0000000        
I   1
  1      1.4015700              1.0000000        
K   1
  1      2.3024400              1.0000000        


name: aug-cc-pV6Z-RI diffuse
description: N/A
elt: Ne
data:
NEON
S   1
  1      0.1827160              1.0000000        
P   1
  1      0.2116190              1.0000000        
D   1
  1      0.2531250              1.0000000        
F   1
  1      0.4151270              1.0000000        
G   1
  1      0.6365720              1.0000000        
H   1
  1      1.0580100              1.0000000        
I   1
  1      1.8008700              1.0000000        
K   1
  1      2.9499400              1.0000000        


name: aug-cc-pV6Z-RI diffuse
description: N/A
elt: Al
data:
ALUMINUM
S   1
  1      0.0270484              1.0000000        
P   1
  1      0.0355123              1.0000000        
D   1
  1      0.0432914              1.0000000        
F   1
  1      0.0542597              1.0000000        
G   1
  1      0.0820111              1.0000000        
H   1
  1      0.1504990              1.0000000        
I   1
  1      0.2241180              1.0000000        
K   1
  1      0.3803370              1.0000000        


name: aug-cc-pV6Z-RI diffuse
description: N/A
elt: Si
data:
SILICON
S   1
  1      0.0372869              1.0000000        
P   1
  1      0.0445953              1.0000000        
D   1
  1      0.0521037              1.0000000        
F   1
  1      0.0768723              1.0000000        
G   1
  1      0.1129940              1.0000000        
H   1
  1      0.1901920              1.0000000        
I   1
  1      0.3247860              1.0000000        
K   1
  1      0.5696670              1.0000000        


name: aug-cc-pV6Z-RI diffuse
description: N/A
elt: P
data:
PHOSPHOROUS
S   1
  1      0.0509333              1.0000000        
P   1
  1      0.0586717              1.0000000        
D   1
  1      0.0669157              1.0000000        
F   1
  1      0.1078060              1.0000000        
G   1
  1      0.1403950              1.0000000        
H   1
  1      0.2394050              1.0000000        
I   1
  1      0.4003810              1.0000000        
K   1
  1      0.6876520              1.0000000        


name: aug-cc-pV6Z-RI diffuse
description: N/A
elt: S
data:
SULFUR
S   1
  1      0.0585590              1.0000000        
P   1
  1      0.0903698              1.0000000        
D   1
  1      0.0781470              1.0000000        
F   1
  1      0.1335080              1.0000000        
G   1
  1      0.1761910              1.0000000        
H   1
  1      0.2833630              1.0000000        
I   1
  1      0.4902150              1.0000000        
K   1
  1      0.8419140              1.0000000        


name: aug-cc-pV6Z-RI diffuse
description: N/A
elt: Cl
data:
CHLORINE
S   1
  1      0.0713960              1.0000000        
P   1
  1      0.1049990              1.0000000        
D   1
  1      0.0847585              1.0000000        
F   1
  1      0.1755440              1.0000000        
G   1
  1      0.2334050              1.0000000        
H   1
  1      0.3577880              1.0000000        
I   1
  1      0.6141430              1.0000000        
K   1
  1      1.0980600              1.0000000        


name: aug-cc-pV6Z-RI diffuse
description: N/A
elt: Ar
data:
ARGON
S   1
  1      0.0866461              1.0000000        
P   1
  1      0.1403120              1.0000000        
D   1
  1      0.1086520              1.0000000        
F   1
  1      0.2037820              1.0000000        
G   1
  1      0.2608280              1.0000000        
H   1
  1      0.4456380              1.0000000        
I   1
  1      0.7927850              1.0000000        
K   1
  1      1.3899300              1.0000000        


name: aug-cc-pVDZ Diffuse
description: 1D Diffuse Functions
elt: H
data:
HYDROGEN
S   1
  1      0.0297400              1.0000000        
P   1
  1      0.1410000              1.0000000        


name: aug-cc-pVDZ Diffuse
description: 1D Diffuse Functions
elt: He
data:
HELIUM
S   1
  1      0.0725500              1.0000000        
P   1
  1      0.2473000              1.0000000        


name: aug-cc-pVDZ Diffuse
description: 1D Diffuse Functions
elt: Li
data:
LITHIUM
S   1
  1      0.0086400              1.0000000        
P   1
  1      0.0057900              1.0000000        
D   1
  1      0.0725000              1.0000000        


name: aug-cc-pVDZ Diffuse
description: 1D Diffuse Functions
elt: Be
data:
BERYLLIUM
S   1
  1      0.0187700              1.0000000        
P   1
  1      0.0085000              1.0000000        
D   1
  1      0.0740000              1.0000000        


name: aug-cc-pVDZ Diffuse
description: 1D Diffuse Functions
elt: B
data:
BORON
S   1
  1      0.0310500              1.0000000        
P   1
  1      0.0237800              1.0000000        
D   1
  1      0.0904000              1.0000000        


name: aug-cc-pVDZ Diffuse
description: 1D Diffuse Functions
elt: C
data:
CARBON
S   1
  1      0.0469000              1.0000000        
P   1
  1      0.0404100              1.0000000        
D   1
  1      0.1510000              1.0000000        


name: aug-cc-pVDZ Diffuse
description: 1D Diffuse Functions
elt: N
data:
NITROGEN
S   1
  1      0.0612400              1.0000000        
P   1
  1      0.0561100              1.0000000        
D   1
  1      0.2300000              1.0000000        


name: aug-cc-pVDZ Diffuse
description: 1D Diffuse Functions
elt: O
data:
OXYGEN
S   1
  1      0.0789600              1.0000000        
P   1
  1      0.0685600              1.0000000        
D   1
  1      0.3320000              1.0000000        


name: aug-cc-pVDZ Diffuse
description: 1D Diffuse Functions
elt: F
data:
FLUORINE
S   1
  1      0.0986300              1.0000000        
P   1
  1      0.0850200              1.0000000        
D   1
  1      0.4640000              1.0000000        


name: aug-cc-pVDZ Diffuse
description: 1D Diffuse Functions
elt: Ne
data:
NEON
S   1
  1      0.1230000              1.0000000        
P   1
  1      0.1064000              1.0000000        
D   1
  1      0.6310000              1.0000000        


name: aug-cc-pVDZ Diffuse
description: 1D Diffuse Functions
elt: Na
data:
SODIUM
S   1
  1      0.0072500              1.0000000        
P   1
  1      0.0063300              1.0000000        
D   1
  1      0.0468000              1.0000000        


name: aug-cc-pVDZ Diffuse
description: 1D Diffuse Functions
elt: Mg
data:
MAGNESIUM
S   1
  1      0.0148800              1.0000000        
P   1
  1      0.0093500              1.0000000        
D   1
  1      0.0595000              1.0000000        


name: aug-cc-pVDZ Diffuse
description: 1D Diffuse Functions
elt: Al
data:
ALUMINUM
S   1
  1      0.0231000              1.0000000        
P   1
  1      0.0153000              1.0000000        
D   1
  1      0.0535000              1.0000000        


name: aug-cc-pVDZ Diffuse
description: 1D Diffuse Functions
elt: Si
data:
SILICON
S   1
  1      0.0332000              1.0000000        
P   1
  1      0.0250000              1.0000000        
D   1
  1      0.0823000              1.0000000        


name: aug-cc-pVDZ Diffuse
description: 1D Diffuse Functions
elt: P
data:
PHOSPHOROUS
S   1
  1      0.0417000              1.0000000        
P   1
  1      0.0343000              1.0000000        
D   1
  1      0.1130000              1.0000000        


name: aug-cc-pVDZ Diffuse
description: 1D Diffuse Functions
elt: S
data:
SULFUR
S   1
  1      0.0507000              1.0000000        
P   1
  1      0.0399000              1.0000000        
D   1
  1      0.1520000              1.0000000        


name: aug-cc-pVDZ Diffuse
description: 1D Diffuse Functions
elt: Cl
data:
CHLORINE
S   1
  1      0.0608000              1.0000000        
P   1
  1      0.0466000              1.0000000        
D   1
  1      0.1960000              1.0000000        


name: aug-cc-pVDZ Diffuse
description: 1D Diffuse Functions
elt: Ar
data:
ARGON
S   1
  1      0.0709000              1.0000000        
P   1
  1      0.0533000              1.0000000        
D   1
  1      0.2400000              1.0000000        


name: aug-cc-pVDZ Diffuse
description: 1D Diffuse Functions
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        


name: aug-cc-pVDZ Diffuse
description: 1D Diffuse Functions
elt: Ti
data:
TITANIUM
S   1
  1      1.173000E-02           1.0000000        
P   1
  1      1.176000E-02           1.0000000        
D   1
  1      1.726000E-02           1.0000000        
F   1
  1      8.266000E-02           1.0000000        


name: aug-cc-pVDZ Diffuse
description: 1D Diffuse Functions
elt: V
data:
VANADIUM
S   1
  1      1.232000E-02           1.0000000        
P   1
  1      1.244000E-02           1.0000000        
D   1
  1      2.256000E-02           1.0000000        
F   1
  1      1.311200E-01           1.0000000        


name: aug-cc-pVDZ Diffuse
description: 1D Diffuse Functions
elt: Cr
data:
CHROMIUM
S   1
  1      1.247000E-02           1.0000000        
P   1
  1      1.307000E-02           1.0000000        
D   1
  1      2.517000E-02           1.0000000        
F   1
  1      1.763600E-01           1.0000000        


name: aug-cc-pVDZ Diffuse
description: 1D Diffuse Functions
elt: Mn
data:
MANGANESE
S   1
  1      1.335000E-02           1.0000000        
P   1
  1      1.380000E-02           1.0000000        
D   1
  1      2.875000E-02           1.0000000        
F   1
  1      2.226000E-01           1.0000000        


name: aug-cc-pVDZ Diffuse
description: 1D Diffuse Functions
elt: Fe
data:
IRON
S   1
  1      1.401000E-02           1.0000000        
P   1
  1      1.407000E-02           1.0000000        
D   1
  1      3.243000E-02           1.0000000        
F   1
  1      2.749000E-01           1.0000000        


name: aug-cc-pVDZ Diffuse
description: 1D Diffuse Functions
elt: Co
data:
COBALT
S   1
  1      1.459000E-02           1.0000000        
P   1
  1      1.525000E-02           1.0000000        
D   1
  1      3.625000E-02           1.0000000        
F   1
  1      3.271500E-01           1.0000000        


name: aug-cc-pVDZ Diffuse
description: 1D Diffuse Functions
elt: Ni
data:
NICKEL
S   1
  1      1.516000E-02           1.0000000        
P   1
  1      1.502000E-02           1.0000000        
D   1
  1      4.067000E-02           1.0000000        
F   1
  1      4.083000E-01           1.0000000        


name: aug-cc-pVDZ Diffuse
description: 1D Diffuse Functions
elt: Cu
data:
COPPER
S   1
  1      1.572000E-02           1.0000000        
P   1
  1      1.545000E-02           1.0000000        
D   1
  1      6.591000E-02           1.0000000        
F   1
  1      4.617200E-01           1.0000000        


name: aug-cc-pVDZ Diffuse
description: 1D Diffuse Functions
elt: Zn
data:
ZINC
S   1
  1      1.623000E-02           1.0000000        
P   1
  1      1.592000E-02           1.0000000        
D   1
  1      9.049000E-02           1.0000000        
F   1
  1      5.486100E-01           1.0000000        


name: aug-cc-pVDZ Diffuse
description: 1D Diffuse Functions
elt: Ga
data:
GALLIUM
S   1
  1      0.0243480              1.0000000        
P   1
  1      0.0151640              1.0000000        
D   1
  1      0.0537000              1.0000000        


name: aug-cc-pVDZ Diffuse
description: 1D Diffuse Functions
elt: Ge
data:
GERMANIUM
S   1
  1      0.0339610              1.0000000        
P   1
  1      0.0239450              1.0000000        
D   1
  1      0.0771000              1.0000000        


name: aug-cc-pVDZ Diffuse
description: 1D Diffuse Functions
elt: As
data:
ARSENIC
S   1
  1      0.0411520              1.0000000        
P   1
  1      0.0312680              1.0000000        
D   1
  1      0.1078000              1.0000000        


name: aug-cc-pVDZ Diffuse
description: 1D Diffuse Functions
elt: Se
data:
SELENIUM
S   1
  1      0.0487470              1.0000000        
P   1
  1      0.0354920              1.0000000        
D   1
  1      0.1283000              1.0000000        


name: aug-cc-pVDZ Diffuse
description: 1D Diffuse Functions
elt: Br
data:
BROMINE
S   1
  1      0.0569460              1.0000000        
P   1
  1      0.0410490              1.0000000        
D   1
  1      0.1719000              1.0000000        


name: aug-cc-pVDZ Diffuse
description: 1D Diffuse Functions
elt: Kr
data:
KRYPTON
S   1
  1      0.0651450              1.0000000        
P   1
  1      0.0466060              1.0000000        
D   1
  1      0.2155000              1.0000000        


name: aug-cc-pV6Z
description: V6Z5P Valence Sextuple Zeta + Polarization + Diffuse
elt: H
data:
HYDROGEN
S   5
  1   1776.7755600              0.0000440        
  2    254.0177120              0.0003720        
  3     54.6980390              0.0020940        
  4     15.0183440              0.0088630        
  5      4.91507800             0.0305400        
S   1
  1      1.79492400             1.0000000        
S   1
  1      0.71071600             1.0000000        
S   1
  1      0.30480200             1.0000000        
S   1
  1      0.13804600             1.0000000        
S   1
  1      0.06215700             1.0000000        
S   1
  1      0.0189000              1.0000000        
P   1
  1      8.6490000              1.0000000        
P   1
  1      3.4300000              1.0000000        
P   1
  1      1.3600000              1.0000000        
P   1
  1      0.5390000              1.0000000        
P   1
  1      0.2140000              1.0000000        
P   1
  1      0.0670000              1.0000000        
D   1
  1      4.4530000              1.0000000        
D   1
  1      1.9580000              1.0000000        
D   1
  1      0.8610000              1.0000000        
D   1
  1      0.3780000              1.0000000        
D   1
  1      0.1260000              1.0000000        
F   1
  1      4.1000000              1.0000000        
F   1
  1      1.7800000              1.0000000        
F   1
  1      0.7730000              1.0000000        
F   1
  1      0.2450000              1.0000000        
G   1
  1      3.1990000              1.0000000        
G   1
  1      1.3260000              1.0000000        
G   1
  1      0.4070000              1.0000000        
H   1
  1      2.6530000              1.0000000        
H   1
  1      0.6820000              1.0000000        


name: aug-cc-pV6Z
description: V6Z5P Valence Sextuple Zeta + Polarization + Diffuse
elt: He
data:
HELIUM
S   5
  1   4785.0000000              0.0000006        
  2    717.0000000              0.0000047        
  3    163.2000000              0.0000244        
  4     46.2600000              0.0001012        
  5     15.1000000              0.0003486        
S   1
  1      5.4370000              1.0000000        
S   1
  1      2.0880000              1.0000000        
S   1
  1      0.8297000              1.0000000        
S   1
  1      0.3366000              1.0000000        
S   1
  1      0.1369000              1.0000000        
S   1
  1      0.0447300              1.0000000        
P   1
  1      0.3870000              1.0000000        
P   1
  1      0.9840000              1.0000000        
P   1
  1      2.4980000              1.0000000        
P   1
  1      6.3420000              1.0000000        
P   1
  1     16.1040000              1.0000000        
P   1
  1      0.1280000              1.0000000        
D   1
  1      0.7470000              1.0000000        
D   1
  1      1.9100000              1.0000000        
D   1
  1      4.8860000              1.0000000        
D   1
  1     12.4980000              1.0000000        
D   1
  1      0.2410000              1.0000000        
F   1
  1      1.2920000              1.0000000        
F   1
  1      3.4620000              1.0000000        
F   1
  1      9.2760000              1.0000000        
F   1
  1      0.4070000              1.0000000        
G   1
  1      2.2360000              1.0000000        
G   1
  1      6.5860000              1.0000000        
G   1
  1      0.6860000              1.0000000        
H   1
  1      4.1590000              1.0000000        
H   1
  1      1.0160000              1.0000000        


name: aug-cc-pV6Z
description: V6Z5P Valence Sextuple Zeta + Polarization + Diffuse
elt: B
data:
BORON
S   11
  1 210400.0000000              0.00000583       
  2  31500.0000000              0.00004532       
  3   7169.0000000              0.00023838       
  4   2030.0000000              0.00100570       
  5    662.5000000              0.00364496       
  6    239.2000000              0.01173628       
  7     93.2600000              0.03380702       
  8     38.6400000              0.08556593       
  9     16.7800000              0.18260322       
 10      7.5410000              0.30583760       
 11      3.4820000              0.34080347       
S   11
  1 210400.0000000             -0.00000118       
  2  31500.0000000             -0.00000915       
  3   7169.0000000             -0.00004819       
  4   2030.0000000             -0.00020306       
  5    662.5000000             -0.00073917       
  6    239.2000000             -0.00238603       
  7     93.2600000             -0.00698654       
  8     38.6400000             -0.01811594       
  9     16.7800000             -0.04123129       
 10      7.5410000             -0.07781353       
 11      3.4820000             -0.12123181       
S   1
  1      1.6180000              1.0000000        
S   1
  1      0.6270000              1.0000000        
S   1
  1      0.2934000              1.0000000        
S   1
  1      0.1310000              1.0000000        
S   1
  1      0.0581500              1.0000000        
S   1
  1      0.0230000              1.0000000        
P   5
  1    192.5000000              0.00013490       
  2     45.6400000              0.00114741       
  3     14.7500000              0.00584793       
  4      5.5030000              0.02117091       
  5      2.2220000              0.06266872       
P   1
  1      0.9590000              1.0000000        
P   1
  1      0.4314000              1.0000000        
P   1
  1      0.1969000              1.0000000        
P   1
  1      0.0903300              1.0000000        
P   1
  1      0.0406600              1.0000000        
P   1
  1      0.0136500              1.0000000        
D   1
  1      2.8860000              1.0000000        
D   1
  1      1.2670000              1.0000000        
D   1
  1      0.5560000              1.0000000        
D   1
  1      0.2440000              1.0000000        
D   1
  1      0.1070000              1.0000000        
D   1
  1      0.0392000              1.0000000        
F   1
  1      1.6510000              1.0000000        
F   1
  1      0.8002000              1.0000000        
F   1
  1      0.3878000              1.0000000        
F   1
  1      0.1880000              1.0000000        
F   1
  1      0.0733000              1.0000000        
G   1
  1      1.6469000              1.0000000        
G   1
  1      0.7889000              1.0000000        
G   1
  1      0.3779000              1.0000000        
G   1
  1      0.1620000              1.0000000        
H   1
  1      1.3120000              1.0000000        
H   1
  1      0.5806000              1.0000000        
H   1
  1      0.2880000              1.0000000        
I   1
  1      0.9847000              1.0000000        
I   1
  1      0.5000000              1.0000000        


name: aug-cc-pV6Z
description: V6Z5P Valence Sextuple Zeta + Polarization + Diffuse
elt: C
data:
CARBON
S   11
  1 312100.0000000              0.00000567       
  2  46740.0000000              0.00004410       
  3  10640.0000000              0.00023190       
  4   3013.0000000              0.00097897       
  5    982.8000000              0.00355163       
  6    354.8000000              0.01144061       
  7    138.4000000              0.03299855       
  8     57.3500000              0.08405347       
  9     24.9200000              0.18067613       
 10     11.2300000              0.30491140       
 11      5.2010000              0.34141570       
S   11
  1 312100.0000000             -0.00000121       
  2  46740.0000000             -0.00000939       
  3  10640.0000000             -0.00004947       
  4   3013.0000000             -0.00020857       
  5    982.8000000             -0.00076015       
  6    354.8000000             -0.00245469       
  7    138.4000000             -0.00720153       
  8     57.3500000             -0.01880742       
  9     24.9200000             -0.04325001       
 10     11.2300000             -0.08259733       
 11      5.2010000             -0.12857592       
S   1
  1      2.4260000              1.0000000        
S   1
  1      0.9673000              1.0000000        
S   1
  1      0.4456000              1.0000000        
S   1
  1      0.1971000              1.0000000        
S   1
  1      0.0863500              1.0000000        
S   1
  1      0.0354000              1.0000000        
P   5
  1    295.2000000              0.00014249       
  2     69.9800000              0.00122010       
  3     22.6400000              0.00633696       
  4      8.4850000              0.02351875       
  5      3.4590000              0.06990447       
P   1
  1      1.5040000              1.0000000        
P   1
  1      0.6783000              1.0000000        
P   1
  1      0.3087000              1.0000000        
P   1
  1      0.1400000              1.0000000        
P   1
  1      0.0617800              1.0000000        
P   1
  1      0.0237600              1.0000000        
D   1
  1      4.5420000              1.0000000        
D   1
  1      1.9790000              1.0000000        
D   1
  1      0.8621000              1.0000000        
D   1
  1      0.3756000              1.0000000        
D   1
  1      0.1636000              1.0000000        
D   1
  1      0.0636000              1.0000000        
F   1
  1      2.6310000              1.0000000        
F   1
  1      1.2550000              1.0000000        
F   1
  1      0.5988000              1.0000000        
F   1
  1      0.2857000              1.0000000        
F   1
  1      0.1180000              1.0000000        
G   1
  1      2.6520000              1.0000000        
G   1
  1      1.2040000              1.0000000        
G   1
  1      0.5470000              1.0000000        
G   1
  1      0.2540000              1.0000000        
H   1
  1      2.0300000              1.0000000        
H   1
  1      0.8511000              1.0000000        
H   1
  1      0.4510000              1.0000000        
I   1
  1      1.4910000              1.0000000        
I   1
  1      0.7760000              1.0000000        


name: aug-cc-pV6Z
description: V6Z5P Valence Sextuple Zeta + Polarization + Diffuse
elt: N
data:
NITROGEN
S   11
  1 432300.0000000              0.00000559       
  2  64700.0000000              0.00004351       
  3  14720.0000000              0.00022893       
  4   4170.0000000              0.00096502       
  5   1361.0000000              0.00350219       
  6    491.2000000              0.01129212       
  7    191.6000000              0.03261283       
  8     79.4100000              0.08329727       
  9     34.5300000              0.17998566       
 10     15.5800000              0.30500351       
 11      7.2320000              0.34115932       
S   11
  1 432300.0000000             -0.00000123       
  2  64700.0000000             -0.00000958       
  3  14720.0000000             -0.00005051       
  4   4170.0000000             -0.00021264       
  5   1361.0000000             -0.00077534       
  6    491.2000000             -0.00250624       
  7    191.6000000             -0.00736529       
  8     79.4100000             -0.01930167       
  9     34.5300000             -0.04471738       
 10     15.5800000             -0.08606647       
 11      7.2320000             -0.13329627       
S   1
  1      3.3820000              1.0000000        
S   1
  1      1.3690000              1.0000000        
S   1
  1      0.6248000              1.0000000        
S   1
  1      0.2747000              1.0000000        
S   1
  1      0.1192000              1.0000000        
S   1
  1      0.0471400              1.0000000        
P   5
  1    415.9000000              0.00014841       
  2     98.6100000              0.00127634       
  3     31.9200000              0.00670242       
  4     12.0000000              0.02526170       
  5      4.9190000              0.07518943       
P   1
  1      2.1480000              1.0000000        
P   1
  1      0.9696000              1.0000000        
P   1
  1      0.4399000              1.0000000        
P   1
  1      0.1978000              1.0000000        
P   1
  1      0.0860300              1.0000000        
P   1
  1      0.0315000              1.0000000        
D   1
  1      6.7170000              1.0000000        
D   1
  1      2.8960000              1.0000000        
D   1
  1      1.2490000              1.0000000        
D   1
  1      0.5380000              1.0000000        
D   1
  1      0.2320000              1.0000000        
D   1
  1      0.0874000              1.0000000        
F   1
  1      3.8290000              1.0000000        
F   1
  1      1.7950000              1.0000000        
F   1
  1      0.8410000              1.0000000        
F   1
  1      0.3940000              1.0000000        
F   1
  1      0.1510000              1.0000000        
G   1
  1      3.8560000              1.0000000        
G   1
  1      1.7020000              1.0000000        
G   1
  1      0.7510000              1.0000000        
G   1
  1      0.3260000              1.0000000        
H   1
  1      2.8750000              1.0000000        
H   1
  1      1.1700000              1.0000000        
H   1
  1      0.5870000              1.0000000        
I   1
  1      2.0990000              1.0000000        
I   1
  1      1.0410000              1.0000000        


name: aug-cc-pV6Z
description: V6Z5P Valence Sextuple Zeta + Polarization + Diffuse
elt: O
data:
OXYGEN
S   11
  1 570800.0000000              0.00000555       
  2  85480.0000000              0.00004311       
  3  19460.0000000              0.00022667       
  4   5512.0000000              0.00095637       
  5   1798.0000000              0.00347320       
  6    648.9000000              0.01119778       
  7    253.1000000              0.03238766       
  8    104.9000000              0.08285977       
  9     45.6500000              0.17958381       
 10     20.6200000              0.30522110       
 11      9.5870000              0.34089349       
S   11
  1 570800.0000000             -0.00000126       
  2  85480.0000000             -0.00000977       
  3  19460.0000000             -0.00005148       
  4   5512.0000000             -0.00021696       
  5   1798.0000000             -0.00079162       
  6    648.9000000             -0.00255900       
  7    253.1000000             -0.00753313       
  8    104.9000000             -0.01978897       
  9     45.6500000             -0.04606288       
 10     20.6200000             -0.08919560       
 11      9.5870000             -0.13754216       
S   1
  1      4.4930000              1.0000000        
S   1
  1      1.8370000              1.0000000        
S   1
  1      0.8349000              1.0000000        
S   1
  1      0.3658000              1.0000000        
S   1
  1      0.1570000              1.0000000        
S   1
  1      0.0593500              1.0000000        
P   5
  1    525.6000000              0.00016664       
  2    124.6000000              0.00143336       
  3     40.3400000              0.00754762       
  4     15.1800000              0.02859456       
  5      6.2450000              0.08438858       
P   1
  1      2.7320000              1.0000000        
P   1
  1      1.2270000              1.0000000        
P   1
  1      0.5492000              1.0000000        
P   1
  1      0.2418000              1.0000000        
P   1
  1      0.1025000              1.0000000        
P   1
  1      0.0338000              1.0000000        
D   1
  1      8.2530000              1.0000000        
D   1
  1      3.5970000              1.0000000        
D   1
  1      1.5680000              1.0000000        
D   1
  1      0.6840000              1.0000000        
D   1
  1      0.2980000              1.0000000        
D   1
  1      0.1150000              1.0000000        
F   1
  1      5.4300000              1.0000000        
F   1
  1      2.4160000              1.0000000        
F   1
  1      1.0750000              1.0000000        
F   1
  1      0.4780000              1.0000000        
F   1
  1      0.1950000              1.0000000        
G   1
  1      5.2110000              1.0000000        
G   1
  1      2.1900000              1.0000000        
G   1
  1      0.9200000              1.0000000        
G   1
  1      0.4060000              1.0000000        
H   1
  1      3.8720000              1.0000000        
H   1
  1      1.5050000              1.0000000        
H   1
  1      0.7480000              1.0000000        
I   1
  1      2.7730000              1.0000000        
I   1
  1      1.3450000              1.0000000        


name: aug-cc-pV6Z
description: V6Z5P Valence Sextuple Zeta + Polarization + Diffuse
elt: F
data:
FLUORINE
S   11
  1 723500.0000000              0.00000556       
  2 108400.0000000              0.00004318       
  3  24680.0000000              0.00022700       
  4   6990.0000000              0.00095803       
  5   2282.0000000              0.00347015       
  6    824.6000000              0.01118526       
  7    321.8000000              0.03232880       
  8    133.5000000              0.08279545       
  9     58.1100000              0.17988024       
 10     26.2800000              0.30557831       
 11     12.2400000              0.34026839       
S   11
  1 723500.0000000             -0.00000129       
  2 108400.0000000             -0.00000999       
  3  24680.0000000             -0.00005260       
  4   6990.0000000             -0.00022172       
  5   2282.0000000             -0.00080692       
  6    824.6000000             -0.00260817       
  7    321.8000000             -0.00767402       
  8    133.5000000             -0.02019353       
  9     58.1100000             -0.04718752       
 10     26.2800000             -0.09158009       
 11     12.2400000             -0.14048558       
S   1
  1      5.7470000              1.0000000        
S   1
  1      2.3650000              1.0000000        
S   1
  1      1.0710000              1.0000000        
S   1
  1      0.4681000              1.0000000        
S   1
  1      0.1994000              1.0000000        
S   1
  1      0.0731500              1.0000000        
P   5
  1    660.0000000              0.00017721       
  2    156.4000000              0.00152691       
  3     50.6400000              0.00807207       
  4     19.0800000              0.03074021       
  5      7.8720000              0.09011914       
P   1
  1      3.4490000              1.0000000        
P   1
  1      1.5450000              1.0000000        
P   1
  1      0.6864000              1.0000000        
P   1
  1      0.2986000              1.0000000        
P   1
  1      0.1245000              1.0000000        
P   1
  1      0.0476000              1.0000000        
D   1
  1     10.5730000              1.0000000        
D   1
  1      4.6130000              1.0000000        
D   1
  1      2.0130000              1.0000000        
D   1
  1      0.8780000              1.0000000        
D   1
  1      0.3830000              1.0000000        
D   1
  1      0.1510000              1.0000000        
F   1
  1      7.5630000              1.0000000        
F   1
  1      3.3300000              1.0000000        
F   1
  1      1.4660000              1.0000000        
F   1
  1      0.6450000              1.0000000        
F   1
  1      0.2720000              1.0000000        
G   1
  1      6.7350000              1.0000000        
G   1
  1      2.7830000              1.0000000        
G   1
  1      1.1500000              1.0000000        
G   1
  1      0.5200000              1.0000000        
H   1
  1      5.0880000              1.0000000        
H   1
  1      1.9370000              1.0000000        
H   1
  1      0.9850000              1.0000000        
I   1
  1      3.5810000              1.0000000        
I   1
  1      1.7390000              1.0000000        


name: aug-cc-pV6Z
description: V6Z5P Valence Sextuple Zeta + Polarization + Diffuse
elt: Ne
data:
NEON
S   11
  1 902400.0000000              0.00000551       
  2 135100.0000000              0.00004282       
  3  30750.0000000              0.00022514       
  4   8710.0000000              0.00095016       
  5   2842.0000000              0.00344719       
  6   1026.0000000              0.01112545       
  7    400.1000000              0.03220568       
  8    165.9000000              0.08259891       
  9     72.2100000              0.17990564       
 10     32.6600000              0.30605208       
 11     15.2200000              0.34012559       
S   11
  1 902400.0000000             -0.00000129       
  2 135100.0000000             -0.00001005       
  3  30750.0000000             -0.00005293       
  4   8710.0000000             -0.00022312       
  5   2842.0000000             -0.00081338       
  6   1026.0000000             -0.00263230       
  7    400.1000000             -0.00775910       
  8    165.9000000             -0.02045277       
  9     72.2100000             -0.04797505       
 10     32.6600000             -0.09340086       
 11     15.2200000             -0.14277215       
S   1
  1      7.1490000              1.0000000        
S   1
  1      2.9570000              1.0000000        
S   1
  1      1.3350000              1.0000000        
S   1
  1      0.5816000              1.0000000        
S   1
  1      0.2463000              1.0000000        
S   1
  1      0.0869000              1.0000000        
P   5
  1    815.6000000              0.00018376       
  2    193.3000000              0.00158509       
  3     62.6000000              0.00841464       
  4     23.6100000              0.03220033       
  5      9.7620000              0.09396390       
P   1
  1      4.2810000              1.0000000        
P   1
  1      1.9150000              1.0000000        
P   1
  1      0.8476000              1.0000000        
P   1
  1      0.3660000              1.0000000        
P   1
  1      0.1510000              1.0000000        
P   1
  1      0.0566000              1.0000000        
D   1
  1     13.3170000              1.0000000        
D   1
  1      5.8030000              1.0000000        
D   1
  1      2.5290000              1.0000000        
D   1
  1      1.1020000              1.0000000        
D   1
  1      0.4800000              1.0000000        
D   1
  1      0.1870000              1.0000000        
F   1
  1     10.3560000              1.0000000        
F   1
  1      4.5380000              1.0000000        
F   1
  1      1.9890000              1.0000000        
F   1
  1      0.8710000              1.0000000        
F   1
  1      0.3492000              1.0000000        
G   1
  1      8.3450000              1.0000000        
G   1
  1      3.4170000              1.0000000        
G   1
  1      1.3990000              1.0000000        
G   1
  1      0.6345000              1.0000000        
H   1
  1      6.5190000              1.0000000        
H   1
  1      2.4470000              1.0000000        
H   1
  1      1.2093000              1.0000000        
I   1
  1      4.4890000              1.0000000        
I   1
  1      2.1215000              1.0000000        


name: aug-cc-pV6Z
description: V6Z5P Valence Sextuple Zeta + Polarization + Diffuse
elt: Al
data:
ALUMINUM
S   16
  1 3652000.0000000             0.0000019        
  2 546800.0000000              0.0000145        
  3 124500.0000000              0.0000762        
  4  35440.0000000              0.0003158        
  5  11840.0000000              0.0010974        
  6   4434.0000000              0.0033697        
  7   1812.0000000              0.0093222        
  8    791.5000000              0.0237992        
  9    361.0000000              0.0568191        
 10    169.5000000              0.1224680        
 11     81.6800000              0.2238970        
 12     40.2800000              0.3134460        
 13     20.2500000              0.2749750        
 14     10.2300000              0.1105640        
 15      4.8020000              0.0119215        
 16      2.3390000              0.0006528        
S   16
  1 3652000.0000000            -0.0000005        
  2 546800.0000000             -0.0000038        
  3 124500.0000000             -0.0000198        
  4  35440.0000000             -0.0000821        
  5  11840.0000000             -0.0002858        
  6   4434.0000000             -0.0008785        
  7   1812.0000000             -0.0024482        
  8    791.5000000             -0.0063100        
  9    361.0000000             -0.0154854        
 10    169.5000000             -0.0349589        
 11     81.6800000             -0.0707729        
 12     40.2800000             -0.1194230        
 13     20.2500000             -0.1488420        
 14     10.2300000             -0.0590465        
 15      4.8020000              0.2166930        
 16      2.3390000              0.4765570        
S   16
  1 3652000.0000000             0.0000001        
  2 546800.0000000              0.0000009        
  3 124500.0000000              0.0000046        
  4  35440.0000000              0.0000190        
  5  11840.0000000              0.0000659        
  6   4434.0000000              0.0002031        
  7   1812.0000000              0.0005647        
  8    791.5000000              0.0014620        
  9    361.0000000              0.0035794        
 10    169.5000000              0.0081516        
 11     81.6800000              0.0165276        
 12     40.2800000              0.0285467        
 13     20.2500000              0.0361484        
 14     10.2300000              0.0153804        
 15      4.8020000             -0.0612141        
 16      2.3390000             -0.1512630        
S   1
  1      1.1630000              1.0000000        
S   1
  1      0.5882000              1.0000000        
S   1
  1      0.2311000              1.0000000        
S   1
  1      0.1027000              1.0000000        
S   1
  1      0.0452100              1.0000000        
S   1
  1      0.0173700              1.0000000        
P   9
  1   2884.0000000              0.0000638        
  2    683.2000000              0.0005631        
  3    222.0000000              0.0031691        
  4     84.8200000              0.0132401        
  5     35.8100000              0.0433403        
  6     16.2200000              0.1119500        
  7      7.7020000              0.2177960        
  8      3.7410000              0.3116750        
  9      1.8310000              0.3167220        
P   9
  1   2884.0000000             -0.0000080        
  2    683.2000000             -0.0000651        
  3    222.0000000             -0.0003999        
  4     84.8200000             -0.0015369        
  5     35.8100000             -0.0055644        
  6     16.2200000             -0.0131106        
  7      7.7020000             -0.0297200        
  8      3.7410000             -0.0347195        
  9      1.8310000             -0.0551621        
P   1
  1      0.8878000              1.0000000        
P   1
  1      0.3989000              1.0000000        
P   1
  1      0.1718000              1.0000000        
P   1
  1      0.0729800              1.0000000        
P   1
  1      0.0306900              1.0000000        
P   1
  1      0.0102100              1.0000000        
D   1
  1      2.2143000              1.0000000        
D   1
  1      0.9449000              1.0000000        
D   1
  1      0.4032000              1.0000000        
D   1
  1      0.1721000              1.0000000        
D   1
  1      0.0734300              1.0000000        
D   1
  1      0.0266600              1.0000000        
F   1
  1      0.8756000              1.0000000        
F   1
  1      0.4472000              1.0000000        
F   1
  1      0.2284000              1.0000000        
F   1
  1      0.1167000              1.0000000        
F   1
  1      0.0462500              1.0000000        
G   1
  1      0.6952000              1.0000000        
G   1
  1      0.3771000              1.0000000        
G   1
  1      0.2046000              1.0000000        
G   1
  1      0.0854500              1.0000000        
H   1
  1      0.6560000              1.0000000        
H   1
  1      0.3300000              1.0000000        
H   1
  1      0.1655000              1.0000000        
I   1
  1      0.5302000              1.0000000        
I   1
  1      0.2990000              1.0000000        


name: aug-cc-pV6Z
description: V6Z5P Valence Sextuple Zeta + Polarization + Diffuse
elt: Si
data:
SILICON
S   16
  1 4465000.0000000             0.0000017        
  2 668500.0000000              0.0000136        
  3 152200.0000000              0.0000714        
  4  43300.0000000              0.0002973        
  5  14410.0000000              0.0010383        
  6   5394.0000000              0.0031747        
  7   2212.0000000              0.0087324        
  8    968.1000000              0.0223830        
  9    441.2000000              0.0537273        
 10    207.1000000              0.1166490        
 11     99.8000000              0.2159780        
 12     49.2400000              0.3095660        
 13     24.7400000              0.2839450        
 14     12.4700000              0.1222320        
 15      5.7950000              0.0141952        
 16      2.8300000              0.0003121        
S   16
  1 4465000.0000000            -0.0000005        
  2 668500.0000000             -0.0000036        
  3 152200.0000000             -0.0000190        
  4  43300.0000000             -0.0000791        
  5  14410.0000000             -0.0002769        
  6   5394.0000000             -0.0008472        
  7   2212.0000000             -0.0023478        
  8    968.1000000             -0.0060705        
  9    441.2000000             -0.0149711        
 10    207.1000000             -0.0339729        
 11     99.8000000             -0.0694584        
 12     49.2400000             -0.1190010        
 13     24.7400000             -0.1536450        
 14     12.4700000             -0.0704684        
 15      5.7950000              0.2131490        
 16      2.8300000              0.4915960        
S   16
  1 4465000.0000000             0.0000001        
  2 668500.0000000              0.0000009        
  3 152200.0000000              0.0000049        
  4  43300.0000000              0.0000203        
  5  14410.0000000              0.0000709        
  6   5394.0000000              0.0002172        
  7   2212.0000000              0.0006013        
  8    968.1000000              0.0015591        
  9    441.2000000              0.0038443        
 10    207.1000000              0.0087797        
 11     99.8000000              0.0180388        
 12     49.2400000              0.0315224        
 13     24.7400000              0.0416905        
 14     12.4700000              0.0200973        
 15      5.7950000             -0.0667484        
 16      2.8300000             -0.1819060        
S   1
  1      1.4070000              1.0000000        
S   1
  1      0.6995000              1.0000000        
S   1
  1      0.3083000              1.0000000        
S   1
  1      0.1385000              1.0000000        
S   1
  1      0.0614500              1.0000000        
S   1
  1      0.0253900              1.0000000        
P   9
  1   3572.0000000              0.0000599        
  2    846.0000000              0.0005296        
  3    274.8000000              0.0029958        
  4    105.0000000              0.0126335        
  5     44.3500000              0.0419044        
  6     20.0800000              0.1102590        
  7      9.5300000              0.2188310        
  8      4.6340000              0.3178280        
  9      2.2800000              0.3194250        
P   9
  1   3572.0000000             -0.0000128        
  2    846.0000000             -0.0001126        
  3    274.8000000             -0.0006402        
  4    105.0000000             -0.0027029        
  5     44.3500000             -0.0090789        
  6     20.0800000             -0.0242348        
  7      9.5300000             -0.0493460        
  8      4.6340000             -0.0725859        
  9      2.2800000             -0.0804258        
P   1
  1      1.1160000              1.0000000        
P   1
  1      0.4991000              1.0000000        
P   1
  1      0.2254000              1.0000000        
P   1
  1      0.1001000              1.0000000        
P   1
  1      0.0433200              1.0000000        
P   1
  1      0.0169400              1.0000000        
D   1
  1      3.2386000              1.0000000        
D   1
  1      1.3767000              1.0000000        
D   1
  1      0.5853000              1.0000000        
D   1
  1      0.2488000              1.0000000        
D   1
  1      0.1058000              1.0000000        
D   1
  1      0.0413900              1.0000000        
F   1
  1      1.3510000              1.0000000        
F   1
  1      0.6600000              1.0000000        
F   1
  1      0.3225000              1.0000000        
F   1
  1      0.1575000              1.0000000        
F   1
  1      0.0688400              1.0000000        
G   1
  1      0.8528000              1.0000000        
G   1
  1      0.4631000              1.0000000        
G   1
  1      0.2515000              1.0000000        
G   1
  1      0.1164000              1.0000000        
H   1
  1      0.8557000              1.0000000        
H   1
  1      0.4231000              1.0000000        
H   1
  1      0.2351000              1.0000000        
I   1
  1      0.6946000              1.0000000        
I   1
  1      0.4271000              1.0000000        


name: aug-cc-pV6Z
description: V6Z5P Valence Sextuple Zeta + Polarization + Diffuse
elt: P
data:
PHOSPHOROUS
S   16
  1 5384000.0000000             0.0000016        
  2 806200.0000000              0.0000128        
  3 183600.0000000              0.0000672        
  4  52250.0000000              0.0002797        
  5  17390.0000000              0.0009767        
  6   6523.0000000              0.0029684        
  7   2687.0000000              0.0081240        
  8   1178.0000000              0.0209200        
  9    536.2000000              0.0505590        
 10    251.5000000              0.1104790        
 11    121.3000000              0.2069570        
 12     59.8800000              0.3047370        
 13     30.0500000              0.2929520        
 14     15.1200000              0.1355610        
 15      7.0100000              0.0173208        
 16      3.4410000             -0.0000352        
S   16
  1 5384000.0000000            -0.0000004        
  2 806200.0000000             -0.0000035        
  3 183600.0000000             -0.0000183        
  4  52250.0000000             -0.0000759        
  5  17390.0000000             -0.0002657        
  6   6523.0000000             -0.0008080        
  7   2687.0000000             -0.0022273        
  8   1178.0000000             -0.0057833        
  9    536.2000000             -0.0143438        
 10    251.5000000             -0.0327061        
 11    121.3000000             -0.0673716        
 12     59.8800000             -0.1176470        
 13     30.0500000             -0.1572800        
 14     15.1200000             -0.0838544        
 15      7.0100000              0.1997180        
 16      3.4410000              0.4986050        
S   16
  1 5384000.0000000             0.0000001        
  2 806200.0000000              0.0000010        
  3 183600.0000000              0.0000050        
  4  52250.0000000              0.0000209        
  5  17390.0000000              0.0000730        
  6   6523.0000000              0.0002221        
  7   2687.0000000              0.0006122        
  8   1178.0000000              0.0015918        
  9    536.2000000              0.0039534        
 10    251.5000000              0.0090572        
 11    121.3000000              0.0187909        
 12     59.8800000              0.0333831        
 13     30.0500000              0.0459484        
 14     15.1200000              0.0255240        
 15      7.0100000             -0.0669496        
 16      3.4410000             -0.2036450        
S   1
  1      1.7120000              1.0000000        
S   1
  1      0.8337000              1.0000000        
S   1
  1      0.3912000              1.0000000        
S   1
  1      0.1777000              1.0000000        
S   1
  1      0.0793900              1.0000000        
S   1
  1      0.0322800              1.0000000        
P   9
  1   4552.0000000              0.0000520        
  2   1078.0000000              0.0004604        
  3    350.1000000              0.0026208        
  4    133.8000000              0.0111873        
  5     56.5200000              0.0378229        
  6     25.5800000              0.1021160        
  7     12.1400000              0.2103140        
  8      5.9020000              0.3173830        
  9      2.9100000              0.3271650        
P   9
  1   4552.0000000             -0.0000124        
  2   1078.0000000             -0.0001094        
  3    350.1000000             -0.0006256        
  4    133.8000000             -0.0026734        
  5     56.5200000             -0.0091552        
  6     25.5800000             -0.0250993        
  7     12.1400000             -0.0531810        
  8      5.9020000             -0.0815888        
  9      2.9100000             -0.0919725        
P   1
  1      1.4350000              1.0000000        
P   1
  1      0.6570000              1.0000000        
P   1
  1      0.3005000              1.0000000        
P   1
  1      0.1340000              1.0000000        
P   1
  1      0.0578300              1.0000000        
P   1
  1      0.0219700              1.0000000        
D   1
  1      4.3008000              1.0000000        
D   1
  1      1.8346000              1.0000000        
D   1
  1      0.7826000              1.0000000        
D   1
  1      0.3339000              1.0000000        
D   1
  1      0.1424000              1.0000000        
D   1
  1      0.0549200              1.0000000        
F   1
  1      1.8160000              1.0000000        
F   1
  1      0.8806000              1.0000000        
F   1
  1      0.4270000              1.0000000        
F   1
  1      0.2070000              1.0000000        
F   1
  1      0.0871000              1.0000000        
G   1
  1      1.0616000              1.0000000        
G   1
  1      0.5791000              1.0000000        
G   1
  1      0.3159000              1.0000000        
G   1
  1      0.1470000              1.0000000        
H   1
  1      1.0850000              1.0000000        
H   1
  1      0.5277000              1.0000000        
H   1
  1      0.2874000              1.0000000        
I   1
  1      0.8890000              1.0000000        
I   1
  1      0.5151000              1.0000000        


name: aug-cc-pV6Z
description: V6Z5P Valence Sextuple Zeta + Polarization + Diffuse
elt: S
data:
SULFUR
S   16
  1 6297000.0000000             0.0000016        
  2 943100.0000000              0.0000124        
  3 214900.0000000              0.0000649        
  4  61250.0000000              0.0002693        
  5  20450.0000000              0.0009347        
  6   7719.0000000              0.0028083        
  7   3198.0000000              0.0076740        
  8   1402.0000000              0.0198898        
  9    637.2000000              0.0482589        
 10    298.9000000              0.1057570        
 11    144.3000000              0.2002230        
 12     71.2100000              0.3007280        
 13     35.7300000              0.2986880        
 14     17.9700000              0.1463470        
 15      8.3410000              0.0201159        
 16      4.1120000             -0.0002488        
S   16
  1 6297000.0000000            -0.0000004        
  2 943100.0000000             -0.0000034        
  3 214900.0000000             -0.0000179        
  4  61250.0000000             -0.0000744        
  5  20450.0000000             -0.0002587        
  6   7719.0000000             -0.0007777        
  7   3198.0000000             -0.0021396        
  8   1402.0000000             -0.0055906        
  9    637.2000000             -0.0139076        
 10    298.9000000             -0.0317689        
 11    144.3000000             -0.0659302        
 12     71.2100000             -0.1168320        
 13     35.7300000             -0.1597870        
 14     17.9700000             -0.0945322        
 15      8.3410000              0.1878280        
 16      4.1120000              0.5046830        
S   16
  1 6297000.0000000             0.0000001        
  2 943100.0000000              0.0000010        
  3 214900.0000000              0.0000052        
  4  61250.0000000              0.0000216        
  5  20450.0000000              0.0000751        
  6   7719.0000000              0.0002258        
  7   3198.0000000              0.0006217        
  8   1402.0000000              0.0016251        
  9    637.2000000              0.0040535        
 10    298.9000000              0.0092902        
 11    144.3000000              0.0194561        
 12     71.2100000              0.0350040        
 13     35.7300000              0.0494897        
 14     17.9700000              0.0303443        
 15      8.3410000             -0.0663661        
 16      4.1120000             -0.2231540        
S   1
  1      2.0450000              1.0000000        
S   1
  1      0.9770000              1.0000000        
S   1
  1      0.4766000              1.0000000        
S   1
  1      0.2185000              1.0000000        
S   1
  1      0.0975900              1.0000000        
S   1
  1      0.0389300              1.0000000        
P   9
  1   5266.0000000              0.0000523        
  2   1247.0000000              0.0004635        
  3    405.0000000              0.0026410        
  4    154.8000000              0.0113169        
  5     65.3800000              0.0384704        
  6     29.5900000              0.1043390        
  7     14.0400000              0.2156840        
  8      6.8240000              0.3252600        
  9      3.3690000              0.3261780        
P   9
  1   5266.0000000             -0.0000133        
  2   1247.0000000             -0.0001179        
  3    405.0000000             -0.0006759        
  4    154.8000000             -0.0028973        
  5     65.3800000             -0.0099980        
  6     29.5900000             -0.0275416        
  7     14.0400000             -0.0587943        
  8      6.8240000             -0.0903761        
  9      3.3690000             -0.0999891        
P   1
  1      1.6660000              1.0000000        
P   1
  1      0.7681000              1.0000000        
P   1
  1      0.3504000              1.0000000        
P   1
  1      0.1556000              1.0000000        
P   1
  1      0.0668100              1.0000000        
P   1
  1      0.0264800              1.0000000        
D   1
  1      5.0755000              1.0000000        
D   1
  1      2.1833000              1.0000000        
D   1
  1      0.9392000              1.0000000        
D   1
  1      0.4040000              1.0000000        
D   1
  1      0.1738000              1.0000000        
D   1
  1      0.0698600              1.0000000        
F   1
  1      2.2120000              1.0000000        
F   1
  1      1.0630000              1.0000000        
F   1
  1      0.5100000              1.0000000        
F   1
  1      0.2450000              1.0000000        
F   1
  1      0.1100000              1.0000000        
G   1
  1      1.3473000              1.0000000        
G   1
  1      0.7009000              1.0000000        
G   1
  1      0.3647000              1.0000000        
G   1
  1      0.1799000              1.0000000        
H   1
  1      1.2861000              1.0000000        
H   1
  1      0.6115000              1.0000000        
H   1
  1      0.3465000              1.0000000        
I   1
  1      1.0409000              1.0000000        
I   1
  1      0.6222000              1.0000000        


name: aug-cc-pV6Z
description: V6Z5P Valence Sextuple Zeta + Polarization + Diffuse
elt: Cl
data:
CHLORINE
S   16
  1 7733000.0000000             0.14347400E-05   
  2 1158000.0000000             0.11148600E-04   
  3 263700.0000000              0.58586500E-04   
  4  75010.0000000              0.24451800E-03   
  5  24890.0000000              0.85828700E-03   
  6   9318.0000000              0.26101900E-02   
  7   3840.0000000              0.71378400E-02   
  8   1684.0000000              0.18456400E-01   
  9    766.3000000              0.44894400E-01   
 10    359.5000000              0.99382200E-01   
 11    173.4000000              0.19078200       
 12     85.6100000              0.29356500       
 13     42.9300000              0.30647700       
 14     21.5500000              0.16220900       
 15     10.0500000              0.24938300E-01   
 16      4.9780000             -0.51314200E-03   
S   16
  1 7733000.0000000            -0.40222700E-06   
  2 1158000.0000000            -0.31244800E-05   
  3 263700.0000000             -0.16429000E-04   
  4  75010.0000000             -0.68542100E-04   
  5  24890.0000000             -0.24100100E-03   
  6   9318.0000000             -0.73353800E-03   
  7   3840.0000000             -0.20183000E-02   
  8   1684.0000000             -0.52610700E-02   
  9    766.3000000             -0.13098600E-01   
 10    359.5000000             -0.30179400E-01   
 11    173.4000000             -0.63188800E-01   
 12     85.6100000             -0.11385900       
 13     42.9300000             -0.16125100       
 14     21.5500000             -0.10923400       
 15     10.0500000              0.16299900       
 16      4.9780000              0.50141300       
S   16
  1 7733000.0000000             0.12169600E-06   
  2 1158000.0000000             0.94514100E-06   
  3 263700.0000000              0.49711900E-05   
  4  75010.0000000              0.20732300E-04   
  5  24890.0000000              0.72940200E-04   
  6   9318.0000000              0.22189900E-03   
  7   3840.0000000              0.61135500E-03   
  8   1684.0000000              0.15933700E-02   
  9    766.3000000              0.39800100E-02   
 10    359.5000000              0.91937500E-02   
 11    173.4000000              0.19439900E-01   
 12     85.6100000              0.35518700E-01   
 13     42.9300000              0.52067400E-01   
 14     21.5500000              0.36564400E-01   
 15     10.0500000             -0.59750000E-01   
 16      4.9780000             -0.23164100       
S   1
  1      2.4780000              1.0000000        
S   1
  1      1.1800000              1.0000000        
S   1
  1      0.5828000              1.0000000        
S   1
  1      0.2668000              1.0000000        
S   1
  1      0.1183000              1.0000000        
S   1
  1      0.0462500              1.0000000        
P   9
  1   6091.0000000              0.51619400E-04   
  2   1442.0000000              0.45846800E-03   
  3    468.3000000              0.26150900E-02   
  4    179.0000000              0.11255400E-01   
  5     75.6100000              0.38457700E-01   
  6     34.2200000              0.10508100E+00   
  7     16.2300000              0.21860300E+00   
  8      7.8900000              0.33087400E+00   
  9      3.8980000              0.32587900E+00   
P   9
  1   6091.0000000             -0.13925900E-04   
  2   1442.0000000             -0.12332400E-03   
  3    468.3000000             -0.70755100E-03   
  4    179.0000000             -0.30493900E-02   
  5     75.6100000             -0.10575200E-01   
  6     34.2200000             -0.29409400E-01   
  7     16.2300000             -0.63229600E-01   
  8      7.8900000             -0.98187000E-01   
  9      3.8980000             -0.10587000E+00   
P   1
  1      1.9330000              1.0000000        
P   1
  1      0.9057000              1.0000000        
P   1
  1      0.4140000              1.0000000        
P   1
  1      0.1836000              1.0000000        
P   1
  1      0.0785900              1.0000000        
P   1
  1      0.0316300              1.0000000        
D   1
  1      6.2428000              1.0000000        
D   1
  1      2.6906000              1.0000000        
D   1
  1      1.1596000              1.0000000        
D   1
  1      0.4998000              1.0000000        
D   1
  1      0.2154000              1.0000000        
D   1
  1      0.0888500              1.0000000        
F   1
  1      2.5327000              1.0000000        
F   1
  1      1.2406000              1.0000000        
F   1
  1      0.6077000              1.0000000        
F   1
  1      0.2977000              1.0000000        
F   1
  1      0.1465000              1.0000000        
G   1
  1      1.5388000              1.0000000        
G   1
  1      0.8050000              1.0000000        
G   1
  1      0.4212000              1.0000000        
G   1
  1      0.2177000              1.0000000        
H   1
  1      1.5613000              1.0000000        
H   1
  1      0.7397000              1.0000000        
H   1
  1      0.4365000              1.0000000        
I   1
  1      1.2572000              1.0000000        
I   1
  1      0.8074000              1.0000000        


name: aug-cc-pV6Z
description: V6Z5P Valence Sextuple Zeta + Polarization + Diffuse
elt: Ar
data:
ARGON
S   16
  1 9149000.0000000             0.0000013        
  2 1370000.0000000             0.0000104        
  3 311900.0000000              0.0000549        
  4  88650.0000000              0.0002296        
  5  29330.0000000              0.0008103        
  6  10930.0000000              0.0024853        
  7   4480.0000000              0.0068369        
  8   1962.0000000              0.0176199        
  9    894.1000000              0.0428752        
 10    419.6000000              0.0954853        
 11    202.3000000              0.1850640        
 12     99.8400000              0.2890420        
 13     50.0700000              0.3101660        
 14     25.1400000              0.1721830        
 15     11.8100000              0.0285227        
 16      5.8820000             -0.0005757        
S   16
  1 9149000.0000000            -0.0000004        
  2 1370000.0000000            -0.0000030        
  3 311900.0000000             -0.0000156        
  4  88650.0000000             -0.0000652        
  5  29330.0000000             -0.0002304        
  6  10930.0000000             -0.0007075        
  7   4480.0000000             -0.0019573        
  8   1962.0000000             -0.0050856        
  9    894.1000000             -0.0126528        
 10    419.6000000             -0.0293065        
 11    202.3000000             -0.0617712        
 12     99.8400000             -0.1125410        
 13     50.0700000             -0.1622930        
 14     25.1400000             -0.1184120        
 15     11.8100000              0.1461480        
 16      5.8820000              0.4977520        
S   16
  1 9149000.0000000             0.0000001        
  2 1370000.0000000             0.0000009        
  3 311900.0000000              0.0000049        
  4  88650.0000000              0.0000204        
  5  29330.0000000              0.0000720        
  6  10930.0000000              0.0002210        
  7   4480.0000000              0.0006125        
  8   1962.0000000              0.0015908        
  9    894.1000000              0.0039722        
 10    419.6000000              0.0092204        
 11    202.3000000              0.0196367        
 12     99.8400000              0.0362570        
 13     50.0700000              0.0541725        
 14     25.1400000              0.0409996        
 15     11.8100000             -0.0551744        
 16      5.8820000             -0.2387540        
S   1
  1      2.9390000              1.0000000        
S   1
  1      1.4050000              1.0000000        
S   1
  1      0.6963000              1.0000000        
S   1
  1      0.3188000              1.0000000        
S   1
  1      0.1410000              1.0000000        
S   1
  1      0.0535700              1.0000000        
P   9
  1   7050.0000000              0.0000502        
  2   1669.0000000              0.0004454        
  3    542.1000000              0.0025480        
  4    207.1000000              0.0110155        
  5     87.5200000              0.0378490        
  6     39.6100000              0.1043550        
  7     18.7800000              0.2193350        
  8      9.1300000              0.3346150        
  9      4.5160000              0.3267710        
P   9
  1   7050.0000000             -0.0000140        
  2   1669.0000000             -0.0001243        
  3    542.1000000             -0.0007147        
  4    207.1000000             -0.0030968        
  5     87.5200000             -0.0107961        
  6     39.6100000             -0.0303536        
  7     18.7800000             -0.0659785        
  8      9.1300000             -0.1038770        
  9      4.5160000             -0.1099560        
P   1
  1      2.2450000              1.0000000        
P   1
  1      1.0650000              1.0000000        
P   1
  1      0.4885000              1.0000000        
P   1
  1      0.2166000              1.0000000        
P   1
  1      0.0925500              1.0000000        
P   1
  1      0.0367800              1.0000000        
D   1
  1      7.6327000              1.0000000        
D   1
  1      3.2876000              1.0000000        
D   1
  1      1.4160000              1.0000000        
D   1
  1      0.6099000              1.0000000        
D   1
  1      0.2627000              1.0000000        
D   1
  1      0.1078000              1.0000000        
F   1
  1      3.0582000              1.0000000        
F   1
  1      1.5292000              1.0000000        
F   1
  1      0.7647000              1.0000000        
F   1
  1      0.3824000              1.0000000        
F   1
  1      0.1830000              1.0000000        
G   1
  1      1.8450000              1.0000000        
G   1
  1      0.9657000              1.0000000        
G   1
  1      0.5055000              1.0000000        
G   1
  1      0.2555000              1.0000000        
H   1
  1      1.8743000              1.0000000        
H   1
  1      0.8871000              1.0000000        
H   1
  1      0.5265000              1.0000000        
I   1
  1      1.5066000              1.0000000        
I   1
  1      0.9926000              1.0000000        


name: aug-cc-pVDZ
description: VDZ2PD Valence Double Zeta + Polarization + Diffuse
elt: H
data:
HYDROGEN
S   3
  1     13.0100000              0.0196850        
  2      1.9620000              0.1379770        
  3      0.4446000              0.4781480        
S   1
  1      0.1220000              1.0000000        
S   1
  1      0.0297400              1.0000000        
P   1
  1      0.7270000              1.0000000        
P   1
  1      0.1410000              1.0000000        


name: aug-cc-pVDZ
description: VDZ2PD Valence Double Zeta + Polarization + Diffuse
elt: He
data:
HELIUM
S   3
  1     38.3600000              0.0238090        
  2      5.7700000              0.1548910        
  3      1.2400000              0.4699870        
S   1
  1      0.2976000              1.0000000        
S   1
  1      0.0725500              1.0000000        
P   1
  1      1.2750000              1.0000000        
P   1
  1      0.2473000              1.0000000        


name: aug-cc-pVDZ
description: VDZ2PD Valence Double Zeta + Polarization + Diffuse
elt: Li
data:
LITHIUM
S   8
  1   1469.0000000              0.0007660        
  2    220.5000000              0.0058920        
  3     50.2600000              0.0296710        
  4     14.2400000              0.1091800        
  5      4.5810000              0.2827890        
  6      1.5800000              0.4531230        
  7      0.5640000              0.2747740        
  8      0.0734500              0.0097510        
S   8
  1   1469.0000000             -0.0001200        
  2    220.5000000             -0.0009230        
  3     50.2600000             -0.0046890        
  4     14.2400000             -0.0176820        
  5      4.5810000             -0.0489020        
  6      1.5800000             -0.0960090        
  7      0.5640000             -0.1363800        
  8      0.0734500              0.5751020        
S   1
  1      0.0280500              1.0000000        
S   1
  1      0.0086400              1.0000000        
P   3
  1      1.5340000              0.0227840        
  2      0.2749000              0.1391070        
  3      0.0736200              0.5003750        
P   1
  1      0.0240300              1.0000000        
P   1
  1      0.0057900              1.0000000        
D   1
  1      0.1239000              1.0000000        
D   1
  1      0.0725000              1.0000000        


name: aug-cc-pVDZ
description: VDZ2PD Valence Double Zeta + Polarization + Diffuse
elt: Be
data:
BERYLLIUM
S   8
  1   2940.0000000              0.0006800        
  2    441.2000000              0.0052360        
  3    100.5000000              0.0266060        
  4     28.4300000              0.0999930        
  5      9.1690000              0.2697020        
  6      3.1960000              0.4514690        
  7      1.1590000              0.2950740        
  8      0.1811000              0.0125870        
S   8
  1   2940.0000000             -0.0001230        
  2    441.2000000             -0.0009660        
  3    100.5000000             -0.0048310        
  4     28.4300000             -0.0193140        
  5      9.1690000             -0.0532800        
  6      3.1960000             -0.1207230        
  7      1.1590000             -0.1334350        
  8      0.1811000              0.5307670        
S   1
  1      0.0589000              1.0000000        
S   1
  1      0.0187700              1.0000000        
P   3
  1      3.6190000              0.0291110        
  2      0.7110000              0.1693650        
  3      0.1951000              0.5134580        
P   1
  1      0.0601800              1.0000000        
P   1
  1      0.0085000              1.0000000        
D   1
  1      0.2380000              1.0000000        
D   1
  1      0.0740000              1.0000000        


name: aug-cc-pVDZ
description: VDZ2PD Valence Double Zeta + Polarization + Diffuse
elt: B
data:
BORON
S   8
  1   4570.0000000              0.0006960        
  2    685.9000000              0.0053530        
  3    156.5000000              0.0271340        
  4     44.4700000              0.1013800        
  5     14.4800000              0.2720550        
  6      5.1310000              0.4484030        
  7      1.8980000              0.2901230        
  8      0.3329000              0.0143220        
S   8
  1   4570.0000000             -0.0001390        
  2    685.9000000             -0.0010970        
  3    156.5000000             -0.0054440        
  4     44.4700000             -0.0219160        
  5     14.4800000             -0.0597510        
  6      5.1310000             -0.1387320        
  7      1.8980000             -0.1314820        
  8      0.3329000              0.5395260        
S   1
  1      0.1043000              1.0000000        
S   1
  1      0.0310500              1.0000000        
P   3
  1      6.0010000              0.0354810        
  2      1.2410000              0.1980720        
  3      0.3364000              0.5052300        
P   1
  1      0.0953800              1.0000000        
P   1
  1      0.0237800              1.0000000        
D   1
  1      0.3430000              1.0000000        
D   1
  1      0.0904000              1.0000000        


name: aug-cc-pVDZ
description: VDZ2PD Valence Double Zeta + Polarization + Diffuse
elt: C
data:
CARBON
S   8
  1   6665.0000000              0.0006920        
  2   1000.0000000              0.0053290        
  3    228.0000000              0.0270770        
  4     64.7100000              0.1017180        
  5     21.0600000              0.2747400        
  6      7.4950000              0.4485640        
  7      2.7970000              0.2850740        
  8      0.5215000              0.0152040        
S   8
  1   6665.0000000             -0.0001460        
  2   1000.0000000             -0.0011540        
  3    228.0000000             -0.0057250        
  4     64.7100000             -0.0233120        
  5     21.0600000             -0.0639550        
  6      7.4950000             -0.1499810        
  7      2.7970000             -0.1272620        
  8      0.5215000              0.5445290        
S   1
  1      0.1596000              1.0000000        
S   1
  1      0.0469000              1.0000000        
P   3
  1      9.4390000              0.0381090        
  2      2.0020000              0.2094800        
  3      0.5456000              0.5085570        
P   1
  1      0.1517000              1.0000000        
P   1
  1      0.0404100              1.0000000        
D   1
  1      0.5500000              1.0000000        
D   1
  1      0.1510000              1.0000000        


name: aug-cc-pVDZ
description: VDZ2PD Valence Double Zeta + Polarization + Diffuse
elt: N
data:
NITROGEN
S   8
  1   9046.0000000              0.0007000        
  2   1357.0000000              0.0053890        
  3    309.3000000              0.0274060        
  4     87.7300000              0.1032070        
  5     28.5600000              0.2787230        
  6     10.2100000              0.4485400        
  7      3.8380000              0.2782380        
  8      0.7466000              0.0154400        
S   8
  1   9046.0000000             -0.0001530        
  2   1357.0000000             -0.0012080        
  3    309.3000000             -0.0059920        
  4     87.7300000             -0.0245440        
  5     28.5600000             -0.0674590        
  6     10.2100000             -0.1580780        
  7      3.8380000             -0.1218310        
  8      0.7466000              0.5490030        
S   1
  1      0.2248000              1.0000000        
S   1
  1      0.0612400              1.0000000        
P   3
  1     13.5500000              0.0399190        
  2      2.9170000              0.2171690        
  3      0.7973000              0.5103190        
P   1
  1      0.2185000              1.0000000        
P   1
  1      0.0561100              1.0000000        
D   1
  1      0.8170000              1.0000000        
D   1
  1      0.2300000              1.0000000        


name: aug-cc-pVDZ
description: VDZ2PD Valence Double Zeta + Polarization + Diffuse
elt: O
data:
OXYGEN
S   8
  1  11720.0000000              0.0007100        
  2   1759.0000000              0.0054700        
  3    400.8000000              0.0278370        
  4    113.7000000              0.1048000        
  5     37.0300000              0.2830620        
  6     13.2700000              0.4487190        
  7      5.0250000              0.2709520        
  8      1.0130000              0.0154580        
S   8
  1  11720.0000000             -0.0001600        
  2   1759.0000000             -0.0012630        
  3    400.8000000             -0.0062670        
  4    113.7000000             -0.0257160        
  5     37.0300000             -0.0709240        
  6     13.2700000             -0.1654110        
  7      5.0250000             -0.1169550        
  8      1.0130000              0.5573680        
S   1
  1      0.3023000              1.0000000        
S   1
  1      0.0789600              1.0000000        
P   3
  1     17.7000000              0.0430180        
  2      3.8540000              0.2289130        
  3      1.0460000              0.5087280        
P   1
  1      0.2753000              1.0000000        
P   1
  1      0.0685600              1.0000000        
D   1
  1      1.1850000              1.0000000        
D   1
  1      0.3320000              1.0000000        


name: aug-cc-pVDZ
description: VDZ2PD Valence Double Zeta + Polarization + Diffuse
elt: F
data:
FLUORINE
S   8
  1  14710.0000000              0.0007210        
  2   2207.0000000              0.0055530        
  3    502.8000000              0.0282670        
  4    142.6000000              0.1064440        
  5     46.4700000              0.2868140        
  6     16.7000000              0.4486410        
  7      6.3560000              0.2647610        
  8      1.3160000              0.0153330        
S   8
  1  14710.0000000             -0.0001650        
  2   2207.0000000             -0.0013080        
  3    502.8000000             -0.0064950        
  4    142.6000000             -0.0266910        
  5     46.4700000             -0.0736900        
  6     16.7000000             -0.1707760        
  7      6.3560000             -0.1123270        
  8      1.3160000              0.5628140        
S   1
  1      0.3897000              1.0000000        
S   1
  1      0.0986300              1.0000000        
P   3
  1     22.6700000              0.0448780        
  2      4.9770000              0.2357180        
  3      1.3470000              0.5085210        
P   1
  1      0.3471000              1.0000000        
P   1
  1      0.0850200              1.0000000        
D   1
  1      1.6400000              1.0000000        
D   1
  1      0.4640000              1.0000000        


name: aug-cc-pVDZ
description: VDZ2PD Valence Double Zeta + Polarization + Diffuse
elt: Ne
data:
NEON
S   8
  1  17880.0000000              0.0007380        
  2   2683.0000000              0.0056770        
  3    611.5000000              0.0288830        
  4    173.5000000              0.1085400        
  5     56.6400000              0.2909070        
  6     20.4200000              0.4483240        
  7      7.8100000              0.2580260        
  8      1.6530000              0.0150630        
S   8
  1  17880.0000000             -0.0001720        
  2   2683.0000000             -0.0013570        
  3    611.5000000             -0.0067370        
  4    173.5000000             -0.0276630        
  5     56.6400000             -0.0762080        
  6     20.4200000             -0.1752270        
  7      7.8100000             -0.1070380        
  8      1.6530000              0.5670500        
S   1
  1      0.4869000              1.0000000        
S   1
  1      0.1230000              1.0000000        
P   3
  1     28.3900000              0.0460870        
  2      6.2700000              0.2401810        
  3      1.6950000              0.5087440        
P   1
  1      0.4317000              1.0000000        
P   1
  1      0.1064000              1.0000000        
D   1
  1      2.2020000              1.0000000        
D   1
  1      0.6310000              1.0000000        


name: aug-cc-pVDZ
description: VDZ2PD Valence Double Zeta + Polarization + Diffuse
elt: Na
data:
SODIUM
S   11
  1  31700.0000000              0.458878D-03     
  2   4755.0000000              0.355070D-02     
  3   1082.0000000              0.182618D-01     
  4    306.4000000              0.716650D-01     
  5     99.5300000              0.212346D+00     
  6     35.4200000              0.416203D+00     
  7     13.3000000              0.373020D+00     
  8      4.3920000              0.625054D-01     
  9      1.6760000             -0.624532D-02     
 10      0.5889000              0.243374D-02     
 11      0.0564000             -0.442381D-03     
S   11
  1  31700.0000000             -0.112162D-03     
  2   4755.0000000             -0.868512D-03     
  3   1082.0000000             -0.451330D-02     
  4    306.4000000             -0.181436D-01     
  5     99.5300000             -0.580799D-01     
  6     35.4200000             -0.137653D+00     
  7     13.3000000             -0.193908D+00     
  8      4.3920000              0.858009D-01     
  9      1.6760000              0.604419D+00     
 10      0.5889000              0.441719D+00     
 11      0.0564000              0.130547D-01     
S   11
  1  31700.0000000              0.170160D-04     
  2   4755.0000000              0.130693D-03     
  3   1082.0000000              0.687784D-03     
  4    306.4000000              0.272359D-02     
  5     99.5300000              0.895529D-02     
  6     35.4200000              0.207832D-01     
  7     13.3000000              0.319380D-01     
  8      4.3920000             -0.191368D-01     
  9      1.6760000             -0.102595D+00     
 10      0.5889000             -0.198945D+00     
 11      0.0564000              0.655952D+00     
S   1
  1      0.0230700              1.0000000        
S   1
  1      0.0072500              1.0000000        
P   7
  1    138.1000000              0.579641D-02     
  2     32.2400000              0.415756D-01     
  3      9.9850000              0.162873D+00     
  4      3.4840000              0.359401D+00     
  5      1.2310000              0.449988D+00     
  6      0.4177000              0.227507D+00     
  7      0.0651300              0.808247D-02     
P   7
  1    138.1000000             -0.581531D-03     
  2     32.2400000             -0.407306D-02     
  3      9.9850000             -0.167937D-01     
  4      3.4840000             -0.353268D-01     
  5      1.2310000             -0.521971D-01     
  6      0.4177000             -0.168359D-01     
  7      0.0651300              0.434613D+00     
P   1
  1      0.0205300              1.0000000        
P   1
  1      0.0063300              1.0000000        
D   1
  1      0.0973000              1.0000000        
D   1
  1      0.0468000              1.0000000        


name: aug-cc-pVDZ
description: VDZ2PD Valence Double Zeta + Polarization + Diffuse
elt: Mg
data:
MAGNESIUM
S   11
  1  47390.0000000              0.346023D-03     
  2   7108.0000000              0.268077D-02     
  3   1618.0000000              0.138367D-01     
  4    458.4000000              0.551767D-01     
  5    149.3000000              0.169660D+00     
  6     53.5900000              0.364703D+00     
  7     20.7000000              0.406856D+00     
  8      8.3840000              0.135089D+00     
  9      2.5420000              0.490884D-02     
 10      0.8787000              0.286460D-03     
 11      0.1077000              0.264590D-04     
S   11
  1  47390.0000000             -0.877839D-04     
  2   7108.0000000             -0.674725D-03     
  3   1618.0000000             -0.355603D-02     
  4    458.4000000             -0.142154D-01     
  5    149.3000000             -0.476748D-01     
  6     53.5900000             -0.114892D+00     
  7     20.7000000             -0.200676D+00     
  8      8.3840000             -0.341224D-01     
  9      2.5420000              0.570454D+00     
 10      0.8787000              0.542309D+00     
 11      0.1077000              0.218128D-01     
S   11
  1  47390.0000000              0.169628D-04     
  2   7108.0000000              0.129865D-03     
  3   1618.0000000              0.688831D-03     
  4    458.4000000              0.273533D-02     
  5    149.3000000              0.931224D-02     
  6     53.5900000              0.223265D-01     
  7     20.7000000              0.411195D-01     
  8      8.3840000              0.545642D-02     
  9      2.5420000             -0.134012D+00     
 10      0.8787000             -0.256176D+00     
 11      0.1077000              0.605856D+00     
S   1
  1      0.0399900              1.0000000        
S   1
  1      0.0148800              1.0000000        
P   7
  1    179.9000000              0.538161D-02     
  2     42.1400000              0.392418D-01     
  3     13.1300000              0.157445D+00     
  4      4.6280000              0.358535D+00     
  5      1.6700000              0.457226D+00     
  6      0.5857000              0.215918D+00     
  7      0.1311000              0.664948D-02     
P   7
  1    179.9000000             -0.865948D-03     
  2     42.1400000             -0.615978D-02     
  3     13.1300000             -0.261519D-01     
  4      4.6280000             -0.570647D-01     
  5      1.6700000             -0.873906D-01     
  6      0.5857000             -0.122990D-01     
  7      0.1311000              0.502085D+00     
P   1
  1      0.0411200              1.0000000        
P   1
  1      0.0093500              1.0000000        
D   1
  1      0.1870000              1.0000000        
D   1
  1      0.0595000              1.0000000        


name: aug-cc-pVDZ
description: VDZ2PD Valence Double Zeta + Polarization + Diffuse
elt: Al
data:
ALUMINUM
S   11
  1  64150.0000000              0.290250D-03     
  2   9617.0000000              0.225064D-02     
  3   2189.0000000              0.116459D-01     
  4    620.5000000              0.467377D-01     
  5    202.7000000              0.146299D+00     
  6     73.1500000              0.330283D+00     
  7     28.5500000              0.415861D+00     
  8     11.7700000              0.189253D+00     
  9      3.3000000              0.115889D-01     
 10      1.1730000             -0.128385D-02     
 11      0.1752000              0.425883D-03     
S   11
  1  64150.0000000             -0.758048D-04     
  2   9617.0000000             -0.581791D-03     
  3   2189.0000000             -0.308113D-02     
  4    620.5000000             -0.123112D-01     
  5    202.7000000             -0.419781D-01     
  6     73.1500000             -0.103371D+00     
  7     28.5500000             -0.196308D+00     
  8     11.7700000             -0.830002D-01     
  9      3.3000000              0.541040D+00     
 10      1.1730000              0.578796D+00     
 11      0.1752000              0.288147D-01     
S   11
  1  64150.0000000              0.175078D-04     
  2   9617.0000000              0.134208D-03     
  3   2189.0000000              0.712442D-03     
  4    620.5000000              0.284330D-02     
  5    202.7000000              0.976842D-02     
  6     73.1500000              0.241850D-01     
  7     28.5500000              0.474993D-01     
  8     11.7700000              0.203621D-01     
  9      3.3000000             -0.158788D+00     
 10      1.1730000             -0.311694D+00     
 11      0.1752000              0.620147D+00     
S   1
  1      0.0647300              1.0000000        
S   1
  1      0.0231000              1.0000000        
P   7
  1    258.8000000              0.406847D-02     
  2     60.8900000              0.306815D-01     
  3     19.1400000              0.129149D+00     
  4      6.8810000              0.320831D+00     
  5      2.5740000              0.453815D+00     
  6      0.9572000              0.275066D+00     
  7      0.2099000              0.190807D-01     
P   7
  1    258.8000000             -0.748053D-03     
  2     60.8900000             -0.545796D-02     
  3     19.1400000             -0.245371D-01     
  4      6.8810000             -0.582138D-01     
  5      2.5740000             -0.983756D-01     
  6      0.9572000             -0.260064D-01     
  7      0.2099000              0.464020D+00     
P   1
  1      0.0598600              1.0000000        
P   1
  1      0.0153000              1.0000000        
D   1
  1      0.1890000              1.0000000        
D   1
  1      0.0535000              1.0000000        


name: aug-cc-pVDZ
description: VDZ2PD Valence Double Zeta + Polarization + Diffuse
elt: Si
data:
SILICON
S   11
  1  78860.0000000              0.270443D-03     
  2  11820.0000000              0.209717D-02     
  3   2692.0000000              0.108506D-01     
  4    763.4000000              0.436754D-01     
  5    249.6000000              0.137653D+00     
  6     90.2800000              0.316644D+00     
  7     35.2900000              0.418581D+00     
  8     14.5100000              0.210212D+00     
  9      4.0530000              0.144952D-01     
 10      1.4820000             -0.203590D-02     
 11      0.2517000              0.624186D-03     
S   11
  1  78860.0000000             -0.723177D-04     
  2  11820.0000000             -0.555116D-03     
  3   2692.0000000             -0.293805D-02     
  4    763.4000000             -0.117687D-01     
  5    249.6000000             -0.402907D-01     
  6     90.2800000             -0.100609D+00     
  7     35.2900000             -0.196528D+00     
  8     14.5100000             -0.102382D+00     
  9      4.0530000              0.527190D+00     
 10      1.4820000              0.593251D+00     
 11      0.2517000              0.332652D-01     
S   11
  1  78860.0000000              0.185113D-04     
  2  11820.0000000              0.142236D-03     
  3   2692.0000000              0.752185D-03     
  4    763.4000000              0.302279D-02     
  5    249.6000000              0.103677D-01     
  6     90.2800000              0.262563D-01     
  7     35.2900000              0.523989D-01     
  8     14.5100000              0.290959D-01     
  9      4.0530000             -0.178003D+00     
 10      1.4820000             -0.346874D+00     
 11      0.2517000              0.623020D+00     
S   1
  1      0.0924300              1.0000000        
S   1
  1      0.0332000              1.0000000        
P   7
  1    315.9000000              0.392656D-02     
  2     74.4200000              0.298811D-01     
  3     23.4800000              0.127212D+00     
  4      8.4880000              0.320943D+00     
  5      3.2170000              0.455429D+00     
  6      1.2290000              0.268563D+00     
  7      0.2964000              0.188336D-01     
P   7
  1    315.9000000             -0.858302D-03     
  2     74.4200000             -0.630328D-02     
  3     23.4800000             -0.288255D-01     
  4      8.4880000             -0.694560D-01     
  5      3.2170000             -0.119493D+00     
  6      1.2290000             -0.199581D-01     
  7      0.2964000              0.510268D+00     
P   1
  1      0.0876800              1.0000000        
P   1
  1      0.0250000              1.0000000        
D   1
  1      0.2750000              1.0000000        
D   1
  1      0.0823000              1.0000000        


name: aug-cc-pVDZ
description: VDZ2PD Valence Double Zeta + Polarization + Diffuse
elt: P
data:
PHOSPHOROUS
S   11
  1  94840.0000000              0.255509D-03     
  2  14220.0000000              0.198193D-02     
  3   3236.0000000              0.102760D-01     
  4    917.1000000              0.414823D-01     
  5    299.5000000              0.131984D+00     
  6    108.1000000              0.308662D+00     
  7     42.1800000              0.420647D+00     
  8     17.2800000              0.222878D+00     
  9      4.8580000              0.164035D-01     
 10      1.8180000             -0.254255D-02     
 11      0.3372000              0.748050D-03     
S   11
  1  94840.0000000             -0.696939D-04     
  2  14220.0000000             -0.535266D-03     
  3   3236.0000000             -0.283709D-02     
  4    917.1000000             -0.113983D-01     
  5    299.5000000             -0.392929D-01     
  6    108.1000000             -0.996364D-01     
  7     42.1800000             -0.197983D+00     
  8     17.2800000             -0.114860D+00     
  9      4.8580000              0.518595D+00     
 10      1.8180000              0.601847D+00     
 11      0.3372000              0.368612D-01     
S   11
  1  94840.0000000              0.191199D-04     
  2  14220.0000000              0.147223D-03     
  3   3236.0000000              0.777912D-03     
  4    917.1000000              0.314546D-02     
  5    299.5000000              0.108200D-01     
  6    108.1000000              0.279957D-01     
  7     42.1800000              0.563978D-01     
  8     17.2800000              0.358190D-01     
  9      4.8580000             -0.193387D+00     
 10      1.8180000             -0.372097D+00     
 11      0.3372000              0.624246D+00     
S   1
  1      0.1232000              1.0000000        
S   1
  1      0.0417000              1.0000000        
P   7
  1    370.5000000              0.395005D-02     
  2     87.3300000              0.302492D-01     
  3     27.5900000              0.129554D+00     
  4     10.0000000              0.327594D+00     
  5      3.8250000              0.456992D+00     
  6      1.4940000              0.253086D+00     
  7      0.3921000              0.168798D-01     
P   7
  1    370.5000000             -0.959832D-03     
  2     87.3300000             -0.711177D-02     
  3     27.5900000             -0.327122D-01     
  4     10.0000000             -0.795784D-01     
  5      3.8250000             -0.135016D+00     
  6      1.4940000             -0.910585D-02     
  7      0.3921000              0.537802D+00     
P   1
  1      0.1186000              1.0000000        
P   1
  1      0.0343000              1.0000000        
D   1
  1      0.3730000              1.0000000        
D   1
  1      0.1130000              1.0000000        


name: aug-cc-pVDZ
description: VDZ2PD Valence Double Zeta + Polarization + Diffuse
elt: S
data:
SULFUR
S   11
  1 110800.0000000              0.247635D-03     
  2  16610.0000000              0.192026D-02     
  3   3781.0000000              0.996192D-02     
  4   1071.0000000              0.402975D-01     
  5    349.8000000              0.128604D+00     
  6    126.3000000              0.303480D+00     
  7     49.2600000              0.421432D+00     
  8     20.1600000              0.230781D+00     
  9      5.7200000              0.178971D-01     
 10      2.1820000             -0.297516D-02     
 11      0.4327000              0.849522D-03     
S   11
  1 110800.0000000             -0.687039D-04     
  2  16610.0000000             -0.527681D-03     
  3   3781.0000000             -0.279671D-02     
  4   1071.0000000             -0.112651D-01     
  5    349.8000000             -0.388834D-01     
  6    126.3000000             -0.995025D-01     
  7     49.2600000             -0.199740D+00     
  8     20.1600000             -0.123360D+00     
  9      5.7200000              0.513194D+00     
 10      2.1820000              0.607120D+00     
 11      0.4327000              0.396753D-01     
S   11
  1 110800.0000000              0.199077D-04     
  2  16610.0000000              0.153483D-03     
  3   3781.0000000              0.809503D-03     
  4   1071.0000000              0.328974D-02     
  5    349.8000000              0.112967D-01     
  6    126.3000000              0.296385D-01     
  7     49.2600000              0.599851D-01     
  8     20.1600000              0.413248D-01     
  9      5.7200000             -0.207474D+00     
 10      2.1820000             -0.392889D+00     
 11      0.4327000              0.632840D+00     
S   1
  1      0.1570000              1.0000000        
S   1
  1      0.0507000              1.0000000        
P   7
  1    399.7000000              0.447541D-02     
  2     94.1900000              0.341708D-01     
  3     29.7500000              0.144250D+00     
  4     10.7700000              0.353928D+00     
  5      4.1190000              0.459085D+00     
  6      1.6250000              0.206383D+00     
  7      0.4726000              0.102141D-01     
P   7
  1    399.7000000             -0.116251D-02     
  2     94.1900000             -0.865664D-02     
  3     29.7500000             -0.390886D-01     
  4     10.7700000             -0.934625D-01     
  5      4.1190000             -0.147994D+00     
  6      1.6250000              0.301904D-01     
  7      0.4726000              0.561573D+00     
P   1
  1      0.1407000              1.0000000        
P   1
  1      0.0399000              1.0000000        
D   1
  1      0.4790000              1.0000000        
D   1
  1      0.1520000              1.0000000        


name: aug-cc-pVDZ
description: VDZ2PD Valence Double Zeta + Polarization + Diffuse
elt: Cl
data:
CHLORINE
S   11
  1 127900.0000000              0.241153D-03     
  2  19170.0000000              0.187095D-02     
  3   4363.0000000              0.970827D-02     
  4   1236.0000000              0.393153D-01     
  5    403.6000000              0.125932D+00     
  6    145.7000000              0.299341D+00     
  7     56.8100000              0.421886D+00     
  8     23.2300000              0.237201D+00     
  9      6.6440000              0.191531D-01     
 10      2.5750000             -0.334792D-02     
 11      0.5371000              0.929883D-03     
S   11
  1 127900.0000000             -0.678922D-04     
  2  19170.0000000             -0.521836D-03     
  3   4363.0000000             -0.276513D-02     
  4   1236.0000000             -0.111537D-01     
  5    403.6000000             -0.385919D-01     
  6    145.7000000             -0.994848D-01     
  7     56.8100000             -0.201392D+00     
  8     23.2300000             -0.130313D+00     
  9      6.6440000              0.509443D+00     
 10      2.5750000              0.610725D+00     
 11      0.5371000              0.421549D-01     
S   11
  1 127900.0000000              0.204986D-04     
  2  19170.0000000              0.158298D-03     
  3   4363.0000000              0.833639D-03     
  4   1236.0000000              0.339880D-02     
  5    403.6000000              0.116738D-01     
  6    145.7000000              0.309622D-01     
  7     56.8100000              0.629533D-01     
  8     23.2300000              0.460257D-01     
  9      6.6440000             -0.219312D+00     
 10      2.5750000             -0.408773D+00     
 11      0.5371000              0.638465D+00     
S   1
  1      0.1938000              1.0000000        
S   1
  1      0.0608000              1.0000000        
P   7
  1    417.6000000              0.525982D-02     
  2     98.3300000              0.398332D-01     
  3     31.0400000              0.164655D+00     
  4     11.1900000              0.387322D+00     
  5      4.2490000              0.457072D+00     
  6      1.6240000              0.151636D+00     
  7      0.5322000              0.181615D-02     
P   7
  1    417.6000000             -0.143570D-02     
  2     98.3300000             -0.107796D-01     
  3     31.0400000             -0.470075D-01     
  4     11.1900000             -0.111030D+00     
  5      4.2490000             -0.153275D+00     
  6      1.6240000              0.894609D-01     
  7      0.5322000              0.579444D+00     
P   1
  1      0.1620000              1.0000000        
P   1
  1      0.0466000              1.0000000        
D   1
  1      0.6000000              1.0000000        
D   1
  1      0.1960000              1.0000000        


name: aug-cc-pVDZ
description: VDZ2PD Valence Double Zeta + Polarization + Diffuse
elt: Ar
data:
ARGON
S   11
  1 145700.0000000              0.236700D-03     
  2  21840.0000000              0.183523D-02     
  3   4972.0000000              0.952860D-02     
  4   1408.0000000              0.386283D-01     
  5    459.7000000              0.124081D+00     
  6    165.9000000              0.296471D+00     
  7     64.6900000              0.422068D+00     
  8     26.4400000              0.241711D+00     
  9      7.6280000              0.200509D-01     
 10      2.9960000             -0.361000D-02     
 11      0.6504000              0.975607D-03     
S   11
  1 145700.0000000             -0.674910D-04     
  2  21840.0000000             -0.518522D-03     
  3   4972.0000000             -0.274825D-02     
  4   1408.0000000             -0.111007D-01     
  5    459.7000000             -0.384820D-01     
  6    165.9000000             -0.997599D-01     
  7     64.6900000             -0.203088D+00     
  8     26.4400000             -0.135608D+00     
  9      7.6280000              0.507195D+00     
 10      2.9960000              0.612898D+00     
 11      0.6504000              0.442968D-01     
S   11
  1 145700.0000000              0.210457D-04     
  2  21840.0000000              0.162565D-03     
  3   4972.0000000              0.855463D-03     
  4   1408.0000000              0.349745D-02     
  5    459.7000000              0.120156D-01     
  6    165.9000000              0.321368D-01     
  7     64.6900000              0.655279D-01     
  8     26.4400000              0.499370D-01     
  9      7.6280000             -0.229769D+00     
 10      2.9960000             -0.421006D+00     
 11      0.6504000              0.642331D+00     
S   1
  1      0.2337000              1.0000000        
S   1
  1      0.0709000              1.0000000        
P   7
  1    453.7000000              0.570555D-02     
  2    106.8000000              0.430460D-01     
  3     33.7300000              0.176591D+00     
  4     12.1300000              0.406863D+00     
  5      4.5940000              0.452549D+00     
  6      1.6780000              0.122801D+00     
  7      0.5909000             -0.445996D-02     
P   7
  1    453.7000000             -0.160655D-02     
  2    106.8000000             -0.121714D-01     
  3     33.7300000             -0.520789D-01     
  4     12.1300000             -0.123737D+00     
  5      4.5940000             -0.151619D+00     
  6      1.6780000              0.142425D+00     
  7      0.5909000              0.584501D+00     
P   1
  1      0.1852000              1.0000000        
P   1
  1      0.0533000              1.0000000        
D   1
  1      0.7380000              1.0000000        
D   1
  1      0.2400000              1.0000000        


name: aug-cc-pVDZ
description: VDZ2PD Valence Double Zeta + Polarization + Diffuse
elt: Sc
data:
SCANDIUM
S   19
  1      2.715278E+06           8.147221E-06     
  2      4.065984E+05           6.334788E-05     
  3      9.253004E+04           3.330384E-04     
  4      2.620792E+04           1.404055E-03     
  5      8.549429E+03           5.081725E-03     
  6      3.085975E+03           1.626926E-02     
  7      1.203172E+03           4.624577E-02     
  8      4.984869E+02           1.137223E-01     
  9      2.167360E+02           2.257636E-01     
 10      9.787476E+01           3.106700E-01     
 11      4.520433E+01           2.191906E-01     
 12      2.021187E+01           7.215879E-02     
 13      9.574751E+00           1.187030E-01     
 14      4.540346E+00           1.220532E-01     
 15      1.995687E+00           2.136795E-02     
 16      9.422150E-01          -5.357246E-04     
 17      4.178450E-01           2.435774E-04     
 18      9.576100E-02          -8.796617E-05     
 19      5.135100E-02           7.878246E-05     
S   19
  1      2.715278E+06          -4.722109E-06     
  2      4.065984E+05          -3.671829E-05     
  3      9.253004E+04          -1.930883E-04     
  4      2.620792E+04          -8.146870E-04     
  5      8.549429E+03          -2.955526E-03     
  6      3.085975E+03          -9.520035E-03     
  7      1.203172E+03          -2.746858E-02     
  8      4.984869E+02          -6.991528E-02     
  9      2.167360E+02          -1.499251E-01     
 10      9.787476E+01          -2.459153E-01     
 11      4.520433E+01          -2.401293E-01     
 12      2.021187E+01           3.567987E-02     
 13      9.574751E+00           4.915023E-01     
 14      4.540346E+00           4.911381E-01     
 15      1.995687E+00           9.120633E-02     
 16      9.422150E-01          -5.356723E-03     
 17      4.178450E-01           8.812836E-04     
 18      9.576100E-02          -7.605536E-04     
 19      5.135100E-02           6.340116E-04     
S   19
  1      2.715278E+06           9.139905E-07     
  2      4.065984E+05           7.108513E-06     
  3      9.253004E+04           3.738126E-05     
  4      2.620792E+04           1.578828E-04     
  5      8.549429E+03           5.737686E-04     
  6      3.085975E+03           1.859244E-03     
  7      1.203172E+03           5.433182E-03     
  8      4.984869E+02           1.425387E-02     
  9      2.167360E+02           3.246144E-02     
 10      9.787476E+01           6.003454E-02     
 11      4.520433E+01           6.916105E-02     
 12      2.021187E+01          -2.113084E-02     
 13      9.574751E+00          -2.666832E-01     
 14      4.540346E+00          -4.367591E-01     
 15      1.995687E+00           6.498243E-02     
 16      9.422150E-01           7.009599E-01     
 17      4.178450E-01           4.515562E-01     
 18      9.576100E-02           3.011910E-02     
 19      5.135100E-02          -1.329480E-02     
S   19
  1      2.715278E+06          -2.201951E-07     
  2      4.065984E+05          -1.711419E-06     
  3      9.253004E+04          -9.008469E-06     
  4      2.620792E+04          -3.799997E-05     
  5      8.549429E+03          -1.383227E-04     
  6      3.085975E+03          -4.473692E-04     
  7      1.203172E+03          -1.310691E-03     
  8      4.984869E+02          -3.429860E-03     
  9      2.167360E+02          -7.847579E-03     
 10      9.787476E+01          -1.447189E-02     
 11      4.520433E+01          -1.690669E-02     
 12      2.021187E+01           5.396115E-03     
 13      9.574751E+00           6.671062E-02     
 14      4.540346E+00           1.178356E-01     
 15      1.995687E+00          -2.738134E-02     
 16      9.422150E-01          -2.260149E-01     
 17      4.178450E-01          -3.073539E-01     
 18      9.576100E-02           2.544054E-01     
 19      5.135100E-02           5.981590E-01     
S   19
  1      2.715278E+06          -3.757238E-07     
  2      4.065984E+05          -2.981907E-06     
  3      9.253004E+04          -1.522586E-05     
  4      2.620792E+04          -6.684686E-05     
  5      8.549429E+03          -2.313129E-04     
  6      3.085975E+03          -7.959729E-04     
  7      1.203172E+03          -2.161961E-03     
  8      4.984869E+02          -6.206459E-03     
  9      2.167360E+02          -1.261905E-02     
 10      9.787476E+01          -2.739459E-02     
 11      4.520433E+01          -2.336516E-02     
 12      2.021187E+01          -5.734627E-03     
 13      9.574751E+00           1.536025E-01     
 14      4.540346E+00           1.447100E-01     
 15      1.995687E+00           9.359699E-02     
 16      9.422150E-01          -8.687730E-01     
 17      4.178450E-01           2.114597E-02     
 18      9.576100E-02           2.275498E+00     
 19      5.135100E-02          -1.190770E+00     
S   1
  1      2.387800E-02           1.0000000        
S   1
  1      1.110000E-02           1.0000000        
P   15
  1      1.059219E+04           4.500000E-05     
  2      2.507533E+03           4.010000E-04     
  3      8.144571E+02           2.302000E-03     
  4      3.115195E+02           1.003700E-02     
  5      1.319617E+02           3.495400E-02     
  6      5.998718E+01           9.790900E-02     
  7      2.866250E+01           2.106800E-01     
  8      1.410851E+01           3.300930E-01     
  9      7.103706E+00           3.310270E-01     
 10      3.609200E+00           1.579600E-01     
 11      1.776070E+00           2.209900E-02     
 12      8.547600E-01          -1.605000E-03     
 13      4.022390E-01          -1.326000E-03     
 14      1.546650E-01          -2.800000E-04     
 15      6.494500E-02           3.400000E-05     
P   15
  1      1.059219E+04          -1.500000E-05     
  2      2.507533E+03          -1.310000E-04     
  3      8.144571E+02          -7.570000E-04     
  4      3.115195E+02          -3.318000E-03     
  5      1.319617E+02          -1.170600E-02     
  6      5.998718E+01          -3.360400E-02     
  7      2.866250E+01          -7.487900E-02     
  8      1.410851E+01          -1.225480E-01     
  9      7.103706E+00          -1.302760E-01     
 10      3.609200E+00           1.459600E-02     
 11      1.776070E+00           3.091840E-01     
 12      8.547600E-01           4.629980E-01     
 13      4.022390E-01           3.049570E-01     
 14      1.546650E-01           5.087800E-02     
 15      6.494500E-02          -4.493000E-03     
P   15
  1      1.059219E+04          -4.000000E-06     
  2      2.507533E+03          -3.200000E-05     
  3      8.144571E+02          -1.850000E-04     
  4      3.115195E+02          -8.080000E-04     
  5      1.319617E+02          -2.870000E-03     
  6      5.998718E+01          -8.207000E-03     
  7      2.866250E+01          -1.847300E-02     
  8      1.410851E+01          -3.010100E-02     
  9      7.103706E+00          -3.294300E-02     
 10      3.609200E+00           7.958000E-03     
 11      1.776070E+00           8.799300E-02     
 12      8.547600E-01           1.523770E-01     
 13      4.022390E-01           9.717000E-02     
 14      1.546650E-01          -2.569380E-01     
 15      6.494500E-02          -5.878150E-01     
P   15
  1      1.059219E+04           4.000000E-06     
  2      2.507533E+03           3.900000E-05     
  3      8.144571E+02           2.210000E-04     
  4      3.115195E+02           9.840000E-04     
  5      1.319617E+02           3.423000E-03     
  6      5.998718E+01           9.993000E-03     
  7      2.866250E+01           2.191600E-02     
  8      1.410851E+01           3.700800E-02     
  9      7.103706E+00           3.779400E-02     
 10      3.609200E+00          -4.379000E-03     
 11      1.776070E+00          -1.101640E-01     
 12      8.547600E-01          -1.610170E-01     
 13      4.022390E-01          -1.824820E-01     
 14      1.546650E-01           3.886110E-01     
 15      6.494500E-02           6.911000E-01     
P   1
  1      2.635900E-02           1.0000000        
P   1
  1      1.066000E-02           1.0000000        
D   7
  1      5.051380E+01           4.266000E-03     
  2      1.474050E+01           2.770800E-02     
  3      5.195000E+00           1.000010E-01     
  4      2.028460E+00           2.315810E-01     
  5      8.040860E-01           3.460330E-01     
  6      3.076890E-01           3.733740E-01     
  7      1.113920E-01           2.642880E-01     
D   7
  1      5.051380E+01          -4.389000E-03     
  2      1.474050E+01          -2.836300E-02     
  3      5.195000E+00          -1.051370E-01     
  4      2.028460E+00          -2.348540E-01     
  5      8.040860E-01          -3.246090E-01     
  6      3.076890E-01          -6.428900E-02     
  7      1.113920E-01           6.017490E-01     
D   1
  1      3.735200E-02           1.0000000        
D   1
  1      1.244000E-02           1.0000000        
F   2
  1      7.126000E-01           3.617450E-01     
  2      1.636000E-01           8.218680E-01     
F   1
  1      4.063000E-02           1.0000000        


name: aug-cc-pVDZ
description: VDZ2PD Valence Double Zeta + Polarization + Diffuse
elt: Ti
data:
TITANIUM
S   19
  1      3.014643E+06           8.060782E-06     
  2      4.514329E+05           6.267518E-05     
  3      1.027338E+05           3.295006E-04     
  4      2.909817E+04           1.389203E-03     
  5      9.492330E+03           5.028469E-03     
  6      3.426346E+03           1.610419E-02     
  7      1.335896E+03           4.581232E-02     
  8      5.535026E+02           1.128613E-01     
  9      2.406925E+02           2.248193E-01     
 10      1.087293E+02           3.114571E-01     
 11      5.026457E+01           2.224995E-01     
 12      2.258004E+01           7.293128E-02     
 13      1.071432E+01           1.160683E-01     
 14      5.093546E+00           1.194774E-01     
 15      2.244183E+00           2.097868E-02     
 16      1.059570E+00          -5.091715E-04     
 17      4.688490E-01           2.217859E-04     
 18      1.061430E-01          -7.636896E-05     
 19      5.526200E-02           7.719539E-05     
S   19
  1      3.014643E+06          -4.630486E-06     
  2      4.514329E+05          -3.600451E-05     
  3      1.027338E+05          -1.893420E-04     
  4      2.909817E+04          -7.988781E-04     
  5      9.492330E+03          -2.898698E-03     
  6      3.426346E+03          -9.339701E-03     
  7      1.335896E+03          -2.697464E-02     
  8      5.535026E+02          -6.878913E-02     
  9      2.406925E+02          -1.481037E-01     
 10      1.087293E+02          -2.445253E-01     
 11      5.026457E+01          -2.419916E-01     
 12      2.258004E+01           3.183790E-02     
 13      1.071432E+01           4.932686E-01     
 14      5.093546E+00           4.939655E-01     
 15      2.244183E+00           9.196313E-02     
 16      1.059570E+00          -5.316992E-03     
 17      4.688490E-01           8.085624E-04     
 18      1.061430E-01          -6.918459E-04     
 19      5.526200E-02           6.086512E-04     
S   19
  1      3.014643E+06           9.230559E-07     
  2      4.514329E+05           7.178974E-06     
  3      1.027338E+05           3.775134E-05     
  4      2.909817E+04           1.594532E-04     
  5      9.492330E+03           5.795150E-04     
  6      3.426346E+03           1.878414E-03     
  7      1.335896E+03           5.492747E-03     
  8      5.535026E+02           1.443297E-02     
  9      2.406925E+02           3.296408E-02     
 10      1.087293E+02           6.125493E-02     
 11      5.026457E+01           7.134113E-02     
 12      2.258004E+01          -1.973150E-02     
 13      1.071432E+01          -2.741869E-01     
 14      5.093546E+00          -4.440977E-01     
 15      2.244183E+00           7.776084E-02     
 16      1.059570E+00           7.068444E-01     
 17      4.688490E-01           4.413892E-01     
 18      1.061430E-01           2.799769E-02     
 19      5.526200E-02          -1.210790E-02     
S   19
  1      3.014643E+06          -2.180323E-07     
  2      4.514329E+05          -1.694860E-06     
  3      1.027338E+05          -8.919208E-06     
  4      2.909817E+04          -3.763633E-05     
  5      9.492330E+03          -1.369575E-04     
  6      3.426346E+03          -4.432894E-04     
  7      1.335896E+03          -1.298868E-03     
  8      5.535026E+02          -3.406752E-03     
  9      2.406925E+02          -7.810829E-03     
 10      1.087293E+02          -1.449245E-02     
 11      5.026457E+01          -1.708136E-02     
 12      2.258004E+01           4.897666E-03     
 13      1.071432E+01           6.753108E-02     
 14      5.093546E+00           1.173318E-01     
 15      2.244183E+00          -2.985025E-02     
 16      1.059570E+00          -2.277634E-01     
 17      4.688490E-01          -2.928115E-01     
 18      1.061430E-01           2.665300E-01     
 19      5.526200E-02           5.912406E-01     
S   19
  1      3.014643E+06          -3.975126E-07     
  2      4.514329E+05          -3.161080E-06     
  3      1.027338E+05          -1.609375E-05     
  4      2.909817E+04          -7.092947E-05     
  5      9.492330E+03          -2.442710E-04     
  6      3.426346E+03          -8.457892E-04     
  7      1.335896E+03          -2.282208E-03     
  8      5.535026E+02          -6.619873E-03     
  9      2.406925E+02          -1.335024E-02     
 10      1.087293E+02          -2.955830E-02     
 11      5.026457E+01          -2.477039E-02     
 12      2.258004E+01          -8.414624E-03     
 13      1.071432E+01           1.693855E-01     
 14      5.093546E+00           1.500787E-01     
 15      2.244183E+00           9.787777E-02     
 16      1.059570E+00          -9.653608E-01     
 17      4.688490E-01           1.489721E-01     
 18      1.061430E-01           2.191179E+00     
 19      5.526200E-02          -1.243325E+00     
S   1
  1      2.546500E-02           1.0000000        
S   1
  1      1.173000E-02           1.0000000        
P   15
  1      1.191203E+04           4.400000E-05     
  2      2.819947E+03           3.910000E-04     
  3      9.159479E+02           2.248000E-03     
  4      3.503842E+02           9.823000E-03     
  5      1.484825E+02           3.433800E-02     
  6      6.753944E+01           9.666600E-02     
  7      3.230332E+01           2.094170E-01     
  8      1.592786E+01           3.301890E-01     
  9      8.038035E+00           3.319360E-01     
 10      4.093916E+00           1.584880E-01     
 11      2.022390E+00           2.231000E-02     
 12      9.761020E-01          -1.566000E-03     
 13      4.595950E-01          -1.324000E-03     
 14      1.771520E-01          -2.710000E-04     
 15      7.351700E-02           3.200000E-05     
P   15
  1      1.191203E+04          -1.500000E-05     
  2      2.819947E+03          -1.310000E-04     
  3      9.159479E+02          -7.550000E-04     
  4      3.503842E+02          -3.319000E-03     
  5      1.484825E+02          -1.175000E-02     
  6      6.753944E+01          -3.392200E-02     
  7      3.230332E+01          -7.616400E-02     
  8      1.592786E+01          -1.257020E-01     
  9      8.038035E+00          -1.330980E-01     
 10      4.093916E+00           1.740600E-02     
 11      2.022390E+00           3.151650E-01     
 12      9.761020E-01           4.618140E-01     
 13      4.595950E-01           2.998560E-01     
 14      1.771520E-01           5.000000E-02     
 15      7.351700E-02          -4.230000E-03     
P   15
  1      1.191203E+04           4.000000E-06     
  2      2.819947E+03           3.100000E-05     
  3      9.159479E+02           1.820000E-04     
  4      3.503842E+02           7.950000E-04     
  5      1.484825E+02           2.833000E-03     
  6      6.753944E+01           8.154000E-03     
  7      3.230332E+01           1.847200E-02     
  8      1.592786E+01           3.040000E-02     
  9      8.038035E+00           3.304700E-02     
 10      4.093916E+00          -8.251000E-03     
 11      2.022390E+00          -8.855400E-02     
 12      9.761020E-01          -1.496120E-01     
 13      4.595950E-01          -9.422700E-02     
 14      1.771520E-01           2.508460E-01     
 15      7.351700E-02           5.866430E-01     
P   15
  1      1.191203E+04           4.000000E-06     
  2      2.819947E+03           3.900000E-05     
  3      9.159479E+02           2.230000E-04     
  4      3.503842E+02           9.920000E-04     
  5      1.484825E+02           3.476000E-03     
  6      6.753944E+01           1.017200E-02     
  7      3.230332E+01           2.257600E-02     
  8      1.592786E+01           3.823800E-02     
  9      8.038035E+00           3.933700E-02     
 10      4.093916E+00          -6.106000E-03     
 11      2.022390E+00          -1.129620E-01     
 12      9.761020E-01          -1.681140E-01     
 13      4.595950E-01          -1.659320E-01     
 14      1.771520E-01           3.914030E-01     
 15      7.351700E-02           6.818400E-01     
P   1
  1      2.940100E-02           1.0000000        
P   1
  1      1.176000E-02           1.0000000        
D   7
  1      6.401300E+01           3.887000E-03     
  2      1.881790E+01           2.639900E-02     
  3      6.728700E+00           9.751100E-02     
  4      2.664130E+00           2.328480E-01     
  5      1.078680E+00           3.531520E-01     
  6      4.232090E-01           3.721860E-01     
  7      1.559990E-01           2.476720E-01     
D   7
  1      6.401300E+01          -3.970000E-03     
  2      1.881790E+01          -2.687300E-02     
  3      6.728700E+00          -1.022750E-01     
  4      2.664130E+00          -2.377280E-01     
  5      1.078680E+00          -3.121140E-01     
  6      4.232090E-01          -4.237800E-02     
  7      1.559990E-01           5.886580E-01     
D   1
  1      5.188400E-02           1.0000000        
D   1
  1      1.726000E-02           1.0000000        
F   2
  1      1.227400E+00           3.581580E-01     
  2      2.788000E-01           8.257940E-01     
F   1
  1      8.266000E-02           1.0000000        


name: aug-cc-pVDZ
description: VDZ2PD Valence Double Zeta + Polarization + Diffuse
elt: V
data:
VANADIUM
S   19
  1      3.321857E+06           8.039999E-06     
  2      4.974356E+05           6.251402E-05     
  3      1.132027E+05           3.286553E-04     
  4      3.206333E+04           1.385697E-03     
  5      1.045962E+04           5.016217E-03     
  6      3.775506E+03           1.606931E-02     
  7      1.472040E+03           4.574242E-02     
  8      6.099331E+02           1.128544E-01     
  9      2.652634E+02           2.254344E-01     
 10      1.198607E+02           3.140461E-01     
 11      5.544891E+01           2.267819E-01     
 12      2.498372E+01           7.334069E-02     
 13      1.188056E+01           1.102474E-01     
 14      5.660311E+00           1.131358E-01     
 15      2.495703E+00           1.971295E-02     
 16      1.177866E+00          -4.719088E-04     
 17      5.200440E-01           1.861606E-04     
 18      1.159650E-01          -6.208598E-05     
 19      5.893800E-02           7.295314E-05     
S   19
  1      3.321857E+06          -4.503003E-06     
  2      4.974356E+05          -3.501295E-05     
  3      1.132027E+05          -1.841339E-04     
  4      3.206333E+04          -7.769216E-04     
  5      1.045962E+04          -2.819505E-03     
  6      3.775506E+03          -9.087486E-03     
  7      1.472040E+03          -2.627134E-02     
  8      6.099331E+02          -6.712726E-02     
  9      2.652634E+02          -1.451130E-01     
 10      1.198607E+02          -2.412483E-01     
 11      5.544891E+01          -2.416314E-01     
 12      2.498372E+01           3.067362E-02     
 13      1.188056E+01           4.970415E-01     
 14      5.660311E+00           4.958875E-01     
 15      2.495703E+00           9.181868E-02     
 16      1.177866E+00          -5.392514E-03     
 17      5.200440E-01           7.102380E-04     
 18      1.159650E-01          -6.363128E-04     
 19      5.893800E-02           5.979932E-04     
S   19
  1      3.321857E+06           9.320648E-07     
  2      4.974356E+05           7.249306E-06     
  3      1.132027E+05           3.811967E-05     
  4      3.206333E+04           1.610238E-04     
  5      1.045962E+04           5.852210E-04     
  6      3.775506E+03           1.897502E-03     
  7      1.472040E+03           5.550909E-03     
  8      6.099331E+02           1.460584E-02     
  9      2.652634E+02           3.342974E-02     
 10      1.198607E+02           6.235722E-02     
 11      5.544891E+01           7.312435E-02     
 12      2.498372E+01          -1.911472E-02     
 13      1.188056E+01          -2.817249E-01     
 14      5.660311E+00          -4.488151E-01     
 15      2.495703E+00           9.202696E-02     
 16      1.177866E+00           7.110117E-01     
 17      5.200440E-01           4.309274E-01     
 18      1.159650E-01           2.604589E-02     
 19      5.893800E-02          -1.101049E-02     
S   19
  1      3.321857E+06          -2.158944E-07     
  2      4.974356E+05          -1.678519E-06     
  3      1.132027E+05          -8.831213E-06     
  4      3.206333E+04          -3.727769E-05     
  5      1.045962E+04          -1.356099E-04     
  6      3.775506E+03          -4.392351E-04     
  7      1.472040E+03          -1.286948E-03     
  8      6.099331E+02          -3.382149E-03     
  9      2.652634E+02          -7.765646E-03     
 10      1.198607E+02          -1.447985E-02     
 11      5.544891E+01          -1.715502E-02     
 12      2.498372E+01           4.610101E-03     
 13      1.188056E+01           6.827831E-02     
 14      5.660311E+00           1.161368E-01     
 15      2.495703E+00          -3.277049E-02     
 16      1.177866E+00          -2.280000E-01     
 17      5.200440E-01          -2.793991E-01     
 18      1.159650E-01           2.771165E-01     
 19      5.893800E-02           5.852999E-01     
S   19
  1      3.321857E+06          -4.093416E-07     
  2      4.974356E+05          -3.258956E-06     
  3      1.132027E+05          -1.656390E-05     
  4      3.206333E+04          -7.316689E-05     
  5      1.045962E+04          -2.512784E-04     
  6      3.775506E+03          -8.732657E-04     
  7      1.472040E+03          -2.347654E-03     
  8      6.099331E+02          -6.853150E-03     
  9      2.652634E+02          -1.376420E-02     
 10      1.198607E+02          -3.084679E-02     
 11      5.544891E+01          -2.562208E-02     
 12      2.498372E+01          -1.005123E-02     
 13      1.188056E+01           1.795330E-01     
 14      5.660311E+00           1.522400E-01     
 15      2.495703E+00           9.483887E-02     
 16      1.177866E+00          -1.014876E+00     
 17      5.200440E-01           2.308810E-01     
 18      1.159650E-01           2.113321E+00     
 19      5.893800E-02          -1.253048E+00     
S   1
  1      2.694600E-02           1.0000000        
S   1
  1      1.232000E-02           1.0000000        
P   15
  1      1.327320E+04           4.300000E-05     
  2      3.142126E+03           3.840000E-04     
  3      1.020588E+03           2.210000E-03     
  4      3.904407E+02           9.678000E-03     
  5      1.655043E+02           3.393600E-02     
  6      7.532006E+01           9.591700E-02     
  7      3.605503E+01           2.088530E-01     
  8      1.780436E+01           3.306600E-01     
  9      9.002929E+00           3.323120E-01     
 10      4.594544E+00           1.581880E-01     
 11      2.276760E+00           2.225200E-02     
 12      1.101178E+00          -1.565000E-03     
 13      5.186380E-01          -1.353000E-03     
 14      2.005650E-01          -2.650000E-04     
 15      8.129100E-02           2.900000E-05     
P   15
  1      1.327320E+04          -1.500000E-05     
  2      3.142126E+03          -1.310000E-04     
  3      1.020588E+03          -7.550000E-04     
  4      3.904407E+02          -3.325000E-03     
  5      1.655043E+02          -1.181100E-02     
  6      7.532006E+01          -3.425600E-02     
  7      3.605503E+01          -7.736300E-02     
  8      1.780436E+01          -1.284560E-01     
  9      9.002929E+00          -1.350780E-01     
 10      4.594544E+00           2.083800E-02     
 11      2.276760E+00           3.204990E-01     
 12      1.101178E+00           4.602600E-01     
 13      5.186380E-01           2.953460E-01     
 14      2.005650E-01           4.904600E-02     
 15      8.129100E-02          -3.824000E-03     
P   15
  1      1.327320E+04           4.000000E-06     
  2      3.142126E+03           3.200000E-05     
  3      1.020588E+03           1.830000E-04     
  4      3.904407E+02           8.020000E-04     
  5      1.655043E+02           2.862000E-03     
  6      7.532006E+01           8.287000E-03     
  7      3.605503E+01           1.887000E-02     
  8      1.780436E+01           3.130700E-02     
  9      9.002929E+00           3.366000E-02     
 10      4.594544E+00          -9.479000E-03     
 11      2.276760E+00          -9.231300E-02     
 12      1.101178E+00          -1.489890E-01     
 13      5.186380E-01          -8.364400E-02     
 14      2.005650E-01           2.493390E-01     
 15      8.129100E-02           5.805150E-01     
P   15
  1      1.327320E+04           4.000000E-06     
  2      3.142126E+03           3.900000E-05     
  3      1.020588E+03           2.230000E-04     
  4      3.904407E+02           9.960000E-04     
  5      1.655043E+02           3.498000E-03     
  6      7.532006E+01           1.029600E-02     
  7      3.605503E+01           2.296200E-02     
  8      1.780436E+01           3.920800E-02     
  9      9.002929E+00           3.994300E-02     
 10      4.594544E+00          -7.121000E-03     
 11      2.276760E+00          -1.162250E-01     
 12      1.101178E+00          -1.694960E-01     
 13      5.186380E-01          -1.553740E-01     
 14      2.005650E-01           3.950220E-01     
 15      8.129100E-02           6.789080E-01     
P   1
  1      3.179500E-02           1.0000000        
P   1
  1      1.244000E-02           1.0000000        
D   7
  1      7.761150E+01           3.595000E-03     
  2      2.291590E+01           2.521000E-02     
  3      8.279540E+00           9.478600E-02     
  4      3.309930E+00           2.303630E-01     
  5      1.358630E+00           3.528940E-01     
  6      5.413500E-01           3.704140E-01     
  7      2.023560E-01           2.457180E-01     
D   7
  1      7.761150E+01          -3.818000E-03     
  2      2.291590E+01          -2.671700E-02     
  3      8.279540E+00          -1.036900E-01     
  4      3.309930E+00          -2.476890E-01     
  5      1.358630E+00          -3.115230E-01     
  6      5.413500E-01          -2.282700E-02     
  7      2.023560E-01           5.697260E-01     
D   1
  1      6.756800E-02           1.0000000        
D   1
  1      2.256000E-02           1.0000000        
F   2
  1      1.748800E+00           3.900680E-01     
  2      4.057000E-01           8.008410E-01     
F   1
  1      1.311200E-01           1.0000000        


name: aug-cc-pVDZ
description: VDZ2PD Valence Double Zeta + Polarization + Diffuse
elt: Cr
data:
CHROMIUM
S   19
  1      6.177194E+06           4.128667E-06     
  2      9.249295E+05           3.210767E-05     
  3      2.104865E+05           1.688416E-04     
  4      5.962005E+04           7.128520E-04     
  5      1.945076E+04           2.589325E-03     
  6      7.022056E+03           8.377350E-03     
  7      2.738763E+03           2.441725E-02     
  8      1.135814E+03           6.365135E-02     
  9      4.950923E+02           1.427618E-01     
 10      2.247487E+02           2.541275E-01     
 11      1.053836E+02           3.009512E-01     
 12      5.019359E+01           1.766513E-01     
 13      2.224957E+01           6.936709E-02     
 14      1.098265E+01           1.179579E-01     
 15      5.383665E+00           8.916187E-02     
 16      2.343685E+00           1.103630E-02     
 17      1.105202E+00          -3.546048E-04     
 18      4.878480E-01           1.057311E-04     
 19      8.959900E-02           1.114640E-05     
S   19
  1      6.177194E+06          -2.301772E-06     
  2      9.249295E+05          -1.789536E-05     
  3      2.104865E+05          -9.416174E-05     
  4      5.962005E+04          -3.975074E-04     
  5      1.945076E+04          -1.447025E-03     
  6      7.022056E+03          -4.694622E-03     
  7      2.738763E+03          -1.382387E-02     
  8      1.135814E+03          -3.674643E-02     
  9      4.950923E+02          -8.647185E-02     
 10      2.247487E+02          -1.696735E-01     
 11      1.053836E+02          -2.507089E-01     
 12      5.019359E+01          -1.961156E-01     
 13      2.224957E+01           1.457244E-01     
 14      1.098265E+01           5.466706E-01     
 15      5.383665E+00           3.979434E-01     
 16      2.343685E+00           5.277007E-02     
 17      1.105202E+00          -4.374537E-03     
 18      4.878480E-01           3.204035E-04     
 19      8.959900E-02          -5.142077E-05     
S   19
  1      6.177194E+06           4.862957E-07     
  2      9.249295E+05           3.776645E-06     
  3      2.104865E+05           1.990664E-05     
  4      5.962005E+04           8.389164E-05     
  5      1.945076E+04           3.065706E-04     
  6      7.022056E+03           9.944107E-04     
  7      2.738763E+03           2.961959E-03     
  8      1.135814E+03           7.969473E-03     
  9      4.950923E+02           1.955017E-02     
 10      2.247487E+02           4.085035E-02     
 11      1.053836E+02           6.929003E-02     
 12      5.019359E+01           6.146984E-02     
 13      2.224957E+01          -6.981302E-02     
 14      1.098265E+01          -3.517597E-01     
 15      5.383665E+00          -3.828629E-01     
 16      2.343685E+00           2.676401E-01     
 17      1.105202E+00           7.175950E-01     
 18      4.878480E-01           3.020814E-01     
 19      8.959900E-02           7.749514E-03     
S   19
  1      6.177194E+06          -1.102451E-07     
  2      9.249295E+05          -8.530233E-07     
  3      2.104865E+05          -4.520358E-06     
  4      5.962005E+04          -1.891612E-05     
  5      1.945076E+04          -6.974344E-05     
  6      7.022056E+03          -2.237867E-04     
  7      2.738763E+03          -6.754503E-04     
  8      1.135814E+03          -1.789346E-03     
  9      4.950923E+02          -4.477858E-03     
 10      2.247487E+02          -9.140144E-03     
 11      1.053836E+02          -1.610562E-02     
 12      5.019359E+01          -1.334870E-02     
 13      2.224957E+01           1.426027E-02     
 14      1.098265E+01           8.931690E-02     
 15      5.383665E+00           8.885279E-02     
 16      2.343685E+00          -6.368776E-02     
 17      1.105202E+00          -2.783262E-01     
 18      4.878480E-01          -1.830071E-01     
 19      8.959900E-02           6.790937E-01     
S   19
  1      6.177194E+06           2.179893E-07     
  2      9.249295E+05           1.612940E-06     
  3      2.104865E+05           9.111842E-06     
  4      5.962005E+04           3.500645E-05     
  5      1.945076E+04           1.435315E-04     
  6      7.022056E+03           4.035896E-04     
  7      2.738763E+03           1.425177E-03     
  8      1.135814E+03           3.114009E-03     
  9      4.950923E+02           9.814449E-03     
 10      2.247487E+02           1.474698E-02     
 11      1.053836E+02           3.911512E-02     
 12      5.019359E+01           9.170888E-03     
 13      2.224957E+01           1.559878E-02     
 14      1.098265E+01          -2.816844E-01     
 15      5.383665E+00          -6.895261E-03     
 16      2.343685E+00          -1.769781E-01     
 17      1.105202E+00           1.443061E+00     
 18      4.878480E-01          -1.029318E+00     
 19      8.959900E-02          -1.307667E+00     
S   1
  1      3.342300E-02           1.0000000        
S   1
  1      1.247000E-02           1.0000000        
P   15
  1      1.445420E+04           4.400000E-05     
  2      3.421676E+03           3.890000E-04     
  3      1.111387E+03           2.241000E-03     
  4      4.251918E+02           9.821000E-03     
  5      1.802623E+02           3.447100E-02     
  6      8.206117E+01           9.746000E-02     
  7      3.929726E+01           2.119850E-01     
  8      1.941959E+01           3.339900E-01     
  9      9.828899E+00           3.301370E-01     
 10      5.016810E+00           1.522270E-01     
 11      2.487091E+00           2.042500E-02     
 12      1.198780E+00          -1.360000E-03     
 13      5.586950E-01          -1.195000E-03     
 14      2.089240E-01          -1.970000E-04     
 15      8.460800E-02           2.300000E-05     
P   15
  1      1.445420E+04          -1.500000E-05     
  2      3.421676E+03          -1.350000E-04     
  3      1.111387E+03          -7.770000E-04     
  4      4.251918E+02          -3.427000E-03     
  5      1.802623E+02          -1.218900E-02     
  6      8.206117E+01          -3.538800E-02     
  7      3.929726E+01          -7.991500E-02     
  8      1.941959E+01          -1.323350E-01     
  9      9.828899E+00          -1.354010E-01     
 10      5.016810E+00           3.200800E-02     
 11      2.487091E+00           3.338490E-01     
 12      1.198780E+00           4.617730E-01     
 13      5.586950E-01           2.812900E-01     
 14      2.089240E-01           4.184300E-02     
 15      8.460800E-02          -4.002000E-03     
P   15
  1      1.445420E+04           4.000000E-06     
  2      3.421676E+03           3.200000E-05     
  3      1.111387E+03           1.850000E-04     
  4      4.251918E+02           8.100000E-04     
  5      1.802623E+02           2.906000E-03     
  6      8.206117E+01           8.391000E-03     
  7      3.929726E+01           1.919300E-02     
  8      1.941959E+01           3.156400E-02     
  9      9.828899E+00           3.341700E-02     
 10      5.016810E+00          -1.290700E-02     
 11      2.487091E+00          -9.365900E-02     
 12      1.198780E+00          -1.499770E-01     
 13      5.586950E-01          -6.723400E-02     
 14      2.089240E-01           2.707590E-01     
 15      8.460800E-02           5.758070E-01     
P   15
  1      1.445420E+04           4.000000E-06     
  2      3.421676E+03           4.000000E-05     
  3      1.111387E+03           2.290000E-04     
  4      4.251918E+02           1.019000E-03     
  5      1.802623E+02           3.602000E-03     
  6      8.206117E+01           1.055000E-02     
  7      3.929726E+01           2.370200E-02     
  8      1.941959E+01           3.998800E-02     
  9      9.828899E+00           4.043700E-02     
 10      5.016810E+00          -1.207400E-02     
 11      2.487091E+00          -1.189390E-01     
 12      1.198780E+00          -1.781000E-01     
 13      5.586950E-01          -1.238650E-01     
 14      2.089240E-01           4.297220E-01     
 15      8.460800E-02           6.507860E-01     
P   1
  1      3.325800E-02           1.0000000        
P   1
  1      1.307000E-02           1.0000000        
D   7
  1      8.857680E+01           3.621000E-03     
  2      2.620450E+01           2.576600E-02     
  3      9.517470E+00           9.755600E-02     
  4      3.822480E+00           2.363120E-01     
  5      1.575120E+00           3.582860E-01     
  6      6.289280E-01           3.685430E-01     
  7      2.344240E-01           2.354940E-01     
D   7
  1      8.857680E+01          -4.122000E-03     
  2      2.620450E+01          -2.930700E-02     
  3      9.517470E+00          -1.150620E-01     
  4      3.822480E+00          -2.730680E-01     
  5      1.575120E+00          -3.144230E-01     
  6      6.289280E-01           4.209700E-02     
  7      2.344240E-01           5.914030E-01     
D   1
  1      7.681500E-02           1.0000000        
D   1
  1      2.517000E-02           1.0000000        
F   2
  1      2.221100E+00           4.235450E-01     
  2      5.231000E-01           7.741140E-01     
F   1
  1      1.763600E-01           1.0000000        


name: aug-cc-pVDZ
description: VDZ2PD Valence Double Zeta + Polarization + Diffuse
elt: Mn
data:
MANGANESE
S   19
  1      3.960805E+06           8.242127E-06     
  2      5.931155E+05           6.408587E-05     
  3      1.349768E+05           3.369253E-04     
  4      3.823067E+04           1.420648E-03     
  5      1.247154E+04           5.143683E-03     
  6      4.501743E+03           1.648569E-02     
  7      1.755212E+03           4.698560E-02     
  8      7.273039E+02           1.162437E-01     
  9      3.163678E+02           2.335277E-01     
 10      1.430098E+02           3.292837E-01     
 11      6.621805E+01           2.440304E-01     
 12      2.991896E+01           7.219806E-02     
 13      1.430318E+01           7.687806E-02     
 14      6.839451E+00           7.852235E-02     
 15      3.012374E+00           1.294109E-02     
 16      1.418808E+00          -3.784873E-04     
 17      6.236240E-01          -2.503203E-05     
 18      1.340980E-01          -2.421517E-05     
 19      6.554800E-02           3.462071E-05     
S   19
  1      3.960805E+06          -3.936095E-06     
  2      5.931155E+05          -3.060481E-05     
  3      1.349768E+05          -1.609626E-04     
  4      3.823067E+04          -6.792348E-04     
  5      1.247154E+04          -2.466182E-03     
  6      4.501743E+03          -7.957629E-03     
  7      1.755212E+03          -2.307248E-02     
  8      7.273039E+02          -5.932956E-02     
  9      3.163678E+02          -1.299451E-01     
 10      1.430098E+02          -2.212352E-01     
 11      6.621805E+01          -2.292550E-01     
 12      2.991896E+01           3.580733E-02     
 13      1.430318E+01           5.107602E-01     
 14      6.839451E+00           5.008307E-01     
 15      3.012374E+00           9.011830E-02     
 16      1.418808E+00          -6.909909E-03     
 17      6.236240E-01          -1.912925E-04     
 18      1.340980E-01          -6.032312E-04     
 19      6.554800E-02           5.621608E-04     
S   19
  1      3.960805E+06           9.462709E-07     
  2      5.931155E+05           7.360584E-06     
  3      1.349768E+05           3.869935E-05     
  4      3.823067E+04           1.635110E-04     
  5      1.247154E+04           5.941775E-04     
  6      4.501743E+03           1.927737E-03     
  7      1.755212E+03           5.641731E-03     
  8      7.273039E+02           1.487848E-02     
  9      3.163678E+02           3.414783E-02     
 10      1.430098E+02           6.405794E-02     
 11      6.621805E+01           7.557659E-02     
 12      2.991896E+01          -1.946070E-02     
 13      1.430318E+01          -2.957874E-01     
 14      6.839451E+00          -4.521170E-01     
 15      3.012374E+00           1.224531E-01     
 16      1.418808E+00           7.169756E-01     
 17      6.236240E-01           4.092712E-01     
 18      1.340980E-01           2.221969E-02     
 19      6.554800E-02          -9.011202E-03     
S   19
  1      3.960805E+06          -2.095391E-07     
  2      5.931155E+05          -1.629439E-06     
  3      1.349768E+05          -8.570592E-06     
  4      3.823067E+04          -3.619272E-05     
  5      1.247154E+04          -1.316146E-04     
  6      4.501743E+03          -4.266810E-04     
  7      1.755212E+03          -1.250270E-03     
  8      7.273039E+02          -3.294665E-03     
  9      3.163678E+02          -7.581860E-03     
 10      1.430098E+02          -1.422864E-02     
 11      6.621805E+01          -1.693796E-02     
 12      2.991896E+01           4.454298E-03     
 13      1.430318E+01           6.867042E-02     
 14      6.839451E+00           1.113335E-01     
 15      3.012374E+00          -3.900820E-02     
 16      1.418808E+00          -2.215755E-01     
 17      6.236240E-01          -2.544359E-01     
 18      1.340980E-01           2.865866E-01     
 19      6.554800E-02           5.755741E-01     
S   19
  1      3.960805E+06          -4.121231E-07     
  2      5.931155E+05          -3.282099E-06     
  3      1.349768E+05          -1.667433E-05     
  4      3.823067E+04          -7.369999E-05     
  5      1.247154E+04          -2.529495E-04     
  6      4.501743E+03          -8.801425E-04     
  7      1.755212E+03          -2.365482E-03     
  8      7.273039E+02          -6.926354E-03     
  9      3.163678E+02          -1.393851E-02     
 10      1.430098E+02          -3.143840E-02     
 11      6.621805E+01          -2.625749E-02     
 12      2.991896E+01          -1.048313E-02     
 13      1.430318E+01           1.856472E-01     
 14      6.839451E+00           1.524839E-01     
 15      3.012374E+00           7.411368E-02     
 16      1.418808E+00          -1.018097E+00     
 17      6.236240E-01           2.980372E-01     
 18      1.340980E-01           1.971989E+00     
 19      6.554800E-02          -1.179253E+00     
S   1
  1      2.958400E-02           1.0000000        
S   1
  1      1.335000E-02           1.0000000        
P   15
  1      1.620586E+04           4.200000E-05     
  2      3.836274E+03           3.730000E-04     
  3      1.246048E+03           2.149000E-03     
  4      4.767535E+02           9.445000E-03     
  5      2.021895E+02           3.329700E-02     
  6      9.209487E+01           9.475900E-02     
  7      4.414720E+01           2.081440E-01     
  8      2.185468E+01           3.318050E-01     
  9      1.108596E+01           3.331750E-01     
 10      5.674108E+00           1.576010E-01     
 11      2.823170E+00           2.144500E-02     
 12      1.368621E+00          -2.558000E-03     
 13      6.444310E-01          -2.027000E-03     
 14      2.483820E-01          -3.600000E-04     
 15      9.725500E-02           3.400000E-05     
P   15
  1      1.620586E+04          -1.500000E-05     
  2      3.836274E+03          -1.290000E-04     
  3      1.246048E+03          -7.480000E-04     
  4      4.767535E+02          -3.308000E-03     
  5      2.021895E+02          -1.181100E-02     
  6      9.209487E+01          -3.453300E-02     
  7      4.414720E+01          -7.878500E-02     
  8      2.185468E+01          -1.321830E-01     
  9      1.108596E+01          -1.371950E-01     
 10      5.674108E+00           2.707500E-02     
 11      2.823170E+00           3.288910E-01     
 12      1.368621E+00           4.572800E-01     
 13      6.444310E-01           2.889080E-01     
 14      2.483820E-01           4.743300E-02     
 15      9.725500E-02          -3.522000E-03     
P   15
  1      1.620586E+04           3.000000E-06     
  2      3.836274E+03           3.000000E-05     
  3      1.246048E+03           1.720000E-04     
  4      4.767535E+02           7.620000E-04     
  5      2.021895E+02           2.726000E-03     
  6      9.209487E+01           7.976000E-03     
  7      4.414720E+01           1.828700E-02     
  8      2.185468E+01           3.077600E-02     
  9      1.108596E+01           3.237300E-02     
 10      5.674108E+00          -9.978000E-03     
 11      2.823170E+00          -9.052900E-02     
 12      1.368621E+00          -1.380040E-01     
 13      6.444310E-01          -7.796500E-02     
 14      2.483820E-01           2.295600E-01     
 15      9.725500E-02           5.761220E-01     
P   15
  1      1.620586E+04           4.000000E-06     
  2      3.836274E+03           4.000000E-05     
  3      1.246048E+03           2.260000E-04     
  4      4.767535E+02           1.013000E-03     
  5      2.021895E+02           3.575000E-03     
  6      9.209487E+01           1.061200E-02     
  7      4.414720E+01           2.390200E-02     
  8      2.185468E+01           4.127900E-02     
  9      1.108596E+01           4.147500E-02     
 10      5.674108E+00          -9.458000E-03     
 11      2.823170E+00          -1.236950E-01     
 12      1.368621E+00          -1.743920E-01     
 13      6.444310E-01          -1.291700E-01     
 14      2.483820E-01           4.003480E-01     
 15      9.725500E-02           6.696460E-01     
P   1
  1      3.663300E-02           1.0000000        
P   1
  1      1.380000E-02           1.0000000        
D   7
  1      1.006630E+02           3.579000E-03     
  2      2.983360E+01           2.582700E-02     
  3      1.088940E+01           9.855900E-02     
  4      4.393580E+00           2.383270E-01     
  5      1.817820E+00           3.587070E-01     
  6      7.278270E-01           3.650920E-01     
  7      2.712950E-01           2.337380E-01     
D   7
  1      1.006630E+02          -3.454000E-03     
  2      2.983360E+01          -2.492500E-02     
  3      1.088940E+01          -9.763500E-02     
  4      4.393580E+00          -2.366920E-01     
  5      1.817820E+00          -2.923500E-01     
  6      7.278270E-01          -4.973000E-03     
  7      2.712950E-01           5.065880E-01     
D   1
  1      8.830900E-02           1.0000000        
D   1
  1      2.875000E-02           1.0000000        
F   2
  1      2.703200E+00           4.267760E-01     
  2      6.438000E-01           7.697990E-01     
F   1
  1      2.226000E-01           1.0000000        


name: aug-cc-pVDZ
description: VDZ2PD Valence Double Zeta + Polarization + Diffuse
elt: Fe
data:
IRON
S   19
  1      4.316265E+06           8.048803E-06     
  2      6.463424E+05           6.258306E-05     
  3      1.470897E+05           3.290239E-04     
  4      4.166152E+04           1.387355E-03     
  5      1.359077E+04           5.023256E-03     
  6      4.905750E+03           1.610140E-02     
  7      1.912746E+03           4.590034E-02     
  8      7.926043E+02           1.136154E-01     
  9      3.448065E+02           2.283869E-01     
 10      1.558999E+02           3.221159E-01     
 11      7.223091E+01           2.383661E-01     
 12      3.272506E+01           7.404667E-02     
 13      1.566762E+01           9.214197E-02     
 14      7.503483E+00           9.339790E-02     
 15      3.312223E+00           1.573965E-02     
 16      1.558471E+00          -4.186682E-04     
 17      6.839140E-01           5.376318E-05     
 18      1.467570E-01          -3.816654E-05     
 19      7.058300E-02           4.319603E-05     
S   19
  1      4.316265E+06          -4.155954E-06     
  2      6.463424E+05          -3.231401E-05     
  3      1.470897E+05          -1.699525E-04     
  4      4.166152E+04          -7.171369E-04     
  5      1.359077E+04          -2.603625E-03     
  6      4.905750E+03          -8.399109E-03     
  7      1.912746E+03          -2.434109E-02     
  8      7.926043E+02          -6.251948E-02     
  9      3.448065E+02          -1.365929E-01     
 10      1.558999E+02          -2.312707E-01     
 11      7.223091E+01          -2.383734E-01     
 12      3.272506E+01           3.123837E-02     
 13      1.566762E+01           5.086818E-01     
 14      7.503483E+00           4.987695E-01     
 15      3.312223E+00           9.033552E-02     
 16      1.558471E+00          -6.005337E-03     
 17      6.839140E-01           2.312454E-04     
 18      1.467570E-01          -5.643680E-04     
 19      7.058300E-02           4.992260E-04     
S   19
  1      4.316265E+06           9.532178E-07     
  2      6.463424E+05           7.414605E-06     
  3      1.470897E+05           3.898393E-05     
  4      4.166152E+04           1.647152E-04     
  5      1.359077E+04           5.985980E-04     
  6      4.905750E+03           1.942390E-03     
  7      1.912746E+03           5.687237E-03     
  8      7.926043E+02           1.501329E-02     
  9      3.448065E+02           3.452455E-02     
 10      1.558999E+02           6.495820E-02     
 11      7.223091E+01           7.716194E-02     
 12      3.272506E+01          -1.873411E-02     
 13      1.566762E+01          -3.009185E-01     
 14      7.503483E+00          -4.554661E-01     
 15      3.312223E+00           1.286463E-01     
 16      1.558471E+00           7.183316E-01     
 17      6.839140E-01           4.051743E-01     
 18      1.467570E-01           2.168227E-02     
 19      7.058300E-02          -8.343566E-03     
S   19
  1      4.316265E+06          -2.063008E-07     
  2      6.463424E+05          -1.604169E-06     
  3      1.470897E+05          -8.438437E-06     
  4      4.166152E+04          -3.563151E-05     
  5      1.359077E+04          -1.295998E-04     
  6      4.905750E+03          -4.201534E-04     
  7      1.912746E+03          -1.231954E-03     
  8      7.926043E+02          -3.248922E-03     
  9      3.448065E+02          -7.493717E-03     
 10      1.558999E+02          -1.410102E-02     
 11      7.223091E+01          -1.691600E-02     
 12      3.272506E+01           4.218996E-03     
 13      1.566762E+01           6.833810E-02     
 14      7.503483E+00           1.098201E-01     
 15      3.312223E+00          -4.009005E-02     
 16      1.558471E+00          -2.174739E-01     
 17      6.839140E-01          -2.465135E-01     
 18      1.467570E-01           2.731435E-01     
 19      7.058300E-02           5.748321E-01     
S   19
  1      4.316265E+06          -4.009367E-07     
  2      6.463424E+05          -3.189255E-06     
  3      1.470897E+05          -1.623079E-05     
  4      4.166152E+04          -7.157920E-05     
  5      1.359077E+04          -2.463958E-04     
  6      4.905750E+03          -8.544907E-04     
  7      1.912746E+03          -2.307593E-03     
  8      7.926043E+02          -6.728292E-03     
  9      3.448065E+02          -1.366165E-02     
 10      1.558999E+02          -3.062240E-02     
 11      7.223091E+01          -2.631137E-02     
 12      3.272506E+01          -9.760183E-03     
 13      1.566762E+01           1.801906E-01     
 14      7.503483E+00           1.529634E-01     
 15      3.312223E+00           5.505413E-02     
 16      1.558471E+00          -9.551364E-01     
 17      6.839140E-01           2.586813E-01     
 18      1.467570E-01           1.834049E+00     
 19      7.058300E-02          -9.333240E-01     
S   1
  1      3.144900E-02           1.0000000        
S   1
  1      1.401000E-02           1.0000000        
P   15
  1      1.774569E+04           4.100000E-05     
  2      4.200721E+03           3.690000E-04     
  3      1.364429E+03           2.129000E-03     
  4      5.220806E+02           9.369000E-03     
  5      2.214595E+02           3.309700E-02     
  6      1.009096E+02           9.443100E-02     
  7      4.840115E+01           2.080770E-01     
  8      2.398536E+01           3.323330E-01     
  9      1.218250E+01           3.329870E-01     
 10      6.242298E+00           1.568430E-01     
 11      3.110944E+00           2.154900E-02     
 12      1.509958E+00          -2.095000E-03     
 13      7.108450E-01          -1.739000E-03     
 14      2.731900E-01          -3.000000E-04     
 15      1.042330E-01           2.900000E-05     
P   15
  1      1.774569E+04          -1.500000E-05     
  2      4.200721E+03          -1.300000E-04     
  3      1.364429E+03          -7.510000E-04     
  4      5.220806E+02          -3.329000E-03     
  5      2.214595E+02          -1.191200E-02     
  6      1.009096E+02          -3.493300E-02     
  7      4.840115E+01          -7.998900E-02     
  8      2.398536E+01          -1.346360E-01     
  9      1.218250E+01          -1.385980E-01     
 10      6.242298E+00           3.027800E-02     
 11      3.110944E+00           3.332160E-01     
 12      1.509958E+00           4.561530E-01     
 13      7.108450E-01           2.850510E-01     
 14      2.731900E-01           4.614400E-02     
 15      1.042330E-01          -3.249000E-03     
P   15
  1      1.774569E+04           3.000000E-06     
  2      4.200721E+03           2.900000E-05     
  3      1.364429E+03           1.650000E-04     
  4      5.220806E+02           7.340000E-04     
  5      2.214595E+02           2.626000E-03     
  6      1.009096E+02           7.725000E-03     
  7      4.840115E+01           1.773300E-02     
  8      2.398536E+01           3.005500E-02     
  9      1.218250E+01           3.109400E-02     
 10      6.242298E+00          -1.004800E-02     
 11      3.110944E+00          -8.830600E-02     
 12      1.509958E+00          -1.298240E-01     
 13      7.108450E-01          -7.693700E-02     
 14      2.731900E-01           2.126610E-01     
 15      1.042330E-01           5.730610E-01     
P   15
  1      1.774569E+04           5.000000E-06     
  2      4.200721E+03           4.200000E-05     
  3      1.364429E+03           2.410000E-04     
  4      5.220806E+02           1.085000E-03     
  5      2.214595E+02           3.831000E-03     
  6      1.009096E+02           1.142300E-02     
  7      4.840115E+01           2.579200E-02     
  8      2.398536E+01           4.481800E-02     
  9      1.218250E+01           4.459800E-02     
 10      6.242298E+00          -1.117700E-02     
 11      3.110944E+00          -1.381340E-01     
 12      1.509958E+00          -1.882850E-01     
 13      7.108450E-01          -1.073990E-01     
 14      2.731900E-01           4.448630E-01     
 15      1.042330E-01           6.402390E-01     
P   1
  1      3.829100E-02           1.0000000        
P   1
  1      1.407000E-02           1.0000000        
D   7
  1      1.133440E+02           3.530000E-03     
  2      3.364140E+01           2.578400E-02     
  3      1.233100E+01           9.911900E-02     
  4      4.994780E+00           2.390730E-01     
  5      2.072800E+00           3.571990E-01     
  6      8.307530E-01           3.621880E-01     
  7      3.091780E-01           2.364610E-01     
D   7
  1      1.133440E+02          -3.890000E-03     
  2      3.364140E+01          -2.844200E-02     
  3      1.233100E+01          -1.124290E-01     
  4      4.994780E+00          -2.742570E-01     
  5      2.072800E+00          -3.155460E-01     
  6      8.307530E-01           5.710900E-02     
  7      3.091780E-01           5.636040E-01     
D   1
  1      1.001300E-01           1.0000000        
D   1
  1      3.243000E-02           1.0000000        
F   2
  1      3.224300E+00           4.222490E-01     
  2      7.758000E-01           7.714680E-01     
F   1
  1      2.749000E-01           1.0000000        


name: aug-cc-pVDZ
description: VDZ2PD Valence Double Zeta + Polarization + Diffuse
elt: Co
data:
COBALT
S   19
  1      4.675675E+06           7.979026E-06     
  2      7.001615E+05           6.204071E-05     
  3      1.593373E+05           3.261735E-04     
  4      4.513046E+04           1.375360E-03     
  5      1.472238E+04           4.979997E-03     
  6      5.314222E+03           1.596434E-02     
  7      2.072018E+03           4.552086E-02     
  8      8.586188E+02           1.127385E-01     
  9      3.735497E+02           2.268262E-01     
 10      1.689229E+02           3.203074E-01     
 11      7.829639E+01           2.374021E-01     
 12      3.552123E+01           7.477686E-02     
 13      1.704144E+01           9.581872E-02     
 14      8.173000E+00           9.649911E-02     
 15      3.610318E+00           1.623362E-02     
 16      1.697047E+00          -4.535497E-04     
 17      7.435320E-01           5.113519E-05     
 18      1.583440E-01          -4.174508E-05     
 19      7.503600E-02           4.027577E-05     
S   19
  1      4.675675E+06          -4.200240E-06     
  2      7.001615E+05          -3.265831E-05     
  3      1.593373E+05          -1.717644E-04     
  4      4.513046E+04          -7.247853E-04     
  5      1.472238E+04          -2.631462E-03     
  6      5.314222E+03          -8.489272E-03     
  7      2.072018E+03          -2.460619E-02     
  8      8.586188E+02          -6.322059E-02     
  9      3.735497E+02          -1.381957E-01     
 10      1.689229E+02          -2.340680E-01     
 11      7.829639E+01          -2.415002E-01     
 12      3.552123E+01           3.035312E-02     
 13      1.704144E+01           5.101341E-01     
 14      8.173000E+00           4.974939E-01     
 15      3.610318E+00           8.970746E-02     
 16      1.697047E+00          -5.941034E-03     
 17      7.435320E-01           2.175362E-04     
 18      1.583440E-01          -5.480155E-04     
 19      7.503600E-02           4.525804E-04     
S   19
  1      4.675675E+06           9.592692E-07     
  2      7.001615E+05           7.461851E-06     
  3      1.593373E+05           3.923137E-05     
  4      4.513046E+04           1.657706E-04     
  5      1.472238E+04           6.024335E-04     
  6      5.314222E+03           1.955217E-03     
  7      2.072018E+03           5.726326E-03     
  8      8.586188E+02           1.512984E-02     
  9      3.735497E+02           3.483973E-02     
 10      1.689229E+02           6.570351E-02     
 11      7.829639E+01           7.831503E-02     
 12      3.552123E+01          -1.877037E-02     
 13      1.704144E+01          -3.062663E-01     
 14      8.173000E+00          -4.566429E-01     
 15      3.610318E+00           1.378169E-01     
 16      1.697047E+00           7.193676E-01     
 17      7.435320E-01           3.992579E-01     
 18      1.583440E-01           2.079933E-02     
 19      7.503600E-02          -7.820663E-03     
S   19
  1      4.675675E+06          -2.028840E-07     
  2      7.001615E+05          -1.577580E-06     
  3      1.593373E+05          -8.298813E-06     
  4      4.513046E+04          -3.504154E-05     
  5      1.472238E+04          -1.274655E-04     
  6      5.314222E+03          -4.132695E-04     
  7      2.072018E+03          -1.212261E-03     
  8      8.586188E+02          -3.199318E-03     
  9      3.735497E+02          -7.390972E-03     
 10      1.689229E+02          -1.393649E-02     
 11      7.829639E+01          -1.678575E-02     
 12      3.552123E+01           4.149856E-03     
 13      1.704144E+01           6.797646E-02     
 14      8.173000E+00           1.075807E-01     
 15      3.610318E+00          -4.166022E-02     
 16      1.697047E+00          -2.128044E-01     
 17      7.435320E-01          -2.381360E-01     
 18      1.583440E-01           2.650788E-01     
 19      7.503600E-02           5.722774E-01     
S   19
  1      4.675675E+06          -3.863053E-07     
  2      7.001615E+05          -3.068788E-06     
  3      1.593373E+05          -1.564826E-05     
  4      4.513046E+04          -6.883588E-05     
  5      1.472238E+04          -2.377367E-04     
  6      5.314222E+03          -8.213173E-04     
  7      2.072018E+03          -2.229630E-03     
  8      8.586188E+02          -6.467841E-03     
  9      3.735497E+02          -1.325463E-02     
 10      1.689229E+02          -2.946686E-02     
 11      7.829639E+01          -2.599066E-02     
 12      3.552123E+01          -8.499807E-03     
 13      1.704144E+01           1.727316E-01     
 14      8.173000E+00           1.512189E-01     
 15      3.610318E+00           3.554509E-02     
 16      1.697047E+00          -8.829353E-01     
 17      7.435320E-01           2.143530E-01     
 18      1.583440E-01           1.711865E+00     
 19      7.503600E-02          -7.140037E-01     
S   1
  1      3.309100E-02           1.0000000        
S   1
  1      1.459000E-02           1.0000000        
P   15
  1      1.926778E+04           4.100000E-05     
  2      4.560986E+03           3.690000E-04     
  3      1.481436E+03           2.128000E-03     
  4      5.668671E+02           9.372000E-03     
  5      2.404910E+02           3.315500E-02     
  6      1.096105E+02           9.475200E-02     
  7      5.259491E+01           2.090930E-01     
  8      2.608361E+01           3.337220E-01     
  9      1.326143E+01           3.322080E-01     
 10      6.799778E+00           1.546130E-01     
 11      3.393414E+00           2.090200E-02     
 12      1.648766E+00          -2.024000E-03     
 13      7.762820E-01          -1.697000E-03     
 14      2.980030E-01          -2.800000E-04     
 15      1.136180E-01           2.600000E-05     
P   15
  1      1.926778E+04          -1.500000E-05     
  2      4.560986E+03          -1.310000E-04     
  3      1.481436E+03          -7.580000E-04     
  4      5.668671E+02          -3.363000E-03     
  5      2.404910E+02          -1.205400E-02     
  6      1.096105E+02          -3.542400E-02     
  7      5.259491E+01          -8.128700E-02     
  8      2.608361E+01          -1.369080E-01     
  9      1.326143E+01          -1.390190E-01     
 10      6.799778E+00           3.546800E-02     
 11      3.393414E+00           3.384980E-01     
 12      1.648766E+00           4.544330E-01     
 13      7.762820E-01           2.797930E-01     
 14      2.980030E-01           4.477600E-02     
 15      1.136180E-01          -3.151000E-03     
P   15
  1      1.926778E+04          -3.000000E-06     
  2      4.560986E+03          -2.900000E-05     
  3      1.481436E+03          -1.670000E-04     
  4      5.668671E+02          -7.420000E-04     
  5      2.404910E+02          -2.662000E-03     
  6      1.096105E+02          -7.841000E-03     
  7      5.259491E+01          -1.805100E-02     
  8      2.608361E+01          -3.058000E-02     
  9      1.326143E+01          -3.131200E-02     
 10      6.799778E+00           1.131100E-02     
 11      3.393414E+00           8.999000E-02     
 12      1.648766E+00           1.307330E-01     
 13      7.762820E-01           7.180800E-02     
 14      2.980030E-01          -2.216580E-01     
 15      1.136180E-01          -5.710250E-01     
P   15
  1      1.926778E+04           5.000000E-06     
  2      4.560986E+03           4.500000E-05     
  3      1.481436E+03           2.550000E-04     
  4      5.668671E+02           1.144000E-03     
  5      2.404910E+02           4.061000E-03     
  6      1.096105E+02           1.209500E-02     
  7      5.259491E+01           2.747600E-02     
  8      2.608361E+01           4.755700E-02     
  9      1.326143E+01           4.730200E-02     
 10      6.799778E+00          -1.441800E-02     
 11      3.393414E+00          -1.500620E-01     
 12      1.648766E+00          -1.990920E-01     
 13      7.762820E-01          -7.978300E-02     
 14      2.980030E-01           4.590350E-01     
 15      1.136180E-01           6.174950E-01     
P   1
  1      4.162400E-02           1.0000000        
P   1
  1      1.525000E-02           1.0000000        
D   7
  1      1.262640E+02           3.510000E-03     
  2      3.752260E+01           2.588400E-02     
  3      1.380210E+01           1.000580E-01     
  4      5.609270E+00           2.405470E-01     
  5      2.333690E+00           3.568430E-01     
  6      9.364150E-01           3.595790E-01     
  7      3.482370E-01           2.366290E-01     
D   7
  1      1.262640E+02          -4.067000E-03     
  2      3.752260E+01          -3.005300E-02     
  3      1.380210E+01          -1.196200E-01     
  4      5.609270E+00          -2.915130E-01     
  5      2.333690E+00          -3.180480E-01     
  6      9.364150E-01           9.169800E-02     
  7      3.482370E-01           5.608230E-01     
D   1
  1      1.123530E-01           1.0000000        
D   1
  1      3.625000E-02           1.0000000        
F   2
  1      3.772400E+00           4.239660E-01     
  2      9.170000E-01           7.684290E-01     
F   1
  1      3.271500E-01           1.0000000        


name: aug-cc-pVDZ
description: VDZ2PD Valence Double Zeta + Polarization + Diffuse
elt: Ni
data:
NICKEL
S   19
  1      5.045991E+06           8.208996E-06     
  2      7.556142E+05           6.382884E-05     
  3      1.719568E+05           3.355800E-04     
  4      4.870479E+04           1.415075E-03     
  5      1.588841E+04           5.124444E-03     
  6      5.735123E+03           1.643256E-02     
  7      2.236137E+03           4.689398E-02     
  8      9.266468E+02           1.163534E-01     
  9      4.031743E+02           2.350511E-01     
 10      1.823476E+02           3.350184E-01     
 11      8.454885E+01           2.534779E-01     
 12      3.839634E+01           7.300901E-02     
 13      1.845859E+01           6.184244E-02     
 14      8.863548E+00           6.302956E-02     
 15      3.916227E+00           1.008063E-02     
 16      1.838870E+00          -2.244528E-04     
 17      8.043620E-01          -5.932767E-05     
 18      1.697970E-01          -1.158562E-05     
 19      7.930600E-02           8.115109E-06     
S   19
  1      5.045991E+06          -3.657849E-06     
  2      7.556142E+05          -2.844094E-05     
  3      1.719568E+05          -1.495928E-04     
  4      4.870479E+04          -6.313009E-04     
  5      1.588841E+04          -2.293052E-03     
  6      5.735123E+03          -7.405123E-03     
  7      2.236137E+03          -2.152032E-02     
  8      9.266468E+02          -5.560974E-02     
  9      4.031743E+02          -1.230176E-01     
 10      1.823476E+02          -2.130104E-01     
 11      8.454885E+01          -2.265837E-01     
 12      3.839634E+01           3.546796E-02     
 13      1.845859E+01           5.181697E-01     
 14      8.863548E+00           5.025630E-01     
 15      3.916227E+00           8.955674E-02     
 16      1.838870E+00          -7.031311E-03     
 17      8.043620E-01          -4.339167E-04     
 18      1.697970E-01          -5.831711E-04     
 19      7.930600E-02           4.228788E-04     
S   19
  1      5.045991E+06           9.594149E-07     
  2      7.556142E+05           7.462614E-06     
  3      1.719568E+05           3.923843E-05     
  4      4.870479E+04           1.657868E-04     
  5      1.588841E+04           6.025905E-04     
  6      5.735123E+03           1.955662E-03     
  7      2.236137E+03           5.730391E-03     
  8      9.266468E+02           1.514756E-02     
  9      4.031743E+02           3.493499E-02     
 10      1.823476E+02           6.598072E-02     
 11      8.454885E+01           7.893083E-02     
 12      3.839634E+01          -1.906249E-02     
 13      1.845859E+01          -3.095921E-01     
 14      8.863548E+00          -4.558610E-01     
 15      3.916227E+00           1.482931E-01     
 16      1.838870E+00           7.134039E-01     
 17      8.043620E-01           3.976063E-01     
 18      1.697970E-01           2.295523E-02     
 19      7.930600E-02          -9.151758E-03     
S   19
  1      5.045991E+06          -2.013753E-07     
  2      7.556142E+05          -1.565832E-06     
  3      1.719568E+05          -8.237182E-06     
  4      4.870479E+04          -3.478105E-05     
  5      1.588841E+04          -1.265265E-04     
  6      5.735123E+03          -4.102589E-04     
  7      2.236137E+03          -1.203834E-03     
  8      9.266468E+02          -3.179062E-03     
  9      4.031743E+02          -7.353828E-03     
 10      1.823476E+02          -1.389022E-02     
 11      8.454885E+01          -1.677875E-02     
 12      3.839634E+01           4.163378E-03     
 13      1.845859E+01           6.814703E-02     
 14      8.863548E+00           1.061029E-01     
 15      3.916227E+00          -4.339980E-02     
 16      1.838870E+00          -2.094950E-01     
 17      8.043620E-01          -2.310271E-01     
 18      1.697970E-01           2.590532E-01     
 19      7.930600E-02           5.691426E-01     
S   19
  1      5.045991E+06          -3.924245E-07     
  2      7.556142E+05          -3.113909E-06     
  3      1.719568E+05          -1.590447E-05     
  4      4.870479E+04          -6.981394E-05     
  5      1.588841E+04          -2.417848E-04     
  6      5.735123E+03          -8.326195E-04     
  7      2.236137E+03          -2.270294E-03     
  8      9.266468E+02          -6.557427E-03     
  9      4.031743E+02          -1.354288E-02     
 10      1.823476E+02          -2.989768E-02     
 11      8.454885E+01          -2.693106E-02     
 12      3.839634E+01          -7.827693E-03     
 13      1.845859E+01           1.741667E-01     
 14      8.863548E+00           1.595468E-01     
 15      3.916227E+00           1.995550E-02     
 16      1.838870E+00          -8.897000E-01     
 17      8.043620E-01           2.486892E-01     
 18      1.697970E-01           1.613012E+00     
 19      7.930600E-02          -5.990277E-01     
S   1
  1      3.467700E-02           1.0000000        
S   1
  1      1.516000E-02           1.0000000        
P   15
  1      2.102792E+04           4.100000E-05     
  2      4.977560E+03           3.630000E-04     
  3      1.616740E+03           2.097000E-03     
  4      6.186718E+02           9.250000E-03     
  5      2.625183E+02           3.279600E-02     
  6      1.196907E+02           9.400400E-02     
  7      5.746585E+01           2.082800E-01     
  8      2.852829E+01           3.336540E-01     
  9      1.452148E+01           3.329040E-01     
 10      7.453850E+00           1.553720E-01     
 11      3.723553E+00           2.085900E-02     
 12      1.809813E+00          -2.440000E-03     
 13      8.513360E-01          -1.998000E-03     
 14      3.248140E-01          -3.380000E-04     
 15      1.195220E-01           3.500000E-05     
P   15
  1      2.102792E+04          -1.500000E-05     
  2      4.977560E+03          -1.290000E-04     
  3      1.616740E+03          -7.490000E-04     
  4      6.186718E+02          -3.328000E-03     
  5      2.625183E+02          -1.194700E-02     
  6      1.196907E+02          -3.524200E-02     
  7      5.746585E+01          -8.120400E-02     
  8      2.852829E+01          -1.374930E-01     
  9      1.452148E+01          -1.392260E-01     
 10      7.453850E+00           3.601600E-02     
 11      3.723553E+00           3.391280E-01     
 12      1.809813E+00           4.504720E-01     
 13      8.513360E-01           2.817830E-01     
 14      3.248140E-01           4.789800E-02     
 15      1.195220E-01          -2.987000E-03     
P   15
  1      2.102792E+04           3.000000E-06     
  2      4.977560E+03           2.600000E-05     
  3      1.616740E+03           1.520000E-04     
  4      6.186718E+02           6.780000E-04     
  5      2.625183E+02           2.427000E-03     
  6      1.196907E+02           7.201000E-03     
  7      5.746585E+01           1.657800E-02     
  8      2.852829E+01           2.839200E-02     
  9      1.452148E+01           2.859900E-02     
 10      7.453850E+00          -1.013200E-02     
 11      3.723553E+00          -8.291200E-02     
 12      1.809813E+00          -1.159980E-01     
 13      8.513360E-01          -7.279500E-02     
 14      3.248140E-01           1.956400E-01     
 15      1.195220E-01           5.670990E-01     
P   15
  1      2.102792E+04           6.000000E-06     
  2      4.977560E+03           5.300000E-05     
  3      1.616740E+03           3.050000E-04     
  4      6.186718E+02           1.364000E-03     
  5      2.625183E+02           4.876000E-03     
  6      1.196907E+02           1.450300E-02     
  7      5.746585E+01           3.329600E-02     
  8      2.852829E+01           5.748200E-02     
  9      1.452148E+01           5.870200E-02     
 10      7.453850E+00          -1.990400E-02     
 11      3.723553E+00          -1.946950E-01     
 12      1.809813E+00          -2.396130E-01     
 13      8.513360E-01          -2.232000E-03     
 14      3.248140E-01           5.214350E-01     
 15      1.195220E-01           5.455400E-01     
P   1
  1      4.236600E-02           1.0000000        
P   1
  1      1.502000E-02           1.0000000        
D   7
  1      1.402527E+02           3.376000E-03     
  2      4.172610E+01           2.514100E-02     
  3      1.539810E+01           9.774600E-02     
  4      6.277100E+00           2.347090E-01     
  5      2.618500E+00           3.469450E-01     
  6      1.052600E+00           3.510680E-01     
  7      3.916000E-01           2.502550E-01     
D   7
  1      1.402527E+02          -3.495000E-03     
  2      4.172610E+01          -2.601500E-02     
  3      1.539810E+01          -1.038760E-01     
  4      6.277100E+00          -2.520700E-01     
  5      2.618500E+00          -2.945800E-01     
  6      1.052600E+00           1.152000E-03     
  7      3.916000E-01           4.385890E-01     
D   1
  1      1.262000E-01           1.0000000        
D   1
  1      4.067000E-02           1.0000000        
F   2
  1      4.345500E+00           4.174290E-01     
  2      1.068000E+00           7.714830E-01     
F   1
  1      4.083000E-01           1.0000000        


name: aug-cc-pVDZ
description: VDZ2PD Valence Double Zeta + Polarization + Diffuse
elt: Cu
data:
COPPER
S   19
  1      5.430321E+06           7.801026E-06     
  2      8.131665E+05           6.065666E-05     
  3      1.850544E+05           3.188964E-04     
  4      5.241466E+04           1.344687E-03     
  5      1.709868E+04           4.869050E-03     
  6      6.171994E+03           1.561013E-02     
  7      2.406481E+03           4.452077E-02     
  8      9.972584E+02           1.103111E-01     
  9      4.339289E+02           2.220342E-01     
 10      1.962869E+02           3.133739E-01     
 11      9.104280E+01           2.315121E-01     
 12      4.138425E+01           7.640920E-02     
 13      1.993278E+01           1.103818E-01     
 14      9.581891E+00           1.094372E-01     
 15      4.234516E+00           1.836311E-02     
 16      1.985814E+00          -6.043084E-04     
 17      8.670830E-01           5.092245E-05     
 18      1.813390E-01          -5.540730E-05     
 19      8.365700E-02           3.969482E-05     
S   19
  1      5.430321E+06          -4.404706E-06     
  2      8.131665E+05          -3.424801E-05     
  3      1.850544E+05          -1.801238E-04     
  4      5.241466E+04          -7.600455E-04     
  5      1.709868E+04          -2.759348E-03     
  6      6.171994E+03          -8.900970E-03     
  7      2.406481E+03          -2.579378E-02     
  8      9.972584E+02          -6.623861E-02     
  9      4.339289E+02          -1.445927E-01     
 10      1.962869E+02          -2.440110E-01     
 11      9.104280E+01          -2.504837E-01     
 12      4.138425E+01           2.852577E-02     
 13      1.993278E+01           5.115874E-01     
 14      9.581891E+00           4.928061E-01     
 15      4.234516E+00           8.788437E-02     
 16      1.985814E+00          -5.820281E-03     
 17      8.670830E-01           2.013508E-04     
 18      1.813390E-01          -5.182553E-04     
 19      8.365700E-02           3.731503E-04     
S   19
  1      5.430321E+06           9.704682E-07     
  2      8.131665E+05           7.549245E-06     
  3      1.850544E+05           3.968892E-05     
  4      5.241466E+04           1.677200E-04     
  5      1.709868E+04           6.095101E-04     
  6      6.171994E+03           1.978846E-03     
  7      2.406481E+03           5.798049E-03     
  8      9.972584E+02           1.534158E-02     
  9      4.339289E+02           3.540484E-02     
 10      1.962869E+02           6.702098E-02     
 11      9.104280E+01           8.026945E-02     
 12      4.138425E+01          -1.927231E-02     
 13      1.993278E+01          -3.160129E-01     
 14      9.581891E+00          -4.573162E-01     
 15      4.234516E+00           1.550841E-01     
 16      1.985814E+00           7.202872E-01     
 17      8.670830E-01           3.885122E-01     
 18      1.813390E-01           1.924326E-02     
 19      8.365700E-02          -7.103807E-03     
S   19
  1      5.430321E+06          -1.959354E-07     
  2      8.131665E+05          -1.523472E-06     
  3      1.850544E+05          -8.014808E-06     
  4      5.241466E+04          -3.383992E-05     
  5      1.709868E+04          -1.231191E-04     
  6      6.171994E+03          -3.992085E-04     
  7      2.406481E+03          -1.171900E-03     
  8      9.972584E+02          -3.096141E-03     
  9      4.339289E+02          -7.171993E-03     
 10      1.962869E+02          -1.356621E-02     
 11      9.104280E+01          -1.643989E-02     
 12      4.138425E+01           4.107628E-03     
 13      1.993278E+01           6.693964E-02     
 14      9.581891E+00           1.028221E-01     
 15      4.234516E+00          -4.422945E-02     
 16      1.985814E+00          -2.031191E-01     
 17      8.670830E-01          -2.230022E-01     
 18      1.813390E-01           2.517975E-01     
 19      8.365700E-02           5.650091E-01     
S   19
  1      5.430321E+06          -3.532229E-07     
  2      8.131665E+05          -2.798812E-06     
  3      1.850544E+05          -1.432517E-05     
  4      5.241466E+04          -6.270946E-05     
  5      1.709868E+04          -2.179490E-04     
  6      6.171994E+03          -7.474316E-04     
  7      2.406481E+03          -2.049271E-03     
  8      9.972584E+02          -5.885203E-03     
  9      4.339289E+02          -1.226885E-02     
 10      1.962869E+02          -2.683147E-02     
 11      9.104280E+01          -2.479261E-02     
 12      4.138425E+01          -5.984746E-03     
 13      1.993278E+01           1.557124E-01     
 14      9.581891E+00           1.436683E-01     
 15      4.234516E+00           8.374103E-03     
 16      1.985814E+00          -7.460711E-01     
 17      8.670830E-01           1.244367E-01     
 18      1.813390E-01           1.510110E+00     
 19      8.365700E-02          -3.477122E-01     
S   1
  1      3.626700E-02           1.0000000        
S   1
  1      1.572000E-02           1.0000000        
P   15
  1      2.276057E+04           4.000000E-05     
  2      5.387679E+03           3.610000E-04     
  3      1.749945E+03           2.083000E-03     
  4      6.696653E+02           9.197000E-03     
  5      2.841948E+02           3.266000E-02     
  6      1.296077E+02           9.379500E-02     
  7      6.225415E+01           2.082740E-01     
  8      3.092964E+01           3.339930E-01     
  9      1.575827E+01           3.324930E-01     
 10      8.094211E+00           1.547280E-01     
 11      4.046921E+00           2.127100E-02     
 12      1.967869E+00          -1.690000E-03     
 13      9.252950E-01          -1.516000E-03     
 14      3.529920E-01          -2.420000E-04     
 15      1.273070E-01           2.300000E-05     
P   15
  1      2.276057E+04          -1.500000E-05     
  2      5.387679E+03          -1.310000E-04     
  3      1.749945E+03          -7.550000E-04     
  4      6.696653E+02          -3.359000E-03     
  5      2.841948E+02          -1.208100E-02     
  6      1.296077E+02          -3.570300E-02     
  7      6.225415E+01          -8.250200E-02     
  8      3.092964E+01          -1.398900E-01     
  9      1.575827E+01          -1.407290E-01     
 10      8.094211E+00           3.876600E-02     
 11      4.046921E+00           3.426950E-01     
 12      1.967869E+00           4.523100E-01     
 13      9.252950E-01           2.770540E-01     
 14      3.529920E-01           4.388500E-02     
 15      1.273070E-01          -2.802000E-03     
P   15
  1      2.276057E+04           3.000000E-06     
  2      5.387679E+03           2.500000E-05     
  3      1.749945E+03           1.470000E-04     
  4      6.696653E+02           6.560000E-04     
  5      2.841948E+02           2.351000E-03     
  6      1.296077E+02           7.004000E-03     
  7      6.225415E+01           1.613100E-02     
  8      3.092964E+01           2.777000E-02     
  9      1.575827E+01           2.756700E-02     
 10      8.094211E+00          -1.011500E-02     
 11      4.046921E+00          -8.100900E-02     
 12      1.967869E+00          -1.104090E-01     
 13      9.252950E-01          -7.173200E-02     
 14      3.529920E-01           1.879300E-01     
 15      1.273070E-01           5.646290E-01     
P   15
  1      2.276057E+04           5.000000E-06     
  2      5.387679E+03           4.900000E-05     
  3      1.749945E+03           2.780000E-04     
  4      6.696653E+02           1.253000E-03     
  5      2.841948E+02           4.447000E-03     
  6      1.296077E+02           1.337000E-02     
  7      6.225415E+01           3.046900E-02     
  8      3.092964E+01           5.344700E-02     
  9      1.575827E+01           5.263900E-02     
 10      8.094211E+00          -1.688100E-02     
 11      4.046921E+00          -1.794480E-01     
 12      1.967869E+00          -2.095880E-01     
 13      9.252950E-01          -3.963300E-02     
 14      3.529920E-01           5.021300E-01     
 15      1.273070E-01           5.811110E-01     
P   1
  1      4.435600E-02           1.0000000        
P   1
  1      1.545000E-02           1.0000000        
D   7
  1      1.738970E+02           2.700000E-03     
  2      5.188690E+01           2.090900E-02     
  3      1.934190E+01           8.440800E-02     
  4      7.975720E+00           2.139990E-01     
  5      3.398230E+00           3.359800E-01     
  6      1.409320E+00           3.573010E-01     
  7      5.488580E-01           2.645780E-01     
D   7
  1      1.738970E+02          -3.363000E-03     
  2      5.188690E+01          -2.607900E-02     
  3      1.934190E+01          -1.082310E-01     
  4      7.975720E+00          -2.822170E-01     
  5      3.398230E+00          -3.471900E-01     
  6      1.409320E+00           2.671100E-02     
  7      5.488580E-01           4.920470E-01     
D   1
  1      1.901990E-01           1.0000000        
D   1
  1      6.591000E-02           1.0000000        
F   2
  1      5.028600E+00           4.242800E-01     
  2      1.259400E+00           7.630250E-01     
F   1
  1      4.617200E-01           1.0000000        


name: aug-cc-pVDZ
description: VDZ2PD Valence Double Zeta + Polarization + Diffuse
elt: Zn
data:
ZINC
S   19
  1      5.820021E+06           8.549241E-06     
  2      8.715234E+05           6.647410E-05     
  3      1.983350E+05           3.494962E-04     
  4      5.617631E+04           1.473832E-03     
  5      1.832582E+04           5.338330E-03     
  6      6.614955E+03           1.712708E-02     
  7      2.579199E+03           4.894085E-02     
  8      1.068849E+03           1.217934E-01     
  9      4.651045E+02           2.476589E-01     
 10      2.104130E+02           3.582431E-01     
 11      9.761629E+01           2.798174E-01     
 12      4.438020E+01           6.857491E-02     
 13      2.142308E+01          -1.311092E-03     
 14      1.030891E+01           1.914001E-03     
 15      4.553645E+00          -8.759220E-04     
 16      2.132821E+00           3.740096E-04     
 17      9.296970E-01          -1.401399E-04     
 18      1.921470E-01           4.757132E-05     
 19      8.759500E-02          -3.642711E-05     
S   19
  1      5.820021E+06          -2.640069E-06     
  2      8.715234E+05          -2.052720E-05     
  3      1.983350E+05          -1.079859E-04     
  4      5.617631E+04          -4.558577E-04     
  5      1.832582E+04          -1.657758E-03     
  6      6.614955E+03          -5.368492E-03     
  7      2.579199E+03          -1.571249E-02     
  8      1.068849E+03          -4.122558E-02     
  9      4.651045E+02          -9.406459E-02     
 10      2.104130E+02          -1.719954E-01     
 11      9.761629E+01          -1.958523E-01     
 12      4.438020E+01           4.532907E-02     
 13      2.142308E+01           5.244442E-01     
 14      1.030891E+01           5.006142E-01     
 15      4.553645E+00           8.945527E-02     
 16      2.132821E+00          -2.146262E-03     
 17      9.296970E-01           2.112113E-03     
 18      1.921470E-01          -4.133980E-04     
 19      8.759500E-02           3.209752E-04     
S   19
  1      5.820021E+06           9.967103E-07     
  2      8.715234E+05           7.754163E-06     
  3      1.983350E+05           4.076019E-05     
  4      5.617631E+04           1.722811E-04     
  5      1.832582E+04           6.259370E-04     
  6      6.614955E+03           2.032855E-03     
  7      2.579199E+03           5.954646E-03     
  8      1.068849E+03           1.576640E-02     
  9      4.651045E+02           3.637638E-02     
 10      2.104130E+02           6.892343E-02     
 11      9.761629E+01           8.238093E-02     
 12      4.438020E+01          -2.011360E-02     
 13      2.142308E+01          -3.252526E-01     
 14      1.030891E+01          -4.602899E-01     
 15      4.553645E+00           1.635546E-01     
 16      2.132821E+00           7.297118E-01     
 17      9.296970E-01           3.769751E-01     
 18      1.921470E-01           1.433224E-02     
 19      8.759500E-02          -6.671210E-03     
S   19
  1      5.820021E+06           1.995818E-07     
  2      8.715234E+05           1.552973E-06     
  3      1.983350E+05           8.161259E-06     
  4      5.617631E+04           3.450747E-05     
  5      1.832582E+04           1.253275E-04     
  6      6.614955E+03           4.072990E-04     
  7      2.579199E+03           1.192734E-03     
  8      1.068849E+03           3.163140E-03     
  9      4.651045E+02           7.303942E-03     
 10      2.104130E+02           1.391279E-02     
 11      9.761629E+01           1.670620E-02     
 12      4.438020E+01          -4.035586E-03     
 13      2.142308E+01          -6.968861E-02     
 14      1.030891E+01          -1.030105E-01     
 15      4.553645E+00           4.471442E-02     
 16      2.132821E+00           2.150027E-01     
 17      9.296970E-01           2.220163E-01     
 18      1.921470E-01          -3.114776E-01     
 19      8.759500E-02          -5.693429E-01     
S   19
  1      5.820021E+06          -5.435910E-07     
  2      8.715234E+05          -4.336894E-06     
  3      1.983350E+05          -2.197572E-05     
  4      5.617631E+04          -9.747392E-05     
  5      1.832582E+04          -3.331615E-04     
  6      6.614955E+03          -1.166192E-03     
  7      2.579199E+03          -3.119308E-03     
  8      1.068849E+03          -9.239504E-03     
  9      4.651045E+02          -1.855471E-02     
 10      2.104130E+02          -4.281189E-02     
 11      9.761629E+01          -3.571095E-02     
 12      4.438020E+01          -1.638350E-02     
 13      2.142308E+01           2.644664E-01     
 14      1.030891E+01           2.086588E-01     
 15      4.553645E+00          -1.774382E-02     
 16      2.132821E+00          -1.353873E+00     
 17      9.296970E-01           8.182926E-01     
 18      1.921470E-01           1.695036E+00     
 19      8.759500E-02          -1.388656E+00     
S   1
  1      3.770200E-02           1.0000000        
S   1
  1      1.623000E-02           1.0000000        
P   15
  1      2.441198E+04           4.100000E-05     
  2      5.778518E+03           3.610000E-04     
  3      1.876862E+03           2.088000E-03     
  4      7.182361E+02           9.221000E-03     
  5      3.048327E+02           3.277300E-02     
  6      1.390453E+02           9.417900E-02     
  7      6.680417E+01           2.091320E-01     
  8      3.320699E+01           3.345690E-01     
  9      1.692816E+01           3.303590E-01     
 10      8.696229E+00           1.523470E-01     
 11      4.350510E+00           2.298400E-02     
 12      2.116523E+00           1.607000E-03     
 13      9.953870E-01           4.680000E-04     
 14      3.781120E-01           6.600000E-05     
 15      1.345790E-01          -2.000000E-06     
P   15
  1      2.441198E+04          -1.500000E-05     
  2      5.778518E+03          -1.350000E-04     
  3      1.876862E+03          -7.820000E-04     
  4      7.182361E+02          -3.478000E-03     
  5      3.048327E+02          -1.252000E-02     
  6      1.390453E+02          -3.701600E-02     
  7      6.680417E+01          -8.555900E-02     
  8      3.320699E+01          -1.447180E-01     
  9      1.692816E+01          -1.434420E-01     
 10      8.696229E+00           4.359500E-02     
 11      4.350510E+00           3.488880E-01     
 12      2.116523E+00           4.538650E-01     
 13      9.953870E-01           2.685940E-01     
 14      3.781120E-01           3.886800E-02     
 15      1.345790E-01          -2.492000E-03     
P   15
  1      2.441198E+04           3.000000E-06     
  2      5.778518E+03           2.500000E-05     
  3      1.876862E+03           1.440000E-04     
  4      7.182361E+02           6.450000E-04     
  5      3.048327E+02           2.311000E-03     
  6      1.390453E+02           6.898000E-03     
  7      6.680417E+01           1.588200E-02     
  8      3.320699E+01           2.735000E-02     
  9      1.692816E+01           2.662100E-02     
 10      8.696229E+00          -1.085800E-02     
 11      4.350510E+00          -7.985300E-02     
 12      2.116523E+00          -1.061270E-01     
 13      9.953870E-01          -6.888300E-02     
 14      3.781120E-01           1.843850E-01     
 15      1.345790E-01           5.617880E-01     
P   15
  1      2.441198E+04           5.000000E-06     
  2      5.778518E+03           4.200000E-05     
  3      1.876862E+03           2.380000E-04     
  4      7.182361E+02           1.088000E-03     
  5      3.048327E+02           3.821000E-03     
  6      1.390453E+02           1.164400E-02     
  7      6.680417E+01           2.616700E-02     
  8      3.320699E+01           4.675000E-02     
  9      1.692816E+01           4.330900E-02     
 10      8.696229E+00          -1.342900E-02     
 11      4.350510E+00          -1.538970E-01     
 12      2.116523E+00          -1.674130E-01     
 13      9.953870E-01          -8.499500E-02     
 14      3.781120E-01           4.508130E-01     
 15      1.345790E-01           6.408690E-01     
P   1
  1      4.628200E-02           1.0000000        
P   1
  1      1.592000E-02           1.0000000        
D   7
  1      2.056177E+02           2.342000E-03     
  2      6.144981E+01           1.860600E-02     
  3      2.305689E+01           7.710200E-02     
  4      9.577739E+00           2.020260E-01     
  5      4.133734E+00           3.294540E-01     
  6      1.747518E+00           3.609760E-01     
  7      6.995600E-01           2.716570E-01     
D   7
  1      2.056177E+02           3.279000E-03     
  2      6.144981E+01           2.617600E-02     
  3      2.305689E+01           1.113670E-01     
  4      9.577739E+00           3.045810E-01     
  5      4.133734E+00           3.862990E-01     
  6      1.747518E+00          -5.837500E-02     
  7      6.995600E-01          -5.388760E-01     
D   1
  1      2.516080E-01           1.0000000        
D   1
  1      9.049000E-02           1.0000000        
F   2
  1      5.734400E+00           4.311320E-01     
  2      1.461500E+00           7.546420E-01     
F   1
  1      5.486100E-01           1.0000000        


name: aug-cc-pVDZ
description: VDZ2PD Valence Double Zeta + Polarization + Diffuse
elt: Ga
data:
GALLIUM
S   13
  1 485130.0000000              0.0002068        
  2  72719.0000000              0.0016047        
  3  16552.0000000              0.0083402        
  4   4687.8000000              0.0340248        
  5   1529.1000000              0.1111699        
  6    551.8100000              0.2753930        
  7    215.1800000              0.4212628        
  8     88.1740000              0.2738906        
  9     27.1540000              0.0283720        
 10     11.5030000             -0.0062931        
 11      3.3018000              0.0020606        
 12      1.3314000             -0.0009269        
 13      0.1931600              0.0002273        
S   13
  1 485130.0000000             -0.0000643        
  2  72719.0000000             -0.0004954        
  3  16552.0000000             -0.0026208        
  4   4687.8000000             -0.0106839        
  5   1529.1000000             -0.0374123        
  6    551.8100000             -0.1009636        
  7    215.1800000             -0.2145141        
  8     88.1740000             -0.1752297        
  9     27.1540000              0.4831599        
 10     11.5030000              0.6323677        
 11      3.3018000              0.0684942        
 12      1.3314000             -0.0118712        
 13      0.1931600              0.0026652        
S   13
  1 485130.0000000              0.0000245        
  2  72719.0000000              0.0001895        
  3  16552.0000000              0.0009964        
  4   4687.8000000              0.0041082        
  5   1529.1000000              0.0142938        
  6    551.8100000              0.0398034        
  7    215.1800000              0.0855940        
  8     88.1740000              0.0796305        
  9     27.1540000             -0.2939107        
 10     11.5030000             -0.5263914        
 11      3.3018000              0.5864249        
 12      1.3314000              0.6726347        
 13      0.1931600              0.0276123        
S   13
  1 485130.0000000             -0.0000057        
  2  72719.0000000             -0.0000440        
  3  16552.0000000             -0.0002305        
  4   4687.8000000             -0.0009544        
  5   1529.1000000             -0.0033055        
  6    551.8100000             -0.0092888        
  7    215.1800000             -0.0198644        
  8     88.1740000             -0.0190888        
  9     27.1540000              0.0732356        
 10     11.5030000              0.1341526        
 11      3.3018000             -0.1831929        
 12      1.3314000             -0.3571308        
 13      0.1931600              0.6246013        
S   1
  1      0.0708950              1.0000000        
S   1
  1      0.0243480              1.0000000        
P   10
  1   3248.6000000              0.0015260        
  2    769.9700000              0.0127486        
  3    248.2000000              0.0633742        
  4     93.3640000              0.2065775        
  5     38.2510000              0.4092963        
  6     16.4220000              0.3919183        
  7      6.7918000              0.1029441        
  8      2.8336000             -0.0007203        
  9      1.1062000              0.0020950        
 10      0.2225000             -0.0003290        
P   10
  1   3248.6000000             -0.0005803        
  2    769.9700000             -0.0048647        
  3    248.2000000             -0.0248394        
  4     93.3640000             -0.0841759        
  5     38.2510000             -0.1800885        
  6     16.4220000             -0.1585555        
  7      6.7918000              0.2355376        
  8      2.8336000              0.5820587        
  9      1.1062000              0.3366619        
 10      0.2225000              0.0171912        
P   10
  1   3248.6000000              0.0000950        
  2    769.9700000              0.0007832        
  3    248.2000000              0.0040855        
  4     93.3640000              0.0135987        
  5     38.2510000              0.0302695        
  6     16.4220000              0.0241790        
  7      6.7918000             -0.0423777        
  8      2.8336000             -0.1265661        
  9      1.1062000             -0.0499444        
 10      0.2225000              0.4494199        
P   1
  1      0.0617720              1.0000000        
P   1
  1      0.0151640              1.0000000        
D   5
  1     65.3370000              0.0273825        
  2     18.4970000              0.1510805        
  3      6.3150000              0.3749217        
  4      2.1635000              0.4750799        
  5      0.6667500              0.2982750        
D   1
  1      0.1884000              1.0000000        
D   1
  1      0.0537000              1.0000000        


name: aug-cc-pVDZ
description: VDZ2PD Valence Double Zeta + Polarization + Diffuse
elt: Ge
data:
GERMANIUM
S   13
  1 521800.0000000              0.0002045        
  2  78214.0000000              0.0015868        
  3  17803.0000000              0.0082480        
  4   5041.9000000              0.0336649        
  5   1644.5000000              0.1101249        
  6    593.4300000              0.2735607        
  7    231.3600000              0.4210670        
  8     94.7620000              0.2766791        
  9     29.2740000              0.0292180        
 10     12.4500000             -0.0065903        
 11      3.6463000              0.0022430        
 12      1.5025000             -0.0010382        
 13      0.2450300              0.0002695        
S   13
  1 521800.0000000             -0.0000638        
  2  78214.0000000             -0.0004916        
  3  17803.0000000             -0.0026002        
  4   5041.9000000             -0.0106080        
  5   1644.5000000             -0.0371602        
  6    593.4300000             -0.1005790        
  7    231.3600000             -0.2143977        
  8     94.7620000             -0.1782617        
  9     29.2740000              0.4777404        
 10     12.4500000              0.6355983        
 11      3.6463000              0.0722174        
 12      1.5025000             -0.0127265        
 13      0.2450300              0.0029608        
S   13
  1 521800.0000000              0.0000246        
  2  78214.0000000              0.0001900        
  3  17803.0000000              0.0009993        
  4   5041.9000000              0.0041200        
  5   1644.5000000              0.0143557        
  6    593.4300000              0.0400375        
  7    231.3600000              0.0865794        
  8     94.7620000              0.0815861        
  9     29.2740000             -0.2934770        
 10     12.4500000             -0.5367983        
 11      3.6463000              0.5637985        
 12      1.5025000              0.6947182        
 13      0.2450300              0.0315730        
S   13
  1 521800.0000000             -0.0000063        
  2  78214.0000000             -0.0000486        
  3  17803.0000000             -0.0002553        
  4   5041.9000000             -0.0010560        
  5   1644.5000000             -0.0036674        
  6    593.4300000             -0.0103053        
  7    231.3600000             -0.0222200        
  8     94.7620000             -0.0215275        
  9     29.2740000              0.0806752        
 10     12.4500000              0.1524958        
 11      3.6463000             -0.1980528        
 12      1.5025000             -0.4073954        
 13      0.2450300              0.6477288        
S   1
  1      0.0915940              1.0000000        
S   1
  1      0.0339610              1.0000000        
P   10
  1   3568.1000000              0.0014591        
  2    845.7200000              0.0122176        
  3    272.7400000              0.0610490        
  4    102.6800000              0.2008039        
  5     42.1480000              0.4038942        
  6     18.1490000              0.3970027        
  7      7.5934000              0.1105481        
  8      3.1964000              0.0000768        
  9      1.2743000              0.0021263        
 10      0.2825800             -0.0003744        
P   10
  1   3568.1000000             -0.0005630        
  2    845.7200000             -0.0047354        
  3    272.7400000             -0.0242643        
  4    102.6800000             -0.0830900        
  5     42.1480000             -0.1800247        
  6     18.1490000             -0.1663295        
  7      7.5934000              0.2193717        
  8      3.1964000              0.5820239        
  9      1.2743000              0.3477720        
 10      0.2825800              0.0192455        
P   10
  1   3568.1000000              0.0001115        
  2    845.7200000              0.0009212        
  3    272.7400000              0.0048273        
  4    102.6800000              0.0162272        
  5     42.1480000              0.0366354        
  6     18.1490000              0.0307867        
  7      7.5934000             -0.0480643        
  8      3.1964000             -0.1559804        
  9      1.2743000             -0.0632370        
 10      0.2825800              0.5040819        
P   1
  1      0.0840900              1.0000000        
P   1
  1      0.0239450              1.0000000        
D   5
  1     74.7620000              0.0257684        
  2     21.3020000              0.1454421        
  3      7.3436000              0.3713721        
  4      2.5651000              0.4800002        
  5      0.8197000              0.2896800        
D   1
  1      0.2470000              1.0000000        
D   1
  1      0.0771000              1.0000000        


name: aug-cc-pVDZ
description: VDZ2PD Valence Double Zeta + Polarization + Diffuse
elt: As
data:
ARSENIC
S   13
  1 559583.7900000              0.0002024        
  2  83879.3300000              0.0015709        
  3  19092.6680000              0.0081662        
  4   5407.3925000              0.0333399        
  5   1763.7559000              0.1091726        
  6    636.4567200              0.2718853        
  7    248.0884300              0.4208509        
  8    101.5785100              0.2792257        
  9     31.4755130              0.0300301        
 10     13.4372820             -0.0068804        
 11      4.0086900              0.0024240        
 12      1.6849290             -0.0011491        
 13      0.3000190              0.0003095        
S   13
  1 559583.7900000             -0.0000634        
  2  83879.3300000             -0.0004883        
  3  19092.6680000             -0.0025821        
  4   5407.3925000             -0.0105402        
  5   1763.7559000             -0.0369325        
  6    636.4567200             -0.1002355        
  7    248.0884300             -0.2142948        
  8    101.5785100             -0.1810526        
  9     31.4755130              0.4725410        
 10     13.4372820              0.6386194        
 11      4.0086900              0.0758107        
 12      1.6849290             -0.0135278        
 13      0.3000190              0.0031970        
S   13
  1 559583.7900000              0.0000246        
  2  83879.3300000              0.0001907        
  3  19092.6680000              0.0010031        
  4   5407.3925000              0.0041353        
  5   1763.7559000              0.0144259        
  6    636.4567200              0.0402962        
  7    248.0884300              0.0875670        
  8    101.5785100              0.0835178        
  9     31.4755130             -0.2932935        
 10     13.4372820             -0.5470520        
 11      4.0086900              0.5438738        
 12      1.6849290              0.7143591        
 13      0.3000190              0.0353443        
S   13
  1 559583.7900000             -0.0000068        
  2  83879.3300000             -0.0000525        
  3  19092.6680000             -0.0002756        
  4   5407.3925000             -0.0011389        
  5   1763.7559000             -0.0039646        
  6    636.4567200             -0.0111423        
  7    248.0884300             -0.0241991        
  8    101.5785100             -0.0236339        
  9     31.4755130              0.0866317        
 10     13.4372820              0.1685839        
 11      4.0086900             -0.2091425        
 12      1.6849290             -0.4500918        
 13      0.3000190              0.6603978        
S   1
  1      0.1135870              1.0000000        
S   1
  1      0.0411520              1.0000000        
P   10
  1   3886.3564000              0.0014097        
  2    921.2020100              0.0118277        
  3    297.1931900              0.0593280        
  4    111.9750800              0.1965115        
  5     46.0346210              0.3997891        
  6     19.8741940              0.4004653        
  7      8.3860880              0.1164196        
  8      3.5587280              0.0006918        
  9      1.4472820              0.0021633        
 10      0.3477790             -0.0004150        
P   10
  1   3886.3564000             -0.0005519        
  2    921.2020100             -0.0046550        
  3    297.1931900             -0.0239176        
  4    111.9750800             -0.0825627        
  5     46.0346210             -0.1806791        
  6     19.8741940             -0.1724848        
  7      8.3860880              0.2086700        
  8      3.5587280              0.5823622        
  9      1.4472820              0.3537465        
 10      0.3477790              0.0206439        
P   10
  1   3886.3564000              0.0001236        
  2    921.2020100              0.0010240        
  3    297.1931900              0.0053805        
  4    111.9750800              0.0182443        
  5     46.0346210              0.0415979        
  6     19.8741940              0.0362998        
  7      8.3860880             -0.0523569        
  8      3.5587280             -0.1791667        
  9      1.4472820             -0.0740477        
 10      0.3477790              0.5358094        
P   1
  1      0.1076990              1.0000000        
P   1
  1      0.0312680              1.0000000        
D   5
  1     84.4242340              0.0245288        
  2     24.1815890              0.1411340        
  3      8.4017770              0.3687579        
  4      2.9805020              0.4840626        
  5      0.9790030              0.2824434        
D   1
  1      0.3098000              1.0000000        
D   1
  1      0.1078000              1.0000000        


name: aug-cc-pVDZ
description: VDZ2PD Valence Double Zeta + Polarization + Diffuse
elt: Se
data:
SELENIUM
S   13
  1 598990.0000000              0.0002004        
  2  89783.0000000              0.0015554        
  3  20435.0000000              0.0080872        
  4   5786.9000000              0.0330344        
  5   1887.3000000              0.1082924        
  6    680.9700000              0.2703361        
  7    265.3900000              0.4206236        
  8    108.6300000              0.2815922        
  9     33.7600000              0.0308110        
 10     14.4650000             -0.0071617        
 11      4.3890000              0.0026022        
 12      1.8783000             -0.0012583        
 13      0.3585900              0.0003465        
S   13
  1 598990.0000000             -0.0000629        
  2  89783.0000000             -0.0004850        
  3  20435.0000000             -0.0025644        
  4   5786.9000000             -0.0104761        
  5   1887.3000000             -0.0367223        
  6    680.9700000             -0.0999225        
  7    265.3900000             -0.2141973        
  8    108.6300000             -0.1836593        
  9     33.7600000              0.4675454        
 10     14.4650000              0.6414740        
 11      4.3890000              0.0792569        
 12      1.8783000             -0.0142697        
 13      0.3585900              0.0033792        
S   13
  1 598990.0000000              0.0000247        
  2  89783.0000000              0.0001913        
  3  20435.0000000              0.0010068        
  4   5786.9000000              0.0041514        
  5   1887.3000000              0.0144991        
  6    680.9700000              0.0405658        
  7    265.3900000              0.0885364        
  8    108.6300000              0.0854212        
  9     33.7600000             -0.2932581        
 10     14.4650000             -0.5570727        
 11      4.3890000              0.5261436        
 12      1.8783000              0.7320371        
 13      0.3585900              0.0388246        
S   13
  1 598990.0000000             -0.0000072        
  2  89783.0000000             -0.0000559        
  3  20435.0000000             -0.0002938        
  4   5786.9000000             -0.0012136        
  5   1887.3000000             -0.0042340        
  6    680.9700000             -0.0119035        
  7    265.3900000             -0.0260206        
  8    108.6300000             -0.0256148        
  9     33.7600000              0.0919427        
 10     14.4650000              0.1838700        
 11      4.3890000             -0.2188461        
 12      1.8783000             -0.4896524        
 13      0.3585900              0.6775818        
S   1
  1      0.1364900              1.0000000        
S   1
  1      0.0487470              1.0000000        
P   10
  1   4135.6000000              0.0014127        
  2    980.3400000              0.0118588        
  3    316.3500000              0.0595153        
  4    119.2500000              0.1972201        
  5     49.0680000              0.4007439        
  6     21.2120000              0.3994740        
  7      8.9462000              0.1153364        
  8      3.8236000              0.0002219        
  9      1.5883000              0.0022838        
 10      0.4096900             -0.0004756        
P   10
  1   4135.6000000             -0.0005610        
  2    980.3400000             -0.0047340        
  3    316.3500000             -0.0243504        
  4    119.2500000             -0.0841071        
  5     49.0680000             -0.1841384        
  6     21.2120000             -0.1735004        
  7      8.9462000              0.2167263        
  8      3.8236000              0.5850099        
  9      1.5883000              0.3416816        
 10      0.4096900              0.0199125        
P   10
  1   4135.6000000              0.0001366        
  2    980.3400000              0.0011308        
  3    316.3500000              0.0059581        
  4    119.2500000              0.0201866        
  5     49.0680000              0.0461939        
  6     21.2120000              0.0394050        
  7      8.9462000             -0.0592846        
  8      3.8236000             -0.2014663        
  9      1.5883000             -0.0687821        
 10      0.4096900              0.5595944        
P   1
  1      0.1245900              1.0000000        
P   1
  1      0.0354920              1.0000000        
D   5
  1     94.4720000              0.0234982        
  2     27.1800000              0.1375183        
  3      9.5068000              0.3664824        
  4      3.4168000              0.4874717        
  5      1.1479000              0.2765769        
D   1
  1      0.3682000              1.0000000        
D   1
  1      0.1283000              1.0000000        


name: aug-cc-pVDZ
description: VDZ2PD Valence Double Zeta + Polarization + Diffuse
elt: Br
data:
BROMINE
S   13
  1 640100.0000000              0.0001984        
  2  95938.0000000              0.0015400        
  3  21833.0000000              0.0080096        
  4   6181.9000000              0.0327341        
  5   2015.7000000              0.1074480        
  6    727.1000000              0.2688946        
  7    283.2800000              0.4204411        
  8    115.9100000              0.2838041        
  9     36.1240000              0.0315455        
 10     15.5320000             -0.0074268        
 11      4.7857000              0.0027728        
 12      2.0817000             -0.0013635        
 13      0.4202800              0.0003812        
S   13
  1 640100.0000000             -0.0000625        
  2  95938.0000000             -0.0004816        
  3  21833.0000000             -0.0025466        
  4   6181.9000000             -0.0104112        
  5   2015.7000000             -0.0365179        
  6    727.1000000             -0.0996295        
  7    283.2800000             -0.2141310        
  8    115.9100000             -0.1860911        
  9     36.1240000              0.4628261        
 10     15.5320000              0.6441141        
 11      4.7857000              0.0825502        
 12      2.0817000             -0.0149694        
 13      0.4202800              0.0035288        
S   13
  1 640100.0000000              0.0000248        
  2  95938.0000000              0.0001919        
  3  21833.0000000              0.0010100        
  4   6181.9000000              0.0041659        
  5   2015.7000000              0.0145683        
  6    727.1000000              0.0408345        
  7    283.2800000              0.0894859        
  8    115.9100000              0.0872786        
  9     36.1240000             -0.2933644        
 10     15.5320000             -0.5667109        
 11      4.7857000              0.5105658        
 12      2.0817000              0.7477214        
 13      0.4202800              0.0421512        
S   13
  1 640100.0000000             -0.0000076        
  2  95938.0000000             -0.0000588        
  3  21833.0000000             -0.0003092        
  4   6181.9000000             -0.0012766        
  5   2015.7000000             -0.0044634        
  6    727.1000000             -0.0125575        
  7    283.2800000             -0.0276145        
  8    115.9100000             -0.0273945        
  9     36.1240000              0.0964094        
 10     15.5320000              0.1976871        
 11      4.7857000             -0.2266693        
 12      2.0817000             -0.5241165        
 13      0.4202800              0.6889865        
S   1
  1      0.1606900              1.0000000        
S   1
  1      0.0569460              1.0000000        
P   10
  1   4340.8000000              0.0014448        
  2   1028.9000000              0.0121288        
  3    332.0200000              0.0608077        
  4    125.1600000              0.2009358        
  5     51.5110000              0.4047419        
  6     22.2810000              0.3957151        
  7      9.3417000              0.1102213        
  8      4.0132000             -0.0009090        
  9      1.7002000              0.0024832        
 10      0.4719400             -0.0005744        
P   10
  1   4340.8000000             -0.0005819        
  2   1028.9000000             -0.0049065        
  3    332.0200000             -0.0252514        
  4    125.1600000             -0.0869445        
  5     51.5110000             -0.1893422        
  6     22.2810000             -0.1710882        
  7      9.3417000              0.2368755        
  8      4.0132000              0.5898400        
  9      1.7002000              0.3171944        
 10      0.4719400              0.0179833        
P   10
  1   4340.8000000              0.0001518        
  2   1028.9000000              0.0012563        
  3    332.0200000              0.0066224        
  4    125.1600000              0.0223816        
  5     51.5110000              0.0509717        
  6     22.2810000              0.0414009        
  7      9.3417000             -0.0703970        
  8      4.0132000             -0.2232540        
  9      1.7002000             -0.0564179        
 10      0.4719400              0.5808079        
P   1
  1      0.1442100              1.0000000        
P   1
  1      0.0410490              1.0000000        
D   5
  1    104.8300000              0.0226583        
  2     30.2720000              0.1345895        
  3     10.6490000              0.3647181        
  4      3.8696000              0.4904196        
  5      1.3239000              0.2713885        
D   1
  1      0.4098000              1.0000000        
D   1
  1      0.1719000              1.0000000        


name: aug-cc-pVDZ
description: VDZ2PD Valence Double Zeta + Polarization + Diffuse
elt: Kr
data:
KRYPTON
S   13
  1 681358.8200000              0.0001969        
  2 102126.4800000              0.0015286        
  3  23243.7100000              0.0079500        
  4   6582.0073000              0.0324938        
  5   2146.4286000              0.1067240        
  6    774.3378200              0.2675701        
  7    301.6702000              0.4201851        
  8    123.4118400              0.2858015        
  9     38.5675510              0.0322461        
 10     16.6373790             -0.0076828        
 11      5.1987950              0.0029393        
 12      2.2948140             -0.0014662        
 13      0.4852110              0.0004144        
S   13
  1 681358.8200000             -0.0000622        
  2 102126.4800000             -0.0004794        
  3  23243.7100000             -0.0025341        
  4   6582.0073000             -0.0103636        
  5   2146.4286000             -0.0363516        
  6    774.3378200             -0.0993737        
  7    301.6702000             -0.2140610        
  8    123.4118400             -0.1883192        
  9     38.5675510              0.4583816        
 10     16.6373790              0.6465664        
 11      5.1987950              0.0856579        
 12      2.2948140             -0.0156123        
 13      0.4852110              0.0036490        
S   13
  1 681358.8200000              0.0000249        
  2 102126.4800000              0.0001928        
  3  23243.7100000              0.0010149        
  4   6582.0073000              0.0041857        
  5   2146.4286000              0.0146459        
  6    774.3378200              0.0411070        
  7    301.6702000              0.0903955        
  8    123.4118400              0.0890623        
  9     38.5675510             -0.2935718        
 10     16.6373790             -0.5759698        
 11      5.1987950              0.4968578        
 12      2.2948140              0.7616895        
 13      0.4852110              0.0453267        
S   13
  1 681358.8200000             -0.0000079        
  2 102126.4800000             -0.0000614        
  3  23243.7100000             -0.0003230        
  4   6582.0073000             -0.0013330        
  5   2146.4286000             -0.0046672        
  6    774.3378200             -0.0131352        
  7    301.6702000             -0.0290342        
  8    123.4118400             -0.0290173        
  9     38.5675510              0.1002664        
 10     16.6373790              0.2103818        
 11      5.1987950             -0.2332471        
 12      2.2948140             -0.5546497        
 13      0.4852110              0.6969522        
S   1
  1      0.1862700              1.0000000        
S   1
  1      0.0651450              1.0000000        
P   10
  1   4474.2699000              0.0015195        
  2   1060.5790000              0.0127424        
  3    342.2081200              0.0636465        
  4    128.9984200              0.2085635        
  5     53.0872220              0.4122423        
  6     22.9594250              0.3878103        
  7      9.5073000              0.1003820        
  8      4.0830550             -0.0025078        
  9      1.7504460              0.0027139        
 10      0.5291900             -0.0006977        
P   10
  1   4474.2699000             -0.0006208        
  2   1060.5790000             -0.0052212        
  3    342.2081200             -0.0268463        
  4    128.9984200             -0.0915823        
  5     53.0872220             -0.1968164        
  6     22.9594250             -0.1634750        
  7      9.5073000              0.2738204        
  8      4.0830550              0.5981592        
  9      1.7504460              0.2750453        
 10      0.5291900              0.0127706        
P   10
  1   4474.2699000              0.0001701        
  2   1060.5790000              0.0014064        
  3    342.2081200              0.0073963        
  4    128.9984200              0.0248254        
  5     53.0872220              0.0557155        
  6     22.9594250              0.0412132        
  7      9.5073000             -0.0876057        
  8      4.0830550             -0.2440586        
  9      1.7504460             -0.0295007        
 10      0.5291900              0.6012295        
P   1
  1      0.1643690              1.0000000        
P   1
  1      0.0466060              1.0000000        
D   5
  1    115.5253200              0.0219557        
  2     33.4652460              0.1321620        
  3     11.8304590              0.3633484        
  4      4.3397710              0.4929582        
  5      1.5075240              0.2667560        
D   1
  1      0.5030000              1.0000000        
D   1
  1      0.2155000              1.0000000        


name: aug-cc-pVDZ-DK Diffuse
description: 1D Diffuse Functions
elt: Ti
data:
TITANIUM
S   1
  1      1.173000E-02           1.0000000        
P   1
  1      1.172000E-02           1.0000000        
D   1
  1      1.712000E-02           1.0000000        
F   1
  1      8.069000E-02           1.0000000        


name: aug-cc-pVDZ-DK Diffuse
description: 1D Diffuse Functions
elt: V
data:
VANADIUM
S   1
  1      1.232000E-02           1.0000000        
P   1
  1      1.240000E-02           1.0000000        
D   1
  1      2.240000E-02           1.0000000        
F   1
  1      1.281300E-01           1.0000000        


name: aug-cc-pVDZ-DK Diffuse
description: 1D Diffuse Functions
elt: Cr
data:
CHROMIUM
S   1
  1      1.247000E-02           1.0000000        
P   1
  1      1.307000E-02           1.0000000        
D   1
  1      2.498000E-02           1.0000000        
F   1
  1      1.724900E-01           1.0000000        


name: aug-cc-pVDZ-DK Diffuse
description: 1D Diffuse Functions
elt: Mn
data:
MANGANESE
S   1
  1      1.335000E-02           1.0000000        
P   1
  1      1.376000E-02           1.0000000        
D   1
  1      2.853000E-02           1.0000000        
F   1
  1      2.176400E-01           1.0000000        


name: aug-cc-pVDZ-DK Diffuse
description: 1D Diffuse Functions
elt: Fe
data:
IRON
S   1
  1      1.401000E-02           1.0000000        
P   1
  1      1.401000E-02           1.0000000        
D   1
  1      3.216000E-02           1.0000000        
F   1
  1      2.672300E-01           1.0000000        


name: aug-cc-pVDZ-DK Diffuse
description: 1D Diffuse Functions
elt: Co
data:
COBALT
S   1
  1      1.459000E-02           1.0000000        
P   1
  1      1.520000E-02           1.0000000        
D   1
  1      3.598000E-02           1.0000000        
F   1
  1      3.204100E-01           1.0000000        


name: aug-cc-pVDZ-DK Diffuse
description: 1D Diffuse Functions
elt: Ni
data:
NICKEL
S   1
  1      1.516000E-02           1.0000000        
P   1
  1      1.494000E-02           1.0000000        
D   1
  1      3.999000E-02           1.0000000        
F   1
  1      3.772500E-01           1.0000000        


name: aug-cc-pVDZ-DK Diffuse
description: 1D Diffuse Functions
elt: Cu
data:
COPPER
S   1
  1      1.572000E-02           1.0000000        
P   1
  1      1.538000E-02           1.0000000        
D   1
  1      6.489000E-02           1.0000000        
F   1
  1      4.516500E-01           1.0000000        


name: aug-cc-pVDZ-DK Diffuse
description: 1D Diffuse Functions
elt: Zn
data:
ZINC
S   1
  1      1.623000E-02           1.0000000        
P   1
  1      1.582000E-02           1.0000000        
D   1
  1      8.897000E-02           1.0000000        
F   1
  1      5.365400E-01           1.0000000        


name: aug-cc-pVDZ-DK
description: V5ZPD All-electron Douglas-Kroll Valence Quintuple Zeta + Polarization
elt: H
data:
HYDROGEN
S   3
  1     13.0100000              0.0196977        
  2      1.9620000              0.1379911        
  3      0.4446000              0.4781418        
S   1
  1      0.1220000              1.0000000        
S   1
  1      0.0297400              1.0000000        
P   1
  1      0.7270000              1.0000000        
P   1
  1      0.1410000              1.0000000        


name: aug-cc-pVDZ-DK
description: V5ZPD All-electron Douglas-Kroll Valence Quintuple Zeta + Polarization
elt: He
data:
HELIUM
S   3
  1     38.3600000              0.0238545        
  2      5.7700000              0.1549249        
  3      1.2400000              0.4699567        
S   1
  1      0.2976000              1.0000000        
S   1
  1      0.0725500              1.0000000        
P   1
  1      1.2750000              1.0000000        
P   1
  1      0.2473000              1.0000000        


name: aug-cc-pVDZ-DK
description: V5ZPD All-electron Douglas-Kroll Valence Quintuple Zeta + Polarization
elt: Li
data:
LITHIUM
S   8
  1   1469.0000000              0.0008088        
  2    220.5000000              0.0059351        
  3     50.2600000              0.0297426        
  4     14.2400000              0.1092518        
  5      4.5810000              0.2828208        
  6      1.5800000              0.4530721        
  7      0.5640000              0.2747044        
  8      0.0734500              0.0097522        
S   8
  1   1469.0000000             -0.0001265        
  2    220.5000000             -0.0009296        
  3     50.2600000             -0.0047009        
  4     14.2400000             -0.0176977        
  5      4.5810000             -0.0489110        
  6      1.5800000             -0.0960241        
  7      0.5640000             -0.1363226        
  8      0.0734500              0.5752286        
S   1
  1      0.0280500              1.0000000        
S   1
  1      0.0086400              1.0000000        
P   3
  1      1.5340000              0.0227857        
  2      0.2749000              0.1391025        
  3      0.0736200              0.5003752        
P   1
  1      0.0240300              1.0000000        
P   1
  1      0.0057900              1.0000000        
D   1
  1      0.1239000              1.0000000        
D   1
  1      0.0725000              1.0000000        


name: aug-cc-pVDZ-DK
description: V5ZPD All-electron Douglas-Kroll Valence Quintuple Zeta + Polarization
elt: Be
data:
BERYLLIUM
S   8
  1   2940.0000000              0.0007540        
  2    441.2000000              0.0053133        
  3    100.5000000              0.0267325        
  4     28.4300000              0.1001318        
  5      9.1690000              0.2697812        
  6      3.1960000              0.4513833        
  7      1.1590000              0.2949205        
  8      0.1811000              0.0125867        
S   8
  1   2940.0000000             -0.0001366        
  2    441.2000000             -0.0009801        
  3    100.5000000             -0.0048561        
  4     28.4300000             -0.0193487        
  5      9.1690000             -0.0533058        
  6      3.1960000             -0.1207608        
  7      1.1590000             -0.1332909        
  8      0.1811000              0.5309727        
S   1
  1      0.0589000              1.0000000        
S   1
  1      0.0187700              1.0000000        
P   3
  1      3.6190000              0.0291050        
  2      0.7110000              0.1694665        
  3      0.1951000              0.5129691        
P   1
  1      0.0601800              1.0000000        
P   1
  1      0.0085000              1.0000000        
D   1
  1      0.2380000              1.0000000        
D   1
  1      0.0740000              1.0000000        


name: aug-cc-pVDZ-DK
description: V5ZPD All-electron Douglas-Kroll Valence Quintuple Zeta + Polarization
elt: B
data:
BORON
S   8
  1   4570.0000000              0.0008100        
  2    685.9000000              0.0054774        
  3    156.5000000              0.0273355        
  4     44.4700000              0.1016067        
  5     14.4800000              0.2721905        
  6      5.1310000              0.4482545        
  7      1.8980000              0.2898816        
  8      0.3329000              0.0143047        
S   8
  1   4570.0000000             -0.0001625        
  2    685.9000000             -0.0011233        
  3    156.5000000             -0.0054882        
  4     44.4700000             -0.0219811        
  5     14.4800000             -0.0598059        
  6      5.1310000             -0.1388011        
  7      1.8980000             -0.1312193        
  8      0.3329000              0.5399343        
S   1
  1      0.1043000              1.0000000        
S   1
  1      0.0310500              1.0000000        
P   3
  1      6.0010000              0.0355071        
  2      1.2410000              0.1980586        
  3      0.3364000              0.5051304        
P   1
  1      0.0953800              1.0000000        
P   1
  1      0.0237800              1.0000000        
D   1
  1      0.3430000              1.0000000        
D   1
  1      0.0904000              1.0000000        


name: aug-cc-pVDZ-DK
description: V5ZPD All-electron Douglas-Kroll Valence Quintuple Zeta + Polarization
elt: C
data:
CARBON
S   8
  1   6665.0000000              0.0008517        
  2   1000.0000000              0.0055121        
  3    228.0000000              0.0273690        
  4     64.7100000              0.1020568        
  5     21.0600000              0.2749479        
  6      7.4950000              0.4483409        
  7      2.7970000              0.2847131        
  8      0.5215000              0.0151750        
S   8
  1   6665.0000000             -0.0001803        
  2   1000.0000000             -0.0011949        
  3    228.0000000             -0.0057943        
  4     64.7100000             -0.0234166        
  5     21.0600000             -0.0640500        
  6      7.4950000             -0.1500919        
  7      2.7970000             -0.1268376        
  8      0.5215000              0.5451602        
S   1
  1      0.1596000              1.0000000        
S   1
  1      0.0469000              1.0000000        
P   3
  1      9.4390000              0.0381635        
  2      2.0020000              0.2094925        
  3      0.5456000              0.5084477        
P   1
  1      0.1517000              1.0000000        
P   1
  1      0.0404100              1.0000000        
D   1
  1      0.5500000              1.0000000        
D   1
  1      0.1510000              1.0000000        


name: aug-cc-pVDZ-DK
description: V5ZPD All-electron Douglas-Kroll Valence Quintuple Zeta + Polarization
elt: N
data:
NITROGEN
S   8
  1   9046.0000000              0.0009106        
  2   1357.0000000              0.0056444        
  3    309.3000000              0.0278072        
  4     87.7300000              0.1036805        
  5     28.5600000              0.2790142        
  6     10.2100000              0.4482216        
  7      3.8380000              0.2777373        
  8      0.7466000              0.0153993        
S   8
  1   9046.0000000             -0.0001995        
  2   1357.0000000             -0.0012669        
  3    309.3000000             -0.0060906        
  4     87.7300000             -0.0246970        
  5     28.5600000             -0.0676028        
  6     10.2100000             -0.1582335        
  7      3.8380000             -0.1212060        
  8      0.7466000              0.5498871        
S   1
  1      0.2248000              1.0000000        
S   1
  1      0.0612400              1.0000000        
P   3
  1     13.5500000              0.0400103        
  2      2.9170000              0.2172132        
  3      0.7973000              0.5101907        
P   1
  1      0.2185000              1.0000000        
P   1
  1      0.0561100              1.0000000        
D   1
  1      0.8170000              1.0000000        
D   1
  1      0.2300000              1.0000000        


name: aug-cc-pVDZ-DK
description: V5ZPD All-electron Douglas-Kroll Valence Quintuple Zeta + Polarization
elt: O
data:
OXYGEN
S   8
  1  11720.0000000              0.0009775        
  2   1759.0000000              0.0058106        
  3    400.8000000              0.0283649        
  4    113.7000000              0.1054311        
  5     37.0300000              0.2834470        
  6     13.2700000              0.4482844        
  7      5.0250000              0.2702944        
  8      1.0130000              0.0154031        
S   8
  1  11720.0000000             -0.0002206        
  2   1759.0000000             -0.0013435        
  3    400.8000000             -0.0064010        
  4    113.7000000             -0.0259275        
  5     37.0300000             -0.0711286        
  6     13.2700000             -0.1656153        
  7      5.0250000             -0.1160807        
  8      1.0130000              0.5585241        
S   1
  1      0.3023000              1.0000000        
S   1
  1      0.0789600              1.0000000        
P   3
  1     17.7000000              0.0431553        
  2      3.8540000              0.2289863        
  3      1.0460000              0.5086083        
P   1
  1      0.2753000              1.0000000        
P   1
  1      0.0685600              1.0000000        
D   1
  1      1.1850000              1.0000000        
D   1
  1      0.3320000              1.0000000        


name: aug-cc-pVDZ-DK
description: V5ZPD All-electron Douglas-Kroll Valence Quintuple Zeta + Polarization
elt: F
data:
FLUORINE
S   8
  1  14710.0000000              0.0010485        
  2   2207.0000000              0.0059913        
  3    502.8000000              0.0289399        
  4    142.6000000              0.1072562        
  5     46.4700000              0.2873039        
  6     16.7000000              0.4480684        
  7      6.3560000              0.2639263        
  8      1.3160000              0.0152658        
S   8
  1  14710.0000000             -0.0002416        
  2   2207.0000000             -0.0014140        
  3    502.8000000             -0.0066702        
  4    142.6000000             -0.0269705        
  5     46.4700000             -0.0739670        
  6     16.7000000             -0.1710341        
  7      6.3560000             -0.1111695        
  8      1.3160000              0.5643084        
S   1
  1      0.3897000              1.0000000        
S   1
  1      0.0986300              1.0000000        
P   3
  1     22.6700000              0.0450688        
  2      4.9770000              0.2358286        
  3      1.3470000              0.5083765        
P   1
  1      0.3471000              1.0000000        
P   1
  1      0.0850200              1.0000000        
D   1
  1      1.6400000              1.0000000        
D   1
  1      0.4640000              1.0000000        


name: aug-cc-pVDZ-DK
description: V5ZPD All-electron Douglas-Kroll Valence Quintuple Zeta + Polarization
elt: Ne
data:
NEON
S   8
  1  17880.0000000              0.0011307        
  2   2683.0000000              0.0062267        
  3    611.5000000              0.0297204        
  4    173.5000000              0.1095553        
  5     56.6400000              0.2915077        
  6     20.4200000              0.4475884        
  7      7.8100000              0.2570002        
  8      1.6530000              0.0149818        
S   8
  1  17880.0000000             -0.0002646        
  2   2683.0000000             -0.0014920        
  3    611.5000000             -0.0069592        
  4    173.5000000             -0.0280213        
  5     56.6400000             -0.0765658        
  6     20.4200000             -0.1755371        
  7      7.8100000             -0.1055539        
  8      1.6530000              0.5688922        
S   1
  1      0.4869000              1.0000000        
S   1
  1      0.1230000              1.0000000        
P   3
  1     28.3900000              0.0463396        
  2      6.2700000              0.2403369        
  3      1.6950000              0.5085722        
P   1
  1      0.4317000              1.0000000        
P   1
  1      0.1064000              1.0000000        
D   1
  1      2.2020000              1.0000000        
D   1
  1      0.6310000              1.0000000        


name: aug-cc-pVDZ-DK
description: V5ZPD All-electron Douglas-Kroll Valence Quintuple Zeta + Polarization
elt: Na
data:
SODIUM
S   11
  1  31700.0000000              0.0008311        
  2   4755.0000000              0.0041340        
  3   1082.0000000              0.0191397        
  4    306.4000000              0.0728293        
  5     99.5300000              0.2133784        
  6     35.4200000              0.4159265        
  7     13.3000000              0.3715352        
  8      4.3920000              0.0621051        
  9      1.6760000             -0.0061919        
 10      0.5889000              0.0024142        
 11      0.0564000             -0.0004383        
S   11
  1  31700.0000000             -0.0002038        
  2   4755.0000000             -0.0010156        
  3   1082.0000000             -0.0047499        
  4    306.4000000             -0.0185222        
  5     99.5300000             -0.0585794        
  6     35.4200000             -0.1380784        
  7     13.3000000             -0.1930778        
  8      4.3920000              0.0879880        
  9      1.6760000              0.6050688        
 10      0.5889000              0.4394039        
 11      0.0564000              0.0128079        
S   11
  1  31700.0000000              0.0000309        
  2   4755.0000000              0.0001529        
  3   1082.0000000              0.0007238        
  4    306.4000000              0.0027815        
  5     99.5300000              0.0090308        
  6     35.4200000              0.0208612        
  7     13.3000000              0.0317768        
  8      4.3920000             -0.0194200        
  9      1.6760000             -0.1031810        
 10      0.5889000             -0.1979506        
 11      0.0564000              0.6591622        
S   1
  1      0.0230700              1.0000000        
S   1
  1      0.0072500              1.0000000        
P   7
  1    138.1000000              0.0059396        
  2     32.2400000              0.0418154        
  3      9.9850000              0.1631422        
  4      3.4840000              0.3593556        
  5      1.2310000              0.4497397        
  6      0.4177000              0.2275315        
  7      0.0651300              0.0081254        
P   7
  1    138.1000000             -0.0005957        
  2     32.2400000             -0.0040976        
  3      9.9850000             -0.0168211        
  4      3.4840000             -0.0353193        
  5      1.2310000             -0.0521735        
  6      0.4177000             -0.0168239        
  7      0.0651300              0.4346322        
P   1
  1      0.0205300              1.0000000        
P   1
  1      0.0063300              1.0000000        
D   1
  1      0.0973000              1.0000000        
D   1
  1      0.0468000              1.0000000        


name: aug-cc-pVDZ-DK
description: V5ZPD All-electron Douglas-Kroll Valence Quintuple Zeta + Polarization
elt: Mg
data:
MAGNESIUM
S   11
  1  47390.0000000              0.0007178        
  2   7108.0000000              0.0033145        
  3   1618.0000000              0.0147967        
  4    458.4000000              0.0564860        
  5    149.3000000              0.1710009        
  6     53.5900000              0.3648575        
  7     20.7000000              0.4052922        
  8      8.3840000              0.1341815        
  9      2.5420000              0.0048781        
 10      0.8787000              0.0002821        
 11      0.1077000              0.0000277        
S   11
  1  47390.0000000             -0.0001825        
  2   7108.0000000             -0.0008391        
  3   1618.0000000             -0.0038204        
  4    458.4000000             -0.0146306        
  5    149.3000000             -0.0482828        
  6     53.5900000             -0.1154055        
  7     20.7000000             -0.2004640        
  8      8.3840000             -0.0317073        
  9      2.5420000              0.5725837        
 10      0.8787000              0.5391743        
 11      0.1077000              0.0214564        
S   11
  1  47390.0000000              0.0000352        
  2   7108.0000000              0.0001616        
  3   1618.0000000              0.0007401        
  4    458.4000000              0.0028164        
  5    149.3000000              0.0094299        
  6     53.5900000              0.0224423        
  7     20.7000000              0.0410435        
  8      8.3840000              0.0050180        
  9      2.5420000             -0.1350467        
 10      0.8787000             -0.2547294        
 11      0.1077000              0.6092437        
S   1
  1      0.0399900              1.0000000        
S   1
  1      0.0148800              1.0000000        
P   7
  1    179.9000000              0.0055546        
  2     42.1400000              0.0395455        
  3     13.1300000              0.1578179        
  4      4.6280000              0.3585344        
  5      1.6700000              0.4569075        
  6      0.5857000              0.2158495        
  7      0.1311000              0.0067001        
P   7
  1    179.9000000             -0.0008908        
  2     42.1400000             -0.0061865        
  3     13.1300000             -0.0261337        
  4      4.6280000             -0.0568221        
  5      1.6700000             -0.0871624        
  6      0.5857000             -0.0121730        
  7      0.1311000              0.4982604        
P   1
  1      0.0411200              1.0000000        
P   1
  1      0.0093500              1.0000000        
D   1
  1      0.1870000              1.0000000        
D   1
  1      0.0595000              1.0000000        


name: aug-cc-pVDZ-DK
description: V5ZPD All-electron Douglas-Kroll Valence Quintuple Zeta + Polarization
elt: Al
data:
ALUMINUM
S   11
  1  64150.0000000              0.0006736        
  2   9617.0000000              0.0029457        
  3   2189.0000000              0.0127173        
  4    620.5000000              0.0482122        
  5    202.7000000              0.1479148        
  6     73.1500000              0.3307763        
  7     28.5500000              0.4142651        
  8     11.7700000              0.1878554        
  9      3.3000000              0.0114868        
 10      1.1730000             -0.0012718        
 11      0.1752000              0.0004225        
S   11
  1  64150.0000000             -0.0001763        
  2   9617.0000000             -0.0007667        
  3   2189.0000000             -0.0033824        
  4    620.5000000             -0.0127779        
  5    202.7000000             -0.0426908        
  6     73.1500000             -0.1039923        
  7     28.5500000             -0.1964148        
  8     11.7700000             -0.0801420        
  9      3.3000000              0.5440095        
 10      1.1730000              0.5750364        
 11      0.1752000              0.0282815        
S   11
  1  64150.0000000              0.0000407        
  2   9617.0000000              0.0001769        
  3   2189.0000000              0.0007821        
  4    620.5000000              0.0029518        
  5    202.7000000              0.0099318        
  6     73.1500000              0.0243442        
  7     28.5500000              0.0474816        
  8     11.7700000              0.0197081        
  9      3.3000000             -0.1602974        
 10      1.1730000             -0.3096187        
 11      0.1752000              0.6239180        
S   1
  1      0.0647300              1.0000000        
S   1
  1      0.0231000              1.0000000        
P   7
  1    258.8000000              0.0042537        
  2     60.8900000              0.0310267        
  3     19.1400000              0.1296450        
  4      6.8810000              0.3209730        
  5      2.5740000              0.4534894        
  6      0.9572000              0.2747866        
  7      0.2099000              0.0191205        
P   7
  1    258.8000000             -0.0007811        
  2     60.8900000             -0.0055179        
  3     19.1400000             -0.0246142        
  4      6.8810000             -0.0581875        
  5      2.5740000             -0.0982407        
  6      0.9572000             -0.0258070        
  7      0.2099000              0.4633873        
P   1
  1      0.0598600              1.0000000        
P   1
  1      0.0153000              1.0000000        
D   1
  1      0.1890000              1.0000000        
D   1
  1      0.0535000              1.0000000        


name: aug-cc-pVDZ-DK
description: V5ZPD All-electron Douglas-Kroll Valence Quintuple Zeta + Polarization
elt: Si
data:
SILICON
S   11
  1  78860.0000000              0.0006815        
  2  11820.0000000              0.0028736        
  3   2692.0000000              0.0120698        
  4    763.4000000              0.0453586        
  5    249.6000000              0.1395458        
  6     90.2800000              0.3173537        
  7     35.2900000              0.4168447        
  8     14.5100000              0.2084412        
  9      4.0530000              0.0143428        
 10      1.4820000             -0.0020126        
 11      0.2517000              0.0006174        
S   11
  1  78860.0000000             -0.0001827        
  2  11820.0000000             -0.0007666        
  3   2692.0000000             -0.0032882        
  4    763.4000000             -0.0123094        
  5    249.6000000             -0.0411277        
  6     90.2800000             -0.1013628        
  7     35.2900000             -0.1967629        
  8     14.5100000             -0.0990262        
  9      4.0530000              0.5309218        
 10      1.4820000              0.5887603        
 11      0.2517000              0.0325794        
S   11
  1  78860.0000000              0.0000468        
  2  11820.0000000              0.0001964        
  3   2692.0000000              0.0008420        
  4    763.4000000              0.0031628        
  5    249.6000000              0.0105819        
  6     90.2800000              0.0264728        
  7     35.2900000              0.0524161        
  8     14.5100000              0.0282323        
  9      4.0530000             -0.1800982        
 10      1.4820000             -0.3441170        
 11      0.2517000              0.6275986        
S   1
  1      0.0924300              1.0000000        
S   1
  1      0.0332000              1.0000000        
P   7
  1    315.9000000              0.0041444        
  2     74.4200000              0.0302971        
  3     23.4800000              0.1278303        
  4      8.4880000              0.3211623        
  5      3.2170000              0.4550327        
  6      1.2290000              0.2681699        
  7      0.2964000              0.0188480        
P   7
  1    315.9000000             -0.0009048        
  2     74.4200000             -0.0063916        
  3     23.4800000             -0.0289531        
  4      8.4880000             -0.0694552        
  5      3.2170000             -0.1193365        
  6      1.2290000             -0.0196342        
  7      0.2964000              0.5098641        
P   1
  1      0.0876800              1.0000000        
P   1
  1      0.0250000              1.0000000        
D   1
  1      0.2750000              1.0000000        
D   1
  1      0.0823000              1.0000000        


name: aug-cc-pVDZ-DK
description: V5ZPD All-electron Douglas-Kroll Valence Quintuple Zeta + Polarization
elt: P
data:
PHOSPHOROUS
S   11
  1  94840.0000000              0.0006956        
  2  14220.0000000              0.0028421        
  3   3236.0000000              0.0116561        
  4    917.1000000              0.0433935        
  5    299.5000000              0.1341765        
  6    108.1000000              0.3095842        
  7     42.1800000              0.4187323        
  8     17.2800000              0.2207409        
  9      4.8580000              0.0162017        
 10      1.8180000             -0.0025086        
 11      0.3372000              0.0007383        
S   11
  1  94840.0000000             -0.0001903        
  2  14220.0000000             -0.0007743        
  3   3236.0000000             -0.0032408        
  4    917.1000000             -0.0120211        
  5    299.5000000             -0.0402672        
  6    108.1000000             -0.1005414        
  7     42.1800000             -0.1983197        
  8     17.2800000             -0.1109545        
  9      4.8580000              0.5231147        
 10      1.8180000              0.5965584        
 11      0.3372000              0.0360259        
S   11
  1  94840.0000000              0.0000523        
  2  14220.0000000              0.0002129        
  3   3236.0000000              0.0008890        
  4    917.1000000              0.0033187        
  5    299.5000000              0.0110884        
  6    108.1000000              0.0282751        
  7     42.1800000              0.0564463        
  8     17.2800000              0.0347289        
  9      4.8580000             -0.1961133        
 10      1.8180000             -0.3685818        
 11      0.3372000              0.6296116        
S   1
  1      0.1232000              1.0000000        
S   1
  1      0.0417000              1.0000000        
P   7
  1    370.5000000              0.0042075        
  2     87.3300000              0.0307497        
  3     27.5900000              0.1303114        
  4     10.0000000              0.3278826        
  5      3.8250000              0.4565077        
  6      1.4940000              0.2525705        
  7      0.3921000              0.0168823        
P   7
  1    370.5000000             -0.0010213        
  2     87.3300000             -0.0072319        
  3     27.5900000             -0.0328950        
  4     10.0000000             -0.0796019        
  5      3.8250000             -0.1348259        
  6      1.4940000             -0.0086235        
  7      0.3921000              0.5375353        
P   1
  1      0.1186000              1.0000000        
P   1
  1      0.0343000              1.0000000        
D   1
  1      0.3730000              1.0000000        
D   1
  1      0.1130000              1.0000000        


name: aug-cc-pVDZ-DK
description: V5ZPD All-electron Douglas-Kroll Valence Quintuple Zeta + Polarization
elt: S
data:
SULFUR
S   11
  1 110800.0000000              0.0007215        
  2  16610.0000000              0.0028720        
  3   3781.0000000              0.0115194        
  4   1071.0000000              0.0424617        
  5    349.8000000              0.1311104        
  6    126.3000000              0.3046040        
  7     49.2600000              0.4193121        
  8     20.1600000              0.2282718        
  9      5.7200000              0.0176436        
 10      2.1820000             -0.0029299        
 11      0.4327000              0.0008367        
S   11
  1 110800.0000000             -0.0002010        
  2  16610.0000000             -0.0007969        
  3   3781.0000000             -0.0032599        
  4   1071.0000000             -0.0119806        
  5    349.8000000             -0.0400080        
  6    126.3000000             -0.1005679        
  7     49.2600000             -0.2001709        
  8     20.1600000             -0.1188477        
  9      5.7200000              0.5185418        
 10      2.1820000              0.6009686        
 11      0.4327000              0.0386850        
S   11
  1 110800.0000000              0.0000583        
  2  16610.0000000              0.0002317        
  3   3781.0000000              0.0009442        
  4   1071.0000000              0.0035003        
  5    349.8000000              0.0116247        
  6    126.3000000              0.0299867        
  7     49.2600000              0.0600636        
  8     20.1600000              0.0399813        
  9      5.7200000             -0.2109019        
 10      2.1820000             -0.3885008        
 11      0.4327000              0.6389962        
S   1
  1      0.1570000              1.0000000        
S   1
  1      0.0507000              1.0000000        
P   7
  1    399.7000000              0.0047937        
  2     94.1900000              0.0347928        
  3     29.7500000              0.1451669        
  4     10.7700000              0.3542203        
  5      4.1190000              0.4584235        
  6      1.6250000              0.2058117        
  7      0.4726000              0.0102234        
P   7
  1    399.7000000             -0.0012442        
  2     94.1900000             -0.0088187        
  3     29.7500000             -0.0393306        
  4     10.7700000             -0.0934934        
  5      4.1190000             -0.1477061        
  6      1.6250000              0.0308319        
  7      0.4726000              0.5613096        
P   1
  1      0.1407000              1.0000000        
P   1
  1      0.0399000              1.0000000        
D   1
  1      0.4790000              1.0000000        
D   1
  1      0.1520000              1.0000000        


name: aug-cc-pVDZ-DK
description: V5ZPD All-electron Douglas-Kroll Valence Quintuple Zeta + Polarization
elt: Cl
data:
CHLORINE
S   11
  1 127900.0000000              0.0007497        
  2  19170.0000000              0.0029170        
  3   4363.0000000              0.0114534        
  4   1236.0000000              0.0417491        
  5    403.6000000              0.1287741        
  6    145.7000000              0.3006785        
  7     56.8100000              0.4195476        
  8     23.2300000              0.2342971        
  9      6.6440000              0.0188435        
 10      2.5750000             -0.0032902        
 11      0.5371000              0.0009137        
S   11
  1 127900.0000000             -0.0002120        
  2  19170.0000000             -0.0008223        
  3   4363.0000000             -0.0032917        
  4   1236.0000000             -0.0119686        
  5    403.6000000             -0.0398788        
  6    145.7000000             -0.1007232        
  7     56.8100000             -0.2019238        
  8     23.2300000             -0.1251436        
  9      6.6440000              0.5156793        
 10      2.5750000              0.6036405        
 11      0.5371000              0.0409998        
S   11
  1 127900.0000000              0.0000641        
  2  19170.0000000              0.0002493        
  3   4363.0000000              0.0009932        
  4   1236.0000000              0.0036490        
  5    403.6000000              0.0120657        
  6    145.7000000              0.0313839        
  7     56.8100000              0.0630662        
  8     23.2300000              0.0444061        
  9      6.6440000             -0.2234945        
 10      2.5750000             -0.4034348        
 11      0.5371000              0.6454547        
S   1
  1      0.1938000              1.0000000        
S   1
  1      0.0608000              1.0000000        
P   7
  1    417.6000000              0.0056562        
  2     98.3300000              0.0406072        
  3     31.0400000              0.1657433        
  4     11.1900000              0.3875622        
  5      4.2490000              0.4561525        
  6      1.6240000              0.1510753        
  7      0.5322000              0.0018524        
P   7
  1    417.6000000             -0.0015435        
  2     98.3300000             -0.0109957        
  3     31.0400000             -0.0473146        
  4     11.1900000             -0.1110564        
  5      4.2490000             -0.1527934        
  6      1.6240000              0.0902488        
  7      0.5322000              0.5790746        
P   1
  1      0.1620000              1.0000000        
P   1
  1      0.0466000              1.0000000        
D   1
  1      0.6000000              1.0000000        
D   1
  1      0.1960000              1.0000000        


name: aug-cc-pVDZ-DK
description: V5ZPD All-electron Douglas-Kroll Valence Quintuple Zeta + Polarization
elt: Ar
data:
ARGON
S   11
  1 145700.0000000              0.0007819        
  2  21840.0000000              0.0029793        
  3   4972.0000000              0.0114728        
  4   1408.0000000              0.0413528        
  5    459.7000000              0.1272786        
  6    165.9000000              0.2980274        
  7     64.6900000              0.4194869        
  8     26.4400000              0.2383968        
  9      7.6280000              0.0196834        
 10      2.9960000             -0.0035396        
 11      0.6504000              0.0009560        
S   11
  1 145700.0000000             -0.0002242        
  2  21840.0000000             -0.0008517        
  3   4972.0000000             -0.0033425        
  4   1408.0000000             -0.0120238        
  5    459.7000000             -0.0399435        
  6    165.9000000             -0.1011846        
  7     64.6900000             -0.2037182        
  8     26.4400000             -0.1297272        
  9      7.6280000              0.5143673        
 10      2.9960000              0.6048173        
 11      0.6504000              0.0429665        
S   11
  1 145700.0000000              0.0000700        
  2  21840.0000000              0.0002668        
  3   4972.0000000              0.0010416        
  4   1408.0000000              0.0037904        
  5    459.7000000              0.0124761        
  6    165.9000000              0.0326374        
  7     64.6900000              0.0656755        
  8     26.4400000              0.0480165        
  9      7.6280000             -0.2347575        
 10      2.9960000             -0.4146406        
 11      0.6504000              0.6501973        
S   1
  1      0.2337000              1.0000000        
S   1
  1      0.0709000              1.0000000        
P   7
  1    453.7000000              0.0061759        
  2    106.8000000              0.0439690        
  3     33.7300000              0.1778638        
  4     12.1300000              0.4070852        
  5      4.5940000              0.4513756        
  6      1.6780000              0.1222191        
  7      0.5909000             -0.0043985        
P   7
  1    453.7000000             -0.0017393        
  2    106.8000000             -0.0124412        
  3     33.7300000             -0.0524542        
  4     12.1300000             -0.1237693        
  5      4.5940000             -0.1509115        
  6      1.6780000              0.1433727        
  7      0.5909000              0.5839918        
P   1
  1      0.1852000              1.0000000        
P   1
  1      0.0533000              1.0000000        
D   1
  1      0.7380000              1.0000000        
D   1
  1      0.2400000              1.0000000        


name: aug-cc-pVDZ-DK
description: V5ZPD All-electron Douglas-Kroll Valence Quintuple Zeta + Polarization
elt: Sc
data:
SCANDIUM
S   19
  1      2.715278E+06           1.060000E-04     
  2      4.065984E+05           3.170000E-04     
  3      9.253004E+04           9.050000E-04     
  4      2.620792E+04           2.464000E-03     
  5      8.549429E+03           6.780000E-03     
  6      3.085975E+03           1.867900E-02     
  7      1.203172E+03           4.941800E-02     
  8      4.984869E+02           1.172100E-01     
  9      2.167360E+02           2.280410E-01     
 10      9.787476E+01           3.098720E-01     
 11      4.520433E+01           2.175500E-01     
 12      2.021187E+01           7.248600E-02     
 13      9.574751E+00           1.159500E-01     
 14      4.540346E+00           1.166380E-01     
 15      1.995687E+00           1.982300E-02     
 16      9.422150E-01          -4.880000E-04     
 17      4.178450E-01           1.830000E-04     
 18      9.576100E-02          -7.000000E-05     
 19      5.135100E-02           6.300000E-05     
S   19
  1      2.715278E+06          -6.100000E-05     
  2      4.065984E+05          -1.820000E-04     
  3      9.253004E+04          -5.200000E-04     
  4      2.620792E+04          -1.417000E-03     
  5      8.549429E+03          -3.912000E-03     
  6      3.085975E+03          -1.085300E-02     
  7      1.203172E+03          -2.915500E-02     
  8      4.984869E+02          -7.160000E-02     
  9      2.167360E+02          -1.504450E-01     
 10      9.787476E+01          -2.435420E-01     
 11      4.520433E+01          -2.334530E-01     
 12      2.021187E+01           4.499700E-02     
 13      9.574751E+00           4.960340E-01     
 14      4.540346E+00           4.848560E-01     
 15      1.995687E+00           8.756700E-02     
 16      9.422150E-01          -5.283000E-03     
 17      4.178450E-01           6.420000E-04     
 18      9.576100E-02          -6.970000E-04     
 19      5.135100E-02           5.790000E-04     
S   19
  1      2.715278E+06           1.200000E-05     
  2      4.065984E+05           3.600000E-05     
  3      9.253004E+04           1.020000E-04     
  4      2.620792E+04           2.800000E-04     
  5      8.549429E+03           7.740000E-04     
  6      3.085975E+03           2.163000E-03     
  7      1.203172E+03           5.883000E-03     
  8      4.984869E+02           1.488700E-02     
  9      2.167360E+02           3.313200E-02     
 10      9.787476E+01           6.028500E-02     
 11      4.520433E+01           6.745900E-02     
 12      2.021187E+01          -2.501500E-02     
 13      9.574751E+00          -2.708040E-01     
 14      4.540346E+00          -4.320030E-01     
 15      1.995687E+00           7.649300E-02     
 16      9.422150E-01           7.030970E-01     
 17      4.178450E-01           4.425890E-01     
 18      9.576100E-02           2.813800E-02     
 19      5.135100E-02          -1.221900E-02     
S   19
  1      2.715278E+06          -3.000000E-06     
  2      4.065984E+05          -9.000000E-06     
  3      9.253004E+04          -2.500000E-05     
  4      2.620792E+04          -6.800000E-05     
  5      8.549429E+03          -1.870000E-04     
  6      3.085975E+03          -5.230000E-04     
  7      1.203172E+03          -1.424000E-03     
  8      4.984869E+02          -3.597000E-03     
  9      2.167360E+02          -8.033000E-03     
 10      9.787476E+01          -1.459800E-02     
 11      4.520433E+01          -1.651400E-02     
 12      2.021187E+01           6.289000E-03     
 13      9.574751E+00           6.826300E-02     
 14      4.540346E+00           1.165590E-01     
 15      1.995687E+00          -2.994900E-02     
 16      9.422150E-01          -2.308390E-01     
 17      4.178450E-01          -3.023230E-01     
 18      9.576100E-02           2.699030E-01     
 19      5.135100E-02           5.919260E-01     
S   19
  1      2.715278E+06          -5.000000E-06     
  2      4.065984E+05          -1.500000E-05     
  3      9.253004E+04          -4.300000E-05     
  4      2.620792E+04          -1.190000E-04     
  5      8.549429E+03          -3.170000E-04     
  6      3.085975E+03          -9.330000E-04     
  7      1.203172E+03          -2.369000E-03     
  8      4.984869E+02          -6.551000E-03     
  9      2.167360E+02          -1.299800E-02     
 10      9.787476E+01          -2.788900E-02     
 11      4.520433E+01          -2.265200E-02     
 12      2.021187E+01          -4.673000E-03     
 13      9.574751E+00           1.586420E-01     
 14      4.540346E+00           1.412640E-01     
 15      1.995687E+00           9.343500E-02     
 16      9.422150E-01          -8.973280E-01     
 17      4.178450E-01           5.970600E-02     
 18      9.576100E-02           2.309726E+00     
 19      5.135100E-02          -1.286221E+00     
S   1
  1      2.387800E-02           1.0000000        
S   1
  1      1.110000E-02           1.0000000        
P   15
  1      1.059219E+04           1.010000E-04     
  2      2.507533E+03           5.310000E-04     
  3      8.144571E+02           2.612000E-03     
  4      3.115195E+02           1.062400E-02     
  5      1.319617E+02           3.597500E-02     
  6      5.998718E+01           9.924200E-02     
  7      2.866250E+01           2.117340E-01     
  8      1.410851E+01           3.300720E-01     
  9      7.103706E+00           3.297560E-01     
 10      3.609200E+00           1.568380E-01     
 11      1.776070E+00           2.180500E-02     
 12      8.547600E-01          -1.797000E-03     
 13      4.022390E-01          -1.435000E-03     
 14      1.546800E-01          -3.000000E-04     
 15      6.488800E-02           3.700000E-05     
P   15
  1      1.059219E+04          -3.300000E-05     
  2      2.507533E+03          -1.740000E-04     
  3      8.144571E+02          -8.600000E-04     
  4      3.115195E+02          -3.515000E-03     
  5      1.319617E+02          -1.205400E-02     
  6      5.998718E+01          -3.406900E-02     
  7      2.866250E+01          -7.521300E-02     
  8      1.410851E+01          -1.224250E-01     
  9      7.103706E+00          -1.293380E-01     
 10      3.609200E+00           1.627400E-02     
 11      1.776070E+00           3.101820E-01     
 12      8.547600E-01           4.626890E-01     
 13      4.022390E-01           3.035190E-01     
 14      1.546800E-01           5.051500E-02     
 15      6.488800E-02          -4.393000E-03     
P   15
  1      1.059219E+04          -8.000000E-06     
  2      2.507533E+03          -4.200000E-05     
  3      8.144571E+02          -2.100000E-04     
  4      3.115195E+02          -8.550000E-04     
  5      1.319617E+02          -2.952000E-03     
  6      5.998718E+01          -8.312000E-03     
  7      2.866250E+01          -1.853100E-02     
  8      1.410851E+01          -3.003300E-02     
  9      7.103706E+00          -3.264100E-02     
 10      3.609200E+00           8.348000E-03     
 11      1.776070E+00           8.799200E-02     
 12      8.547600E-01           1.519130E-01     
 13      4.022390E-01           9.640600E-02     
 14      1.546800E-01          -2.563870E-01     
 15      6.488800E-02          -5.874490E-01     
P   15
  1      1.059219E+04           1.000000E-05     
  2      2.507533E+03           5.200000E-05     
  3      8.144571E+02           2.530000E-04     
  4      3.115195E+02           1.051000E-03     
  5      1.319617E+02           3.555000E-03     
  6      5.998718E+01           1.021800E-02     
  7      2.866250E+01           2.220400E-02     
  8      1.410851E+01           3.728600E-02     
  9      7.103706E+00           3.782400E-02     
 10      3.609200E+00          -4.972000E-03     
 11      1.776070E+00          -1.112850E-01     
 12      8.547600E-01          -1.627100E-01     
 13      4.022390E-01          -1.826910E-01     
 14      1.546800E-01           3.998710E-01     
 15      6.488800E-02           6.854100E-01     
P   1
  1      2.630100E-02           1.0000000        
P   1
  1      1.066000E-02           1.0000000        
D   7
  1      5.065420E+01           4.252000E-03     
  2      1.473250E+01           2.746500E-02     
  3      5.180460E+00           9.922700E-02     
  4      2.019590E+00           2.299670E-01     
  5      7.992190E-01           3.442870E-01     
  6      3.053160E-01           3.736260E-01     
  7      1.104440E-01           2.680210E-01     
D   7
  1      5.065420E+01          -4.396000E-03     
  2      1.473250E+01          -2.826300E-02     
  3      5.180460E+00          -1.047920E-01     
  4      2.019590E+00          -2.343530E-01     
  5      7.992190E-01          -3.255090E-01     
  6      3.053160E-01          -6.999500E-02     
  7      1.104440E-01           5.949220E-01     
D   1
  1      3.706500E-02           1.0000000        
D   1
  1      1.244000E-02           1.0000000        
F   2
  1      7.126000E-01           3.617450E-01     
  2      1.636000E-01           8.218680E-01     
F   1
  1      4.063000E-02           1.0000000        


name: aug-cc-pVDZ-DK
description: V5ZPD All-electron Douglas-Kroll Valence Quintuple Zeta + Polarization
elt: Ti
data:
TITANIUM
S   19
  1      3.014643E+06           1.120000E-04     
  2      4.514329E+05           3.320000E-04     
  3      1.027338E+05           9.400000E-04     
  4      2.909817E+04           2.532000E-03     
  5      9.492330E+03           6.879000E-03     
  6      3.426346E+03           1.874900E-02     
  7      1.335896E+03           4.929400E-02     
  8      5.535026E+02           1.166940E-01     
  9      2.406925E+02           2.273250E-01     
 10      1.087293E+02           3.105540E-01     
 11      5.026457E+01           2.205840E-01     
 12      2.258004E+01           7.324700E-02     
 13      1.071432E+01           1.131540E-01     
 14      5.093546E+00           1.136590E-01     
 15      2.244183E+00           1.931600E-02     
 16      1.059570E+00          -4.650000E-04     
 17      4.688490E-01           1.590000E-04     
 18      1.061430E-01          -5.900000E-05     
 19      5.526200E-02           6.200000E-05     
S   19
  1      3.014643E+06          -6.300000E-05     
  2      4.514329E+05          -1.890000E-04     
  3      1.027338E+05          -5.350000E-04     
  4      2.909817E+04          -1.443000E-03     
  5      9.492330E+03          -3.933000E-03     
  6      3.426346E+03          -1.079600E-02     
  7      1.335896E+03          -2.882900E-02     
  8      5.535026E+02          -7.067400E-02     
  9      2.406925E+02          -1.487780E-01     
 10      1.087293E+02          -2.420600E-01     
 11      5.026457E+01          -2.347210E-01     
 12      2.258004E+01           4.220600E-02     
 13      1.071432E+01           4.983350E-01     
 14      5.093546E+00           4.868870E-01     
 15      2.244183E+00           8.790400E-02     
 16      1.059570E+00          -5.264000E-03     
 17      4.688490E-01           5.520000E-04     
 18      1.061430E-01          -6.280000E-04     
 19      5.526200E-02           5.530000E-04     
S   19
  1      3.014643E+06           1.300000E-05     
  2      4.514329E+05           3.800000E-05     
  3      1.027338E+05           1.090000E-04     
  4      2.909817E+04           2.940000E-04     
  5      9.492330E+03           8.030000E-04     
  6      3.426346E+03           2.220000E-03     
  7      1.335896E+03           5.999000E-03     
  8      5.535026E+02           1.514900E-02     
  9      2.406925E+02           3.373300E-02     
 10      1.087293E+02           6.156300E-02     
 11      5.026457E+01           6.946200E-02     
 12      2.258004E+01          -2.415500E-02     
 13      1.071432E+01          -2.789840E-01     
 14      5.093546E+00          -4.386710E-01     
 15      2.244183E+00           9.090600E-02     
 16      1.059570E+00           7.091310E-01     
 17      4.688490E-01           4.311640E-01     
 18      1.061430E-01           2.589800E-02     
 19      5.526200E-02          -1.100700E-02     
S   19
  1      3.014643E+06          -3.000000E-06     
  2      4.514329E+05          -9.000000E-06     
  3      1.027338E+05          -2.600000E-05     
  4      2.909817E+04          -7.000000E-05     
  5      9.492330E+03          -1.910000E-04     
  6      3.426346E+03          -5.260000E-04     
  7      1.335896E+03          -1.424000E-03     
  8      5.535026E+02          -3.593000E-03     
  9      2.406925E+02          -8.022000E-03     
 10      1.087293E+02          -1.464600E-02     
 11      5.026457E+01          -1.666100E-02     
 12      2.258004E+01           5.889000E-03     
 13      1.071432E+01           6.934700E-02     
 14      5.093546E+00           1.159210E-01     
 15      2.244183E+00          -3.271700E-02     
 16      1.059570E+00          -2.334140E-01     
 17      4.688490E-01          -2.869410E-01     
 18      1.061430E-01           2.839540E-01     
 19      5.526200E-02           5.841130E-01     
S   19
  1      3.014643E+06          -6.000000E-06     
  2      4.514329E+05          -1.700000E-05     
  3      1.027338E+05          -4.800000E-05     
  4      2.909817E+04          -1.310000E-04     
  5      9.492330E+03          -3.460000E-04     
  6      3.426346E+03          -1.009000E-03     
  7      1.335896E+03          -2.532000E-03     
  8      5.535026E+02          -7.042000E-03     
  9      2.406925E+02          -1.382900E-02     
 10      1.087293E+02          -3.022100E-02     
 11      5.026457E+01          -2.398100E-02     
 12      2.258004E+01          -7.185000E-03     
 13      1.071432E+01           1.758840E-01     
 14      5.093546E+00           1.462460E-01     
 15      2.244183E+00           9.718400E-02     
 16      1.059570E+00          -1.001736E+00     
 17      4.688490E-01           1.999570E-01     
 18      1.061430E-01           2.218104E+00     
 19      5.526200E-02          -1.342323E+00     
S   1
  1      2.546500E-02           1.0000000        
S   1
  1      1.173000E-02           1.0000000        
P   15
  1      1.191203E+04           1.040000E-04     
  2      2.819947E+03           5.330000E-04     
  3      9.159479E+02           2.588000E-03     
  4      3.503842E+02           1.047000E-02     
  5      1.484825E+02           3.547100E-02     
  6      6.753944E+01           9.816400E-02     
  7      3.230332E+01           2.106310E-01     
  8      1.592786E+01           3.301970E-01     
  9      8.038035E+00           3.305000E-01     
 10      4.093916E+00           1.571860E-01     
 11      2.022390E+00           2.196700E-02     
 12      9.761020E-01          -1.761000E-03     
 13      4.595950E-01          -1.430000E-03     
 14      1.771950E-01          -2.900000E-04     
 15      7.344200E-02           3.400000E-05     
P   15
  1      1.191203E+04          -3.500000E-05     
  2      2.819947E+03          -1.790000E-04     
  3      9.159479E+02          -8.700000E-04     
  4      3.503842E+02          -3.541000E-03     
  5      1.484825E+02          -1.215000E-02     
  6      6.753944E+01          -3.447100E-02     
  7      3.230332E+01          -7.659400E-02     
  8      1.592786E+01          -1.256220E-01     
  9      8.038035E+00          -1.320480E-01     
 10      4.093916E+00           1.939600E-02     
 11      2.022390E+00           3.164550E-01     
 12      9.761020E-01           4.614890E-01     
 13      4.595950E-01           2.980100E-01     
 14      1.771950E-01           4.951700E-02     
 15      7.344200E-02          -4.108000E-03     
P   15
  1      1.191203E+04           8.000000E-06     
  2      2.819947E+03           4.300000E-05     
  3      9.159479E+02           2.090000E-04     
  4      3.503842E+02           8.480000E-04     
  5      1.484825E+02           2.925000E-03     
  6      6.753944E+01           8.276000E-03     
  7      3.230332E+01           1.855000E-02     
  8      1.592786E+01           3.034000E-02     
  9      8.038035E+00           3.271500E-02     
 10      4.093916E+00          -8.720000E-03     
 11      2.022390E+00          -8.863600E-02     
 12      9.761020E-01          -1.491650E-01     
 13      4.595950E-01          -9.323200E-02     
 14      1.771950E-01           2.507080E-01     
 15      7.344200E-02           5.861800E-01     
P   15
  1      1.191203E+04           1.000000E-05     
  2      2.819947E+03           5.400000E-05     
  3      9.159479E+02           2.610000E-04     
  4      3.503842E+02           1.071000E-03     
  5      1.484825E+02           3.639000E-03     
  6      6.753944E+01           1.046100E-02     
  7      3.230332E+01           2.298500E-02     
  8      1.592786E+01           3.867200E-02     
  9      8.038035E+00           3.949900E-02     
 10      4.093916E+00          -6.899000E-03     
 11      2.022390E+00          -1.146250E-01     
 12      9.761020E-01          -1.708870E-01     
 13      4.595950E-01          -1.652610E-01     
 14      1.771950E-01           4.058580E-01     
 15      7.344200E-02           6.742340E-01     
P   1
  1      2.933400E-02           1.0000000        
P   1
  1      1.172000E-02           1.0000000        
D   7
  1      6.434020E+01           3.883000E-03     
  2      1.884180E+01           2.620400E-02     
  3      6.719830E+00           9.688700E-02     
  4      2.656130E+00           2.316310E-01     
  5      1.073680E+00           3.519720E-01     
  6      4.205570E-01           3.725630E-01     
  7      1.548170E-01           2.505630E-01     
D   7
  1      6.434020E+01          -3.979000E-03     
  2      1.884180E+01          -2.676400E-02     
  3      6.719830E+00          -1.018940E-01     
  4      2.656130E+00          -2.371110E-01     
  5      1.073680E+00          -3.132860E-01     
  6      4.205570E-01          -4.656300E-02     
  7      1.548170E-01           5.840720E-01     
D   1
  1      5.149000E-02           1.0000000        
D   1
  1      1.712000E-02           1.0000000        
F   2
  1      1.227400E+00           3.581580E-01     
  2      2.788000E-01           8.257940E-01     
F   1
  1      8.069000E-02           1.0000000        


name: aug-cc-pVDZ-DK
description: V5ZPD All-electron Douglas-Kroll Valence Quintuple Zeta + Polarization
elt: V
data:
VANADIUM
S   19
  1      3.321857E+06           1.180000E-04     
  2      4.974356E+05           3.490000E-04     
  3      1.132027E+05           9.820000E-04     
  4      3.206333E+04           2.618000E-03     
  5      1.045962E+04           7.032000E-03     
  6      3.775506E+03           1.896600E-02     
  7      1.472040E+03           4.954400E-02     
  8      6.099331E+02           1.170070E-01     
  9      2.652634E+02           2.280590E-01     
 10      1.198607E+02           3.128050E-01     
 11      5.544891E+01           2.243300E-01     
 12      2.498372E+01           7.358900E-02     
 13      1.188056E+01           1.075150E-01     
 14      5.660311E+00           1.073700E-01     
 15      2.495703E+00           1.804800E-02     
 16      1.177866E+00          -4.330000E-04     
 17      5.200440E-01           1.240000E-04     
 18      1.159650E-01          -4.600000E-05     
 19      5.893800E-02           5.900000E-05     
S   19
  1      3.321857E+06          -6.600000E-05     
  2      4.974356E+05          -1.940000E-04     
  3      1.132027E+05          -5.450000E-04     
  4      3.206333E+04          -1.457000E-03     
  5      1.045962E+04          -3.927000E-03     
  6      3.775506E+03          -1.066800E-02     
  7      1.472040E+03          -2.831600E-02     
  8      6.099331E+02          -6.928800E-02     
  9      2.652634E+02          -1.461110E-01     
 10      1.198607E+02          -2.389450E-01     
 11      5.544891E+01          -2.339170E-01     
 12      2.498372E+01           4.210700E-02     
 13      1.188056E+01           5.024910E-01     
 14      5.660311E+00           4.878150E-01     
 15      2.495703E+00           8.731200E-02     
 16      1.177866E+00          -5.353000E-03     
 17      5.200440E-01           4.350000E-04     
 18      1.159650E-01          -5.700000E-04     
 19      5.893800E-02           5.410000E-04     
S   19
  1      3.321857E+06           1.400000E-05     
  2      4.974356E+05           4.100000E-05     
  3      1.132027E+05           1.150000E-04     
  4      3.206333E+04           3.080000E-04     
  5      1.045962E+04           8.330000E-04     
  6      3.775506E+03           2.278000E-03     
  7      1.472040E+03           6.117000E-03     
  8      6.099331E+02           1.540800E-02     
  9      2.652634E+02           3.430100E-02     
 10      1.198607E+02           6.272200E-02     
 11      5.544891E+01           7.104700E-02     
 12      2.498372E+01          -2.411900E-02     
 13      1.188056E+01          -2.872100E-01     
 14      5.660311E+00          -4.426090E-01     
 15      2.495703E+00           1.068750E-01     
 16      1.177866E+00           7.133290E-01     
 17      5.200440E-01           4.194430E-01     
 18      1.159650E-01           2.383100E-02     
 19      5.893800E-02          -9.883000E-03     
S   19
  1      3.321857E+06          -3.000000E-06     
  2      4.974356E+05          -1.000000E-05     
  3      1.132027E+05          -2.700000E-05     
  4      3.206333E+04          -7.200000E-05     
  5      1.045962E+04          -1.940000E-04     
  6      3.775506E+03          -5.300000E-04     
  7      1.472040E+03          -1.425000E-03     
  8      6.099331E+02          -3.589000E-03     
  9      2.652634E+02          -8.003000E-03     
 10      1.198607E+02          -1.466100E-02     
 11      5.544891E+01          -1.670400E-02     
 12      2.498372E+01           5.706000E-03     
 13      1.188056E+01           7.035600E-02     
 14      5.660311E+00           1.145620E-01     
 15      2.495703E+00          -3.595000E-02     
 16      1.177866E+00          -2.344200E-01     
 17      5.200440E-01          -2.726820E-01     
 18      1.159650E-01           2.965280E-01     
 19      5.893800E-02           5.772100E-01     
S   19
  1      3.321857E+06          -6.000000E-06     
  2      4.974356E+05          -1.800000E-05     
  3      1.132027E+05          -5.100000E-05     
  4      3.206333E+04          -1.410000E-04     
  5      1.045962E+04          -3.660000E-04     
  6      3.775506E+03          -1.061000E-03     
  7      1.472040E+03          -2.635000E-03     
  8      6.099331E+02          -7.343000E-03     
  9      2.652634E+02          -1.432700E-02     
 10      1.198607E+02          -3.164100E-02     
 11      5.544891E+01          -2.475000E-02     
 12      2.498372E+01          -8.638000E-03     
 13      1.188056E+01           1.872210E-01     
 14      5.660311E+00           1.479670E-01     
 15      2.495703E+00           9.330700E-02     
 16      1.177866E+00          -1.056754E+00     
 17      5.200440E-01           2.916520E-01     
 18      1.159650E-01           2.133999E+00     
 19      5.893800E-02          -1.354378E+00     
S   1
  1      2.694600E-02           1.0000000        
S   1
  1      1.232000E-02           1.0000000        
P   15
  1      1.327320E+04           1.080000E-04     
  2      3.142126E+03           5.390000E-04     
  3      1.020588E+03           2.582000E-03     
  4      3.904407E+02           1.039000E-02     
  5      1.655043E+02           3.518900E-02     
  6      7.532006E+01           9.758900E-02     
  7      3.605503E+01           2.102360E-01     
  8      1.780436E+01           3.306940E-01     
  9      9.002929E+00           3.306980E-01     
 10      4.594544E+00           1.567000E-01     
 11      2.276760E+00           2.185700E-02     
 12      1.101178E+00          -1.768000E-03     
 13      5.186380E-01          -1.457000E-03     
 14      2.005740E-01          -2.830000E-04     
 15      8.121700E-02           3.100000E-05     
P   15
  1      1.327320E+04          -3.700000E-05     
  2      3.142126E+03          -1.840000E-04     
  3      1.020588E+03          -8.830000E-04     
  4      3.904407E+02          -3.576000E-03     
  5      1.655043E+02          -1.226400E-02     
  6      7.532006E+01          -3.489100E-02     
  7      3.605503E+01          -7.788900E-02     
  8      1.780436E+01          -1.284150E-01     
  9      9.002929E+00          -1.338960E-01     
 10      4.594544E+00           2.315900E-02     
 11      2.276760E+00           3.220750E-01     
 12      1.101178E+00           4.598860E-01     
 13      5.186380E-01           2.931220E-01     
 14      2.005740E-01           4.844500E-02     
 15      8.121700E-02          -3.703000E-03     
P   15
  1      1.327320E+04           9.000000E-06     
  2      3.142126E+03           4.400000E-05     
  3      1.020588E+03           2.140000E-04     
  4      3.904407E+02           8.620000E-04     
  5      1.655043E+02           2.972000E-03     
  6      7.532006E+01           8.441000E-03     
  7      3.605503E+01           1.899500E-02     
  8      1.780436E+01           3.128900E-02     
  9      9.002929E+00           3.333800E-02     
 10      4.594544E+00          -1.007500E-02     
 11      2.276760E+00          -9.256200E-02     
 12      1.101178E+00          -1.488610E-01     
 13      5.186380E-01          -8.230200E-02     
 14      2.005740E-01           2.504590E-01     
 15      8.121700E-02           5.799250E-01     
P   15
  1      1.327320E+04           1.100000E-05     
  2      3.142126E+03           5.600000E-05     
  3      1.020588E+03           2.660000E-04     
  4      3.904407E+02           1.087000E-03     
  5      1.655043E+02           3.688000E-03     
  6      7.532006E+01           1.064000E-02     
  7      3.605503E+01           2.346800E-02     
  8      1.780436E+01           3.976300E-02     
  9      9.002929E+00           4.018800E-02     
 10      4.594544E+00          -8.099000E-03     
 11      2.276760E+00          -1.183280E-01     
 12      1.101178E+00          -1.730030E-01     
 13      5.186380E-01          -1.539630E-01     
 14      2.005740E-01           4.118200E-01     
 15      8.121700E-02           6.696520E-01     
P   1
  1      3.173300E-02           1.0000000        
P   1
  1      1.240000E-02           1.0000000        
D   7
  1      7.828410E+01           3.587000E-03     
  2      2.301200E+01           2.497400E-02     
  3      8.290160E+00           9.402900E-02     
  4      3.307910E+00           2.290420E-01     
  5      1.355550E+00           3.518030E-01     
  6      5.392580E-01           3.708890E-01     
  7      2.012550E-01           2.485580E-01     
D   7
  1      7.828410E+01          -3.818000E-03     
  2      2.301200E+01          -2.653100E-02     
  3      8.290160E+00          -1.030470E-01     
  4      3.307910E+00          -2.466900E-01     
  5      1.355550E+00          -3.129250E-01     
  6      5.392580E-01          -2.758100E-02     
  7      2.012550E-01           5.660110E-01     
D   1
  1      6.714600E-02           1.0000000        
D   1
  1      2.240000E-02           1.0000000        
F   2
  1      1.748800E+00           3.900680E-01     
  2      4.057000E-01           8.008410E-01     
F   1
  1      1.281300E-01           1.0000000        


name: aug-cc-pVDZ-DK
description: V5ZPD All-electron Douglas-Kroll Valence Quintuple Zeta + Polarization
elt: Cr
data:
CHROMIUM
S   19
  1      6.177194E+06           8.400000E-05     
  2      9.249295E+05           2.410000E-04     
  3      2.104865E+05           6.580000E-04     
  4      5.962005E+04           1.673000E-03     
  5      1.945076E+04           4.248000E-03     
  6      7.022056E+03           1.088900E-02     
  7      2.738763E+03           2.785900E-02     
  8      1.135814E+03           6.788800E-02     
  9      4.950923E+02           1.468020E-01     
 10      2.247487E+02           2.556230E-01     
 11      1.053836E+02           2.984080E-01     
 12      5.019359E+01           1.745600E-01     
 13      2.224957E+01           6.969000E-02     
 14      1.098265E+01           1.141840E-01     
 15      5.383665E+00           8.407000E-02     
 16      2.343685E+00           9.926000E-03     
 17      1.105202E+00          -3.160000E-04     
 18      4.878480E-01           5.900000E-05     
 19      8.959900E-02           1.600000E-05     
S   19
  1      6.177194E+06          -4.600000E-05     
  2      9.249295E+05          -1.340000E-04     
  3      2.104865E+05          -3.640000E-04     
  4      5.962005E+04          -9.270000E-04     
  5      1.945076E+04          -2.361000E-03     
  6      7.022056E+03          -6.076000E-03     
  7      2.738763E+03          -1.572300E-02     
  8      1.135814E+03          -3.907800E-02     
  9      4.950923E+02          -8.871100E-02     
 10      2.247487E+02          -1.701120E-01     
 11      1.053836E+02          -2.472980E-01     
 12      5.019359E+01          -1.863810E-01     
 13      2.224957E+01           1.584390E-01     
 14      1.098265E+01           5.481250E-01     
 15      5.383665E+00           3.885790E-01     
 16      2.343685E+00           4.928100E-02     
 17      1.105202E+00          -4.305000E-03     
 18      4.878480E-01           1.110000E-04     
 19      8.959900E-02          -2.700000E-05     
S   19
  1      6.177194E+06           1.000000E-05     
  2      9.249295E+05           2.900000E-05     
  3      2.104865E+05           7.800000E-05     
  4      5.962005E+04           2.000000E-04     
  5      1.945076E+04           5.110000E-04     
  6      7.022056E+03           1.317000E-03     
  7      2.738763E+03           3.447000E-03     
  8      1.135814E+03           8.668000E-03     
  9      4.950923E+02           2.049500E-02     
 10      2.247487E+02           4.170100E-02     
 11      1.053836E+02           6.930000E-02     
 12      5.019359E+01           5.818900E-02     
 13      2.224957E+01          -7.618100E-02     
 14      1.098265E+01          -3.561380E-01     
 15      5.383665E+00          -3.726510E-01     
 16      2.343685E+00           2.838030E-01     
 17      1.105202E+00           7.149340E-01     
 18      4.878480E-01           2.908760E-01     
 19      8.959900E-02           6.909000E-03     
S   19
  1      6.177194E+06          -2.000000E-06     
  2      9.249295E+05          -7.000000E-06     
  3      2.104865E+05          -1.800000E-05     
  4      5.962005E+04          -4.500000E-05     
  5      1.945076E+04          -1.170000E-04     
  6      7.022056E+03          -2.980000E-04     
  7      2.738763E+03          -7.900000E-04     
  8      1.135814E+03          -1.957000E-03     
  9      4.950923E+02          -4.725000E-03     
 10      2.247487E+02          -9.368000E-03     
 11      1.053836E+02          -1.625000E-02     
 12      5.019359E+01          -1.254900E-02     
 13      2.224957E+01           1.555000E-02     
 14      1.098265E+01           9.169100E-02     
 15      5.383665E+00           8.542600E-02     
 16      2.343685E+00          -6.625000E-02     
 17      1.105202E+00          -2.868520E-01     
 18      4.878480E-01          -1.703030E-01     
 19      8.959900E-02           6.967260E-01     
S   19
  1      6.177194E+06           4.000000E-06     
  2      9.249295E+05           1.300000E-05     
  3      2.104865E+05           3.600000E-05     
  4      5.962005E+04           8.800000E-05     
  5      1.945076E+04           2.390000E-04     
  6      7.022056E+03           5.570000E-04     
  7      2.738763E+03           1.682000E-03     
  8      1.135814E+03           3.490000E-03     
  9      4.950923E+02           1.051200E-02     
 10      2.247487E+02           1.539200E-02     
 11      1.053836E+02           4.027700E-02     
 12      5.019359E+01           7.394000E-03     
 13      2.224957E+01           1.405700E-02     
 14      1.098265E+01          -2.936730E-01     
 15      5.383665E+00           3.010000E-03     
 16      2.343685E+00          -1.758500E-01     
 17      1.105202E+00           1.500646E+00     
 18      4.878480E-01          -1.126940E+00     
 19      8.959900E-02          -1.227088E+00     
S   1
  1      3.342300E-02           1.0000000        
S   1
  1      1.247000E-02           1.0000000        
P   15
  1      1.445420E+04           1.150000E-04     
  2      3.421676E+03           5.600000E-04     
  3      1.111387E+03           2.653000E-03     
  4      4.251918E+02           1.061200E-02     
  5      1.802623E+02           3.586700E-02     
  6      8.206117E+01           9.932400E-02     
  7      3.929726E+01           2.135250E-01     
  8      1.941959E+01           3.339970E-01     
  9      9.828899E+00           3.282920E-01     
 10      5.016810E+00           1.505820E-01     
 11      2.487091E+00           2.000200E-02     
 12      1.198780E+00          -1.563000E-03     
 13      5.586950E-01          -1.291000E-03     
 14      2.093660E-01          -2.120000E-04     
 15      8.472200E-02           2.400000E-05     
P   15
  1      1.445420E+04          -4.000000E-05     
  2      3.421676E+03          -1.940000E-04     
  3      1.111387E+03          -9.220000E-04     
  4      4.251918E+02          -3.711000E-03     
  5      1.802623E+02          -1.270600E-02     
  6      8.206117E+01          -3.612100E-02     
  7      3.929726E+01          -8.054000E-02     
  8      1.941959E+01          -1.323120E-01     
  9      9.828899E+00          -1.340350E-01     
 10      5.016810E+00           3.470700E-02     
 11      2.487091E+00           3.356300E-01     
 12      1.198780E+00           4.612780E-01     
 13      5.586950E-01           2.785730E-01     
 14      2.093660E-01           4.122100E-02     
 15      8.472200E-02          -3.800000E-03     
P   15
  1      1.445420E+04           9.000000E-06     
  2      3.421676E+03           4.600000E-05     
  3      1.111387E+03           2.190000E-04     
  4      4.251918E+02           8.780000E-04     
  5      1.802623E+02           3.030000E-03     
  6      8.206117E+01           8.568000E-03     
  7      3.929726E+01           1.934300E-02     
  8      1.941959E+01           3.156000E-02     
  9      9.828899E+00           3.305600E-02     
 10      5.016810E+00          -1.359000E-02     
 11      2.487091E+00          -9.400900E-02     
 12      1.198780E+00          -1.498470E-01     
 13      5.586950E-01          -6.571600E-02     
 14      2.093660E-01           2.711740E-01     
 15      8.472200E-02           5.750590E-01     
P   15
  1      1.445420E+04           1.200000E-05     
  2      3.421676E+03           5.900000E-05     
  3      1.111387E+03           2.770000E-04     
  4      4.251918E+02           1.121000E-03     
  5      1.802623E+02           3.820000E-03     
  6      8.206117E+01           1.094000E-02     
  7      3.929726E+01           2.430100E-02     
  8      1.941959E+01           4.059400E-02     
  9      9.828899E+00           4.077300E-02     
 10      5.016810E+00          -1.344000E-02     
 11      2.487091E+00          -1.211060E-01     
 12      1.198780E+00          -1.827370E-01     
 13      5.586950E-01          -1.200720E-01     
 14      2.093660E-01           4.449520E-01     
 15      8.472200E-02           6.413430E-01     
P   1
  1      3.327800E-02           1.0000000        
P   1
  1      1.307000E-02           1.0000000        
D   7
  1      8.947450E+01           3.617000E-03     
  2      2.633680E+01           2.553900E-02     
  3      9.534290E+00           9.683400E-02     
  4      3.821180E+00           2.351220E-01     
  5      1.571690E+00           3.574460E-01     
  6      6.264220E-01           3.691600E-01     
  7      2.330550E-01           2.380780E-01     
D   7
  1      8.947450E+01          -4.124000E-03     
  2      2.633680E+01          -2.909800E-02     
  3      9.534290E+00          -1.143160E-01     
  4      3.821180E+00          -2.719580E-01     
  5      1.571690E+00          -3.162730E-01     
  6      6.264220E-01           3.745700E-02     
  7      2.330550E-01           5.894820E-01     
D   1
  1      7.630300E-02           1.0000000        
D   1
  1      2.498000E-02           1.0000000        
F   2
  1      2.221100E+00           4.235450E-01     
  2      5.231000E-01           7.741140E-01     
F   1
  1      1.724900E-01           1.0000000        


name: aug-cc-pVDZ-DK
description: V5ZPD All-electron Douglas-Kroll Valence Quintuple Zeta + Polarization
elt: Mn
data:
MANGANESE
S   19
  1      3.960805E+06           1.350000E-04     
  2      5.931155E+05           3.950000E-04     
  3      1.349768E+05           1.096000E-03     
  4      3.823067E+04           2.871000E-03     
  5      1.247154E+04           7.554000E-03     
  6      4.501743E+03           1.997500E-02     
  7      1.755212E+03           5.150800E-02     
  8      7.273039E+02           1.210030E-01     
  9      3.163678E+02           2.360360E-01     
 10      1.430098E+02           3.264820E-01     
 11      6.621805E+01           2.393020E-01     
 12      2.991896E+01           7.182000E-02     
 13      1.430318E+01           7.595000E-02     
 14      6.839451E+00           7.503000E-02     
 15      3.012374E+00           1.183600E-02     
 16      1.418808E+00          -3.590000E-04     
 17      6.236240E-01          -6.200000E-05     
 18      1.340980E-01          -1.400000E-05     
 19      6.554800E-02           2.600000E-05     
S   19
  1      3.960805E+06          -6.500000E-05     
  2      5.931155E+05          -1.890000E-04     
  3      1.349768E+05          -5.250000E-04     
  4      3.823067E+04          -1.379000E-03     
  5      1.247154E+04          -3.642000E-03     
  6      4.501743E+03          -9.711000E-03     
  7      1.755212E+03          -2.548900E-02     
  8      7.273039E+02          -6.225900E-02     
  9      3.163678E+02          -1.322860E-01     
 10      1.430098E+02          -2.204590E-01     
 11      6.621805E+01          -2.215130E-01     
 12      2.991896E+01           4.933600E-02     
 13      1.430318E+01           5.165030E-01     
 14      6.839451E+00           4.900740E-01     
 15      3.012374E+00           8.458600E-02     
 16      1.418808E+00          -6.857000E-03     
 17      6.236240E-01          -4.660000E-04     
 18      1.340980E-01          -5.260000E-04     
 19      6.554800E-02           4.990000E-04     
S   19
  1      3.960805E+06           1.600000E-05     
  2      5.931155E+05           4.600000E-05     
  3      1.349768E+05           1.280000E-04     
  4      3.823067E+04           3.370000E-04     
  5      1.247154E+04           8.910000E-04     
  6      4.501743E+03           2.391000E-03     
  7      1.755212E+03           6.334000E-03     
  8      7.273039E+02           1.586600E-02     
  9      3.163678E+02           3.523600E-02     
 10      1.430098E+02           6.454500E-02     
 11      6.621805E+01           7.305700E-02     
 12      2.991896E+01          -2.573700E-02     
 13      1.430318E+01          -3.026850E-01     
 14      6.839451E+00          -4.440650E-01     
 15      3.012374E+00           1.409020E-01     
 16      1.418808E+00           7.189900E-01     
 17      6.236240E-01           3.952070E-01     
 18      1.340980E-01           1.985100E-02     
 19      6.554800E-02          -7.783000E-03     
S   19
  1      3.960805E+06          -4.000000E-06     
  2      5.931155E+05          -1.000000E-05     
  3      1.349768E+05          -2.900000E-05     
  4      3.823067E+04          -7.500000E-05     
  5      1.247154E+04          -1.990000E-04     
  6      4.501743E+03          -5.330000E-04     
  7      1.755212E+03          -1.413000E-03     
  8      7.273039E+02          -3.542000E-03     
  9      3.163678E+02          -7.871000E-03     
 10      1.430098E+02          -1.446600E-02     
 11      6.621805E+01          -1.642500E-02     
 12      2.991896E+01           5.762000E-03     
 13      1.430318E+01           7.126600E-02     
 14      6.839451E+00           1.094140E-01     
 15      3.012374E+00          -4.281300E-02     
 16      1.418808E+00          -2.293830E-01     
 17      6.236240E-01          -2.461200E-01     
 18      1.340980E-01           3.096530E-01     
 19      6.554800E-02           5.658570E-01     
S   19
  1      3.960805E+06          -7.000000E-06     
  2      5.931155E+05          -2.100000E-05     
  3      1.349768E+05          -5.700000E-05     
  4      3.823067E+04          -1.530000E-04     
  5      1.247154E+04          -3.900000E-04     
  6      4.501743E+03          -1.107000E-03     
  7      1.755212E+03          -2.716000E-03     
  8      7.273039E+02          -7.526000E-03     
  9      3.163678E+02          -1.464300E-02     
 10      1.430098E+02          -3.243400E-02     
 11      6.621805E+01          -2.523900E-02     
 12      2.991896E+01          -8.668000E-03     
 13      1.430318E+01           1.951750E-01     
 14      6.839451E+00           1.474640E-01     
 15      3.012374E+00           7.037500E-02     
 16      1.418808E+00          -1.066777E+00     
 17      6.236240E-01           3.723110E-01     
 18      1.340980E-01           1.987207E+00     
 19      6.554800E-02          -1.289393E+00     
S   1
  1      2.958400E-02           1.0000000        
S   1
  1      1.335000E-02           1.0000000        
P   15
  1      1.620586E+04           1.180000E-04     
  2      3.836274E+03           5.550000E-04     
  3      1.246048E+03           2.591000E-03     
  4      4.767535E+02           1.029700E-02     
  5      2.021895E+02           3.481200E-02     
  6      9.209487E+01           9.681400E-02     
  7      4.414720E+01           2.099030E-01     
  8      2.185468E+01           3.319070E-01     
  9      1.108596E+01           3.311790E-01     
 10      5.674108E+00           1.557000E-01     
 11      2.823170E+00           2.090600E-02     
 12      1.368621E+00          -2.814000E-03     
 13      6.444310E-01          -2.148000E-03     
 14      2.483460E-01          -3.790000E-04     
 15      9.717500E-02           3.600000E-05     
P   15
  1      1.620586E+04          -4.100000E-05     
  2      3.836274E+03          -1.930000E-04     
  3      1.246048E+03          -9.030000E-04     
  4      4.767535E+02          -3.614000E-03     
  5      2.021895E+02          -1.237300E-02     
  6      9.209487E+01          -3.534100E-02     
  7      4.414720E+01          -7.949900E-02     
  8      2.185468E+01          -1.321930E-01     
  9      1.108596E+01          -1.356890E-01     
 10      5.674108E+00           3.013300E-02     
 11      2.823170E+00           3.310290E-01     
 12      1.368621E+00           4.567780E-01     
 13      6.444310E-01           2.859100E-01     
 14      2.483460E-01           4.658300E-02     
 15      9.717500E-02          -3.384000E-03     
P   15
  1      1.620586E+04          -9.000000E-06     
  2      3.836274E+03          -4.400000E-05     
  3      1.246048E+03          -2.080000E-04     
  4      4.767535E+02          -8.320000E-04     
  5      2.021895E+02          -2.857000E-03     
  6      9.209487E+01          -8.164000E-03     
  7      4.414720E+01          -1.845500E-02     
  8      2.185468E+01          -3.077300E-02     
  9      1.108596E+01          -3.199900E-02     
 10      5.674108E+00           1.075100E-02     
 11      2.823170E+00           9.089400E-02     
 12      1.368621E+00           1.379450E-01     
 13      6.444310E-01           7.611200E-02     
 14      2.483460E-01          -2.313460E-01     
 15      9.717500E-02          -5.751700E-01     
P   15
  1      1.620586E+04           1.300000E-05     
  2      3.836274E+03           6.000000E-05     
  3      1.246048E+03           2.790000E-04     
  4      4.767535E+02           1.127000E-03     
  5      2.021895E+02           3.818000E-03     
  6      9.209487E+01           1.106100E-02     
  7      4.414720E+01           2.458500E-02     
  8      2.185468E+01           4.203300E-02     
  9      1.108596E+01           4.181100E-02     
 10      5.674108E+00          -1.084700E-02     
 11      2.823170E+00          -1.265590E-01     
 12      1.368621E+00          -1.789830E-01     
 13      6.444310E-01          -1.260670E-01     
 14      2.483460E-01           4.203830E-01     
 15      9.717500E-02           6.578380E-01     
P   1
  1      3.656500E-02           1.0000000        
P   1
  1      1.376000E-02           1.0000000        
D   7
  1      1.019040E+02           3.575000E-03     
  2      3.003370E+01           2.557500E-02     
  3      1.092380E+01           9.774700E-02     
  4      4.397400E+00           2.370560E-01     
  5      1.815950E+00           3.579230E-01     
  6      7.257310E-01           3.658070E-01     
  7      2.699610E-01           2.362960E-01     
D   7
  1      1.019040E+02          -3.646000E-03     
  2      3.003370E+01          -2.607900E-02     
  3      1.092380E+01          -1.024550E-01     
  4      4.397400E+00          -2.488950E-01     
  5      1.815950E+00          -3.018870E-01     
  6      7.257310E-01           8.369000E-03     
  7      2.699610E-01           5.397650E-01     
D   1
  1      8.776000E-02           1.0000000        
D   1
  1      2.853000E-02           1.0000000        
F   2
  1      2.703200E+00           4.267760E-01     
  2      6.438000E-01           7.697990E-01     
F   1
  1      2.176400E-01           1.0000000        


name: aug-cc-pVDZ-DK
description: V5ZPD All-electron Douglas-Kroll Valence Quintuple Zeta + Polarization
elt: Fe
data:
IRON
S   19
  1      4.316265E+06           1.400000E-04     
  2      6.463424E+05           4.050000E-04     
  3      1.470897E+05           1.119000E-03     
  4      4.166152E+04           2.907000E-03     
  5      1.359077E+04           7.571000E-03     
  6      4.905750E+03           1.981800E-02     
  7      1.912746E+03           5.073400E-02     
  8      7.926043E+02           1.187290E-01     
  9      3.448065E+02           2.311640E-01     
 10      1.558999E+02           3.193220E-01     
 11      7.223091E+01           2.336480E-01     
 12      3.272506E+01           7.402200E-02     
 13      1.566762E+01           9.095200E-02     
 14      7.503483E+00           8.889800E-02     
 15      3.312223E+00           1.430200E-02     
 16      1.558471E+00          -3.870000E-04     
 17      6.839140E-01           8.000000E-06     
 18      1.467570E-01          -2.500000E-05     
 19      7.058300E-02           3.200000E-05     
S   19
  1      4.316265E+06          -7.200000E-05     
  2      6.463424E+05          -2.090000E-04     
  3      1.470897E+05          -5.790000E-04     
  4      4.166152E+04          -1.506000E-03     
  5      1.359077E+04          -3.939000E-03     
  6      4.905750E+03          -1.039600E-02     
  7      1.912746E+03          -2.707400E-02     
  8      7.926043E+02          -6.577700E-02     
  9      3.448065E+02          -1.390820E-01     
 10      1.558999E+02          -2.301500E-01     
 11      7.223091E+01          -2.296630E-01     
 12      3.272506E+01           4.609100E-02     
 13      1.566762E+01           5.150510E-01     
 14      7.503483E+00           4.871750E-01     
 15      3.312223E+00           8.438000E-02     
 16      1.558471E+00          -5.911000E-03     
 17      6.839140E-01          -4.400000E-05     
 18      1.467570E-01          -4.870000E-04     
 19      7.058300E-02           4.370000E-04     
S   19
  1      4.316265E+06           1.700000E-05     
  2      6.463424E+05           4.900000E-05     
  3      1.470897E+05           1.350000E-04     
  4      4.166152E+04           3.520000E-04     
  5      1.359077E+04           9.230000E-04     
  6      4.905750E+03           2.452000E-03     
  7      1.912746E+03           6.451000E-03     
  8      7.926043E+02           1.610600E-02     
  9      3.448065E+02           3.574200E-02     
 10      1.558999E+02           6.552800E-02     
 11      7.223091E+01           7.443000E-02     
 12      3.272506E+01          -2.571100E-02     
 13      1.566762E+01          -3.086450E-01     
 14      7.503483E+00          -4.465440E-01     
 15      3.312223E+00           1.489850E-01     
 16      1.558471E+00           7.203950E-01     
 17      6.839140E-01           3.896980E-01     
 18      1.467570E-01           1.918400E-02     
 19      7.058300E-02          -7.023000E-03     
S   19
  1      4.316265E+06          -4.000000E-06     
  2      6.463424E+05          -1.100000E-05     
  3      1.470897E+05          -2.900000E-05     
  4      4.166152E+04          -7.700000E-05     
  5      1.359077E+04          -2.010000E-04     
  6      4.905750E+03          -5.350000E-04     
  7      1.912746E+03          -1.408000E-03     
  8      7.926043E+02          -3.518000E-03     
  9      3.448065E+02          -7.814000E-03     
 10      1.558999E+02          -1.437200E-02     
 11      7.223091E+01          -1.638300E-02     
 12      3.272506E+01           5.643000E-03     
 13      1.566762E+01           7.122100E-02     
 14      7.503483E+00           1.078000E-01     
 15      3.312223E+00          -4.426200E-02     
 16      1.558471E+00          -2.259990E-01     
 17      6.839140E-01          -2.376280E-01     
 18      1.467570E-01           2.977800E-01     
 19      7.058300E-02           5.654970E-01     
S   19
  1      4.316265E+06          -7.000000E-06     
  2      6.463424E+05          -2.100000E-05     
  3      1.470897E+05          -5.800000E-05     
  4      4.166152E+04          -1.550000E-04     
  5      1.359077E+04          -3.930000E-04     
  6      4.905750E+03          -1.101000E-03     
  7      1.912746E+03          -2.693000E-03     
  8      7.926043E+02          -7.404000E-03     
  9      3.448065E+02          -1.448400E-02     
 10      1.558999E+02          -3.185300E-02     
 11      7.223091E+01          -2.535200E-02     
 12      3.272506E+01          -7.887000E-03     
 13      1.566762E+01           1.914700E-01     
 14      7.503483E+00           1.482420E-01     
 15      3.312223E+00           5.076100E-02     
 16      1.558471E+00          -1.012246E+00     
 17      6.839140E-01           3.423390E-01     
 18      1.467570E-01           1.857266E+00     
 19      7.058300E-02          -1.063679E+00     
S   1
  1      3.144900E-02           1.0000000        
S   1
  1      1.401000E-02           1.0000000        
P   15
  1      1.774569E+04           1.230000E-04     
  2      4.200721E+03           5.660000E-04     
  3      1.364429E+03           2.608000E-03     
  4      5.220806E+02           1.029500E-02     
  5      2.214595E+02           3.475100E-02     
  6      1.009096E+02           9.669000E-02     
  7      4.840115E+01           2.100300E-01     
  8      2.398536E+01           3.324570E-01     
  9      1.218250E+01           3.307710E-01     
 10      6.242298E+00           1.547330E-01     
 11      3.110944E+00           2.096400E-02     
 12      1.509958E+00          -2.346000E-03     
 13      7.108450E-01          -1.854000E-03     
 14      2.725980E-01          -3.170000E-04     
 15      1.039720E-01           3.000000E-05     
P   15
  1      1.774569E+04          -4.300000E-05     
  2      4.200721E+03          -2.000000E-04     
  3      1.364429E+03          -9.230000E-04     
  4      5.220806E+02          -3.668000E-03     
  5      2.214595E+02          -1.253900E-02     
  6      1.009096E+02          -3.584800E-02     
  7      4.840115E+01          -8.082200E-02     
  8      2.398536E+01          -1.346970E-01     
  9      1.218250E+01          -1.369120E-01     
 10      6.242298E+00           3.371300E-02     
 11      3.110944E+00           3.356700E-01     
 12      1.509958E+00           4.554960E-01     
 13      7.108450E-01           2.817600E-01     
 14      2.725980E-01           4.515000E-02     
 15      1.039720E-01          -3.165000E-03     
P   15
  1      1.774569E+04           9.000000E-06     
  2      4.200721E+03           4.400000E-05     
  3      1.364429E+03           2.010000E-04     
  4      5.220806E+02           8.000000E-04     
  5      2.214595E+02           2.738000E-03     
  6      1.009096E+02           7.848000E-03     
  7      4.840115E+01           1.773900E-02     
  8      2.398536E+01           2.974900E-02     
  9      1.218250E+01           3.038900E-02     
 10      6.242298E+00          -1.076500E-02     
 11      3.110944E+00          -8.768900E-02     
 12      1.509958E+00          -1.284700E-01     
 13      7.108450E-01          -7.399600E-02     
 14      2.725980E-01           2.154550E-01     
 15      1.039720E-01           5.720050E-01     
P   15
  1      1.774569E+04           1.400000E-05     
  2      4.200721E+03           6.600000E-05     
  3      1.364429E+03           3.030000E-04     
  4      5.220806E+02           1.219000E-03     
  5      2.214595E+02           4.120000E-03     
  6      1.009096E+02           1.195300E-02     
  7      4.840115E+01           2.662000E-02     
  8      2.398536E+01           4.569900E-02     
  9      1.218250E+01           4.503300E-02     
 10      6.242298E+00          -1.301100E-02     
 11      3.110944E+00          -1.413750E-01     
 12      1.509958E+00          -1.941480E-01     
 13      7.108450E-01          -1.017700E-01     
 14      2.725980E-01           4.678640E-01     
 15      1.039720E-01           6.242180E-01     
P   1
  1      3.816600E-02           1.0000000        
P   1
  1      1.401000E-02           1.0000000        
D   7
  1      1.148840E+02           3.532000E-03     
  2      3.388780E+01           2.555000E-02     
  3      1.237300E+01           9.835700E-02     
  4      4.999250E+00           2.379190E-01     
  5      2.070430E+00           3.565390E-01     
  6      8.281830E-01           3.628480E-01     
  7      3.075470E-01           2.388030E-01     
D   7
  1      1.148840E+02          -3.896000E-03     
  2      3.388780E+01          -2.820700E-02     
  3      1.237300E+01          -1.115730E-01     
  4      4.999250E+00          -2.728390E-01     
  5      2.070430E+00          -3.171520E-01     
  6      8.281830E-01           5.206200E-02     
  7      3.075470E-01           5.612690E-01     
D   1
  1      9.945500E-02           1.0000000        
D   1
  1      3.216000E-02           1.0000000        
F   2
  1      3.224300E+00           4.222490E-01     
  2      7.758000E-01           7.714680E-01     
F   1
  1      2.672300E-01           1.0000000        


name: aug-cc-pVDZ-DK
description: V5ZPD All-electron Douglas-Kroll Valence Quintuple Zeta + Polarization
elt: Co
data:
COBALT
S   19
  1      4.675675E+06           1.460000E-04     
  2      7.001615E+05           4.220000E-04     
  3      1.593373E+05           1.157000E-03     
  4      4.513046E+04           2.982000E-03     
  5      1.472238E+04           7.695000E-03     
  6      5.314222E+03           1.995300E-02     
  7      2.072018E+03           5.071700E-02     
  8      8.586188E+02           1.182300E-01     
  9      3.735497E+02           2.298040E-01     
 10      1.689229E+02           3.172830E-01     
 11      7.829639E+01           2.323250E-01     
 12      3.552123E+01           7.486300E-02     
 13      1.704144E+01           9.464900E-02     
 14      8.173000E+00           9.162500E-02     
 15      3.610318E+00           1.466000E-02     
 16      1.697047E+00          -4.140000E-04     
 17      7.435320E-01           5.000000E-06     
 18      1.583440E-01          -2.800000E-05     
 19      7.503600E-02           2.900000E-05     
S   19
  1      4.675675E+06          -7.700000E-05     
  2      7.001615E+05          -2.220000E-04     
  3      1.593373E+05          -6.100000E-04     
  4      4.513046E+04          -1.576000E-03     
  5      1.472238E+04          -4.085000E-03     
  6      5.314222E+03          -1.067800E-02     
  7      2.072018E+03          -2.761300E-02     
  8      8.586188E+02          -6.681600E-02     
  9      3.735497E+02          -1.409790E-01     
 10      1.689229E+02          -2.329210E-01     
 11      7.829639E+01          -2.320460E-01     
 12      3.552123E+01           4.655300E-02     
 13      1.704144E+01           5.169650E-01     
 14      8.173000E+00           4.848400E-01     
 15      3.610318E+00           8.328900E-02     
 16      1.697047E+00          -5.811000E-03     
 17      7.435320E-01          -5.400000E-05     
 18      1.583440E-01          -4.680000E-04     
 19      7.503600E-02           3.890000E-04     
S   19
  1      4.675675E+06           1.800000E-05     
  2      7.001615E+05           5.200000E-05     
  3      1.593373E+05           1.420000E-04     
  4      4.513046E+04           3.670000E-04     
  5      1.472238E+04           9.540000E-04     
  6      5.314222E+03           2.512000E-03     
  7      2.072018E+03           6.564000E-03     
  8      8.586188E+02           1.633100E-02     
  9      3.735497E+02           3.618600E-02     
 10      1.689229E+02           6.635200E-02     
 11      7.829639E+01           7.534300E-02     
 12      3.552123E+01          -2.648700E-02     
 13      1.704144E+01          -3.148050E-01     
 14      8.173000E+00          -4.467120E-01     
 15      3.610318E+00           1.601200E-01     
 16      1.697047E+00           7.213240E-01     
 17      7.435320E-01           3.823570E-01     
 18      1.583440E-01           1.818800E-02     
 19      7.503600E-02          -6.415000E-03     
S   19
  1      4.675675E+06          -4.000000E-06     
  2      7.001615E+05          -1.100000E-05     
  3      1.593373E+05          -3.000000E-05     
  4      4.513046E+04          -7.800000E-05     
  5      1.472238E+04          -2.040000E-04     
  6      5.314222E+03          -5.360000E-04     
  7      2.072018E+03          -1.402000E-03     
  8      8.586188E+02          -3.490000E-03     
  9      3.735497E+02          -7.740000E-03     
 10      1.689229E+02          -1.424000E-02     
 11      7.829639E+01          -1.622700E-02     
 12      3.552123E+01           5.692000E-03     
 13      1.704144E+01           7.113600E-02     
 14      8.173000E+00           1.054210E-01     
 15      3.610318E+00          -4.618700E-02     
 16      1.697047E+00          -2.220020E-01     
 17      7.435320E-01          -2.286240E-01     
 18      1.583440E-01           2.913320E-01     
 19      7.503600E-02           5.630580E-01     
S   19
  1      4.675675E+06          -7.000000E-06     
  2      7.001615E+05          -2.200000E-05     
  3      1.593373E+05          -5.900000E-05     
  4      4.513046E+04          -1.550000E-04     
  5      1.472238E+04          -3.910000E-04     
  6      5.314222E+03          -1.081000E-03     
  7      2.072018E+03          -2.638000E-03     
  8      8.586188E+02          -7.186000E-03     
  9      3.735497E+02          -1.414100E-02     
 10      1.689229E+02          -3.080100E-02     
 11      7.829639E+01          -2.503000E-02     
 12      3.552123E+01          -6.499000E-03     
 13      1.704144E+01           1.848310E-01     
 14      8.173000E+00           1.464850E-01     
 15      3.610318E+00           3.025500E-02     
 16      1.697047E+00          -9.422380E-01     
 17      7.435320E-01           3.006350E-01     
 18      1.583440E-01           1.741418E+00     
 19      7.503600E-02          -8.549780E-01     
S   1
  1      3.309100E-02           1.0000000        
S   1
  1      1.459000E-02           1.0000000        
P   15
  1      1.926778E+04           1.300000E-04     
  2      4.560986E+03           5.820000E-04     
  3      1.481436E+03           2.648000E-03     
  4      5.668671E+02           1.038100E-02     
  5      2.404910E+02           3.496300E-02     
  6      1.096105E+02           9.722900E-02     
  7      5.259491E+01           2.112480E-01     
  8      2.608361E+01           3.338520E-01     
  9      1.326143E+01           3.297510E-01     
 10      6.799778E+00           1.522940E-01     
 11      3.393414E+00           2.026500E-02     
 12      1.648766E+00          -2.285000E-03     
 13      7.762820E-01          -1.811000E-03     
 14      2.972090E-01          -2.960000E-04     
 15      1.133520E-01           2.800000E-05     
P   15
  1      1.926778E+04          -4.600000E-05     
  2      4.560986E+03          -2.080000E-04     
  3      1.481436E+03          -9.470000E-04     
  4      5.668671E+02          -3.738000E-03     
  5      2.404910E+02          -1.275000E-02     
  6      1.096105E+02          -3.644700E-02     
  7      5.259491E+01          -8.223500E-02     
  8      2.608361E+01          -1.369990E-01     
  9      1.326143E+01          -1.371210E-01     
 10      6.799778E+00           3.932100E-02     
 11      3.393414E+00           3.412260E-01     
 12      1.648766E+00           4.536340E-01     
 13      7.762820E-01           2.761140E-01     
 14      2.972090E-01           4.366500E-02     
 15      1.133520E-01          -3.070000E-03     
P   15
  1      1.926778E+04          -1.000000E-05     
  2      4.560986E+03          -4.600000E-05     
  3      1.481436E+03          -2.090000E-04     
  4      5.668671E+02          -8.250000E-04     
  5      2.404910E+02          -2.817000E-03     
  6      1.096105E+02          -8.068000E-03     
  7      5.259491E+01          -1.826800E-02     
  8      2.608361E+01          -3.058600E-02     
  9      1.326143E+01          -3.088300E-02     
 10      6.799778E+00           1.230300E-02     
 11      3.393414E+00           9.043100E-02     
 12      1.648766E+00           1.308200E-01     
 13      7.762820E-01           6.921100E-02     
 14      2.972090E-01          -2.248820E-01     
 15      1.133520E-01          -5.696560E-01     
P   15
  1      1.926778E+04           1.600000E-05     
  2      4.560986E+03           7.200000E-05     
  3      1.481436E+03           3.260000E-04     
  4      5.668671E+02           1.298000E-03     
  5      2.404910E+02           4.392000E-03     
  6      1.096105E+02           1.270000E-02     
  7      5.259491E+01           2.842400E-02     
  8      2.608361E+01           4.853300E-02     
  9      1.326143E+01           4.775200E-02     
 10      6.799778E+00          -1.665200E-02     
 11      3.393414E+00          -1.536670E-01     
 12      1.648766E+00          -2.056630E-01     
 13      7.762820E-01          -7.218000E-02     
 14      2.972090E-01           4.831410E-01     
 15      1.133520E-01           5.994720E-01     
P   1
  1      4.151000E-02           1.0000000        
P   1
  1      1.520000E-02           1.0000000        
D   7
  1      1.283920E+02           3.505000E-03     
  2      3.789380E+01           2.558300E-02     
  3      1.387980E+01           9.908400E-02     
  4      5.625440E+00           2.391390E-01     
  5      2.335390E+00           3.561510E-01     
  6      9.351920E-01           3.604140E-01     
  7      3.469530E-01           2.392120E-01     
D   7
  1      1.283920E+02          -4.065000E-03     
  2      3.789380E+01          -2.972900E-02     
  3      1.387980E+01          -1.184660E-01     
  4      5.625440E+00          -2.897200E-01     
  5      2.335390E+00          -3.203480E-01     
  6      9.351920E-01           8.568000E-02     
  7      3.469530E-01           5.591230E-01     
D   1
  1      1.117230E-01           1.0000000        
D   1
  1      3.598000E-02           1.0000000        
F   2
  1      3.772400E+00           4.239660E-01     
  2      9.170000E-01           7.684290E-01     
F   1
  1      3.204100E-01           1.0000000        


name: aug-cc-pVDZ-DK
description: V5ZPD All-electron Douglas-Kroll Valence Quintuple Zeta + Polarization
elt: Ni
data:
NICKEL
S   19
  1      5.045991E+06           1.570000E-04     
  2      7.556142E+05           4.530000E-04     
  3      1.719568E+05           1.237000E-03     
  4      4.870479E+04           3.165000E-03     
  5      1.588841E+04           8.095000E-03     
  6      5.735123E+03           2.080400E-02     
  7      2.236137E+03           5.253400E-02     
  8      9.266468E+02           1.221290E-01     
  9      4.031743E+02           2.376390E-01     
 10      1.823476E+02           3.303120E-01     
 11      8.454885E+01           2.459140E-01     
 12      3.839634E+01           7.227600E-02     
 13      1.845859E+01           6.351200E-02     
 14      8.863548E+00           6.188400E-02     
 15      3.916227E+00           9.400000E-03     
 16      1.838870E+00          -2.190000E-04     
 17      8.043620E-01          -7.900000E-05     
 18      1.697970E-01          -5.000000E-06     
 19      7.930600E-02           3.000000E-06     
S   19
  1      5.045991E+06          -7.100000E-05     
  2      7.556142E+05          -2.060000E-04     
  3      1.719568E+05          -5.620000E-04     
  4      4.870479E+04          -1.442000E-03     
  5      1.588841E+04          -3.706000E-03     
  6      5.735123E+03          -9.611000E-03     
  7      2.236137E+03          -2.473600E-02     
  8      9.266468E+02          -5.990300E-02     
  9      4.031743E+02          -1.273860E-01     
 10      1.823476E+02          -2.141810E-01     
 11      8.454885E+01          -2.183240E-01     
 12      3.839634E+01           5.259800E-02     
 13      1.845859E+01           5.249320E-01     
 14      8.863548E+00           4.880070E-01     
 15      3.916227E+00           8.248400E-02     
 16      1.838870E+00          -6.795000E-03     
 17      8.043620E-01          -6.430000E-04     
 18      1.697970E-01          -4.920000E-04     
 19      7.930600E-02           3.540000E-04     
S   19
  1      5.045991E+06           1.900000E-05     
  2      7.556142E+05           5.400000E-05     
  3      1.719568E+05           1.480000E-04     
  4      4.870479E+04           3.810000E-04     
  5      1.588841E+04           9.810000E-04     
  6      5.735123E+03           2.559000E-03     
  7      2.236137E+03           6.641000E-03     
  8      9.266468E+02           1.646000E-02     
  9      4.031743E+02           3.641900E-02     
 10      1.823476E+02           6.673200E-02     
 11      8.454885E+01           7.573900E-02     
 12      3.839634E+01          -2.751000E-02     
 13      1.845859E+01          -3.190460E-01     
 14      8.863548E+00          -4.449190E-01     
 15      3.916227E+00           1.724220E-01     
 16      1.838870E+00           7.155720E-01     
 17      8.043620E-01           3.791720E-01     
 18      1.697970E-01           1.993600E-02     
 19      7.930600E-02          -7.476000E-03     
S   19
  1      5.045991E+06          -4.000000E-06     
  2      7.556142E+05          -1.100000E-05     
  3      1.719568E+05          -3.100000E-05     
  4      4.870479E+04          -8.100000E-05     
  5      1.588841E+04          -2.080000E-04     
  6      5.735123E+03          -5.430000E-04     
  7      2.236137E+03          -1.408000E-03     
  8      9.266468E+02          -3.493000E-03     
  9      4.031743E+02          -7.733000E-03     
 10      1.823476E+02          -1.422300E-02     
 11      8.454885E+01          -1.618100E-02     
 12      3.839634E+01           5.841000E-03     
 13      1.845859E+01           7.157900E-02     
 14      8.863548E+00           1.037370E-01     
 15      3.916227E+00          -4.831500E-02     
 16      1.838870E+00          -2.193040E-01     
 17      8.043620E-01          -2.208170E-01     
 18      1.697970E-01           2.869700E-01     
 19      7.930600E-02           5.599800E-01     
S   19
  1      5.045991E+06          -8.000000E-06     
  2      7.556142E+05          -2.300000E-05     
  3      1.719568E+05          -6.200000E-05     
  4      4.870479E+04          -1.630000E-04     
  5      1.588841E+04          -4.080000E-04     
  6      5.735123E+03          -1.112000E-03     
  7      2.236137E+03          -2.709000E-03     
  8      9.266468E+02          -7.309000E-03     
  9      4.031743E+02          -1.446500E-02     
 10      1.823476E+02          -3.118200E-02     
 11      8.454885E+01          -2.583500E-02     
 12      3.839634E+01          -5.347000E-03     
 13      1.845859E+01           1.860150E-01     
 14      8.863548E+00           1.546580E-01     
 15      3.916227E+00           1.149700E-02     
 16      1.838870E+00          -9.445660E-01     
 17      8.043620E-01           3.343100E-01     
 18      1.697970E-01           1.641871E+00     
 19      7.930600E-02          -7.399980E-01     
S   1
  1      3.467700E-02           1.0000000        
S   1
  1      1.516000E-02           1.0000000        
P   15
  1      2.102792E+04           1.350000E-04     
  2      4.977560E+03           5.920000E-04     
  3      1.616740E+03           2.656000E-03     
  4      6.186718E+02           1.033700E-02     
  5      2.625183E+02           3.475200E-02     
  6      1.196907E+02           9.670400E-02     
  7      5.746585E+01           2.106590E-01     
  8      2.852829E+01           3.338280E-01     
  9      1.452148E+01           3.302200E-01     
 10      7.453850E+00           1.528010E-01     
 11      3.723553E+00           2.014900E-02     
 12      1.809813E+00          -2.709000E-03     
 13      8.513360E-01          -2.110000E-03     
 14      3.234058E-01          -3.520000E-04     
 15      1.190210E-01           3.600000E-05     
P   15
  1      2.102792E+04          -4.800000E-05     
  2      4.977560E+03          -2.120000E-04     
  3      1.616740E+03          -9.520000E-04     
  4      6.186718E+02          -3.733000E-03     
  5      2.625183E+02          -1.270700E-02     
  6      1.196907E+02          -3.637100E-02     
  7      5.746585E+01          -8.228200E-02     
  8      2.852829E+01          -1.376490E-01     
  9      1.452148E+01          -1.371660E-01     
 10      7.453850E+00           4.028700E-02     
 11      3.723553E+00           3.422120E-01     
 12      1.809813E+00           4.496570E-01     
 13      8.513360E-01           2.777700E-01     
 14      3.234058E-01           4.641500E-02     
 15      1.190210E-01          -2.949000E-03     
P   15
  1      2.102792E+04           1.000000E-05     
  2      4.977560E+03           4.300000E-05     
  3      1.616740E+03           1.930000E-04     
  4      6.186718E+02           7.600000E-04     
  5      2.625183E+02           2.582000E-03     
  6      1.196907E+02           7.428000E-03     
  7      5.746585E+01           1.679800E-02     
  8      2.852829E+01           2.839500E-02     
  9      1.452148E+01           2.816200E-02     
 10      7.453850E+00          -1.114600E-02     
 11      3.723553E+00          -8.334900E-02     
 12      1.809813E+00          -1.160880E-01     
 13      8.513360E-01          -7.006000E-02     
 14      3.234058E-01           1.995030E-01     
 15      1.190210E-01           5.660100E-01     
P   15
  1      2.102792E+04           2.000000E-05     
  2      4.977560E+03           8.800000E-05     
  3      1.616740E+03           3.950000E-04     
  4      6.186718E+02           1.556000E-03     
  5      2.625183E+02           5.282000E-03     
  6      1.196907E+02           1.521300E-02     
  7      5.746585E+01           3.437300E-02     
  8      2.852829E+01           5.843400E-02     
  9      1.452148E+01           5.896900E-02     
 10      7.453850E+00          -2.293700E-02     
 11      3.723553E+00          -1.978840E-01     
 12      1.809813E+00          -2.473250E-01     
 13      8.513360E-01           9.569000E-03     
 14      3.234058E-01           5.450030E-01     
 15      1.190210E-01           5.235180E-01     
P   1
  1      4.216200E-02           1.0000000        
P   1
  1      1.494000E-02           1.0000000        
D   7
  1      1.425904E+02           3.389000E-03     
  2      4.210219E+01           2.492800E-02     
  3      1.546337E+01           9.705600E-02     
  4      6.283810E+00           2.338120E-01     
  5      2.614170E+00           3.466580E-01     
  6      1.048020E+00           3.517990E-01     
  7      3.886520E-01           2.521850E-01     
D   7
  1      1.425904E+02          -3.527000E-03     
  2      4.210219E+01          -2.594700E-02     
  3      1.546337E+01          -1.036600E-01     
  4      6.283810E+00          -2.523870E-01     
  5      2.614170E+00          -2.967270E-01     
  6      1.048020E+00          -5.790000E-04     
  7      3.886520E-01           4.403890E-01     
D   1
  1      1.246640E-01           1.0000000        
D   1
  1      3.999000E-02           1.0000000        
F   2
  1      4.345500E+00           4.174290E-01     
  2      1.068000E+00           7.714830E-01     
F   1
  1      3.772500E-01           1.0000000        


name: aug-cc-pVDZ-DK
description: V5ZPD All-electron Douglas-Kroll Valence Quintuple Zeta + Polarization
elt: Cu
data:
COPPER
S   19
  1      5.430321E+06           1.580000E-04     
  2      8.131665E+05           4.520000E-04     
  3      1.850544E+05           1.229000E-03     
  4      5.241466E+04           3.120000E-03     
  5      1.709868E+04           7.912000E-03     
  6      6.171994E+03           2.014200E-02     
  7      2.406481E+03           5.046200E-02     
  8      9.972584E+02           1.166160E-01     
  9      4.339289E+02           2.255430E-01     
 10      1.962869E+02           3.101520E-01     
 11      9.104280E+01           2.261390E-01     
 12      4.138425E+01           7.699200E-02     
 13      1.993278E+01           1.087550E-01     
 14      9.581891E+00           1.029690E-01     
 15      4.234516E+00           1.629900E-02     
 16      1.985814E+00          -5.390000E-04     
 17      8.670830E-01          -2.000000E-06     
 18      1.813390E-01          -3.800000E-05     
 19      8.365700E-02           2.600000E-05     
S   19
  1      5.430321E+06          -8.900000E-05     
  2      8.131665E+05          -2.550000E-04     
  3      1.850544E+05          -6.940000E-04     
  4      5.241466E+04          -1.766000E-03     
  5      1.709868E+04          -4.498000E-03     
  6      6.171994E+03          -1.154500E-02     
  7      2.406481E+03          -2.941800E-02     
  8      9.972584E+02          -7.051700E-02     
  9      4.339289E+02          -1.477880E-01     
 10      1.962869E+02          -2.423800E-01     
 11      9.104280E+01          -2.390600E-01     
 12      4.138425E+01           4.769300E-02     
 13      1.993278E+01           5.194670E-01     
 14      9.581891E+00           4.781070E-01     
 15      4.234516E+00           8.055800E-02     
 16      1.985814E+00          -5.628000E-03     
 17      8.670830E-01          -7.200000E-05     
 18      1.813390E-01          -4.330000E-04     
 19      8.365700E-02           3.080000E-04     
S   19
  1      5.430321E+06           2.000000E-05     
  2      8.131665E+05           5.700000E-05     
  3      1.850544E+05           1.560000E-04     
  4      5.241466E+04           3.990000E-04     
  5      1.709868E+04           1.019000E-03     
  6      6.171994E+03           2.636000E-03     
  7      2.406481E+03           6.792000E-03     
  8      9.972584E+02           1.677200E-02     
  9      4.339289E+02           3.702400E-02     
 10      1.962869E+02           6.783200E-02     
 11      9.104280E+01           7.676800E-02     
 12      4.138425E+01          -2.858800E-02     
 13      1.993278E+01          -3.262330E-01     
 14      9.581891E+00          -4.451460E-01     
 15      4.234516E+00           1.815320E-01     
 16      1.985814E+00           7.219160E-01     
 17      8.670830E-01           3.686320E-01     
 18      1.813390E-01           1.639500E-02     
 19      8.365700E-02          -5.526000E-03     
S   19
  1      5.430321E+06          -4.000000E-06     
  2      8.131665E+05          -1.200000E-05     
  3      1.850544E+05          -3.200000E-05     
  4      5.241466E+04          -8.200000E-05     
  5      1.709868E+04          -2.080000E-04     
  6      6.171994E+03          -5.390000E-04     
  7      2.406481E+03          -1.388000E-03     
  8      9.972584E+02          -3.430000E-03     
  9      4.339289E+02          -7.579000E-03     
 10      1.962869E+02          -1.393400E-02     
 11      9.104280E+01          -1.582500E-02     
 12      4.138425E+01           5.891000E-03     
 13      1.993278E+01           7.064800E-02     
 14      9.581891E+00           1.003460E-01     
 15      4.234516E+00          -4.946100E-02     
 16      1.985814E+00          -2.136180E-01     
 17      8.670830E-01          -2.122030E-01     
 18      1.813390E-01           2.812990E-01     
 19      8.365700E-02           5.560680E-01     
S   19
  1      5.430321E+06          -8.000000E-06     
  2      8.131665E+05          -2.200000E-05     
  3      1.850544E+05          -5.900000E-05     
  4      5.241466E+04          -1.520000E-04     
  5      1.709868E+04          -3.780000E-04     
  6      6.171994E+03          -1.018000E-03     
  7      2.406481E+03          -2.473000E-03     
  8      9.972584E+02          -6.614000E-03     
  9      4.339289E+02          -1.315200E-02     
 10      1.962869E+02          -2.808300E-02     
 11      9.104280E+01          -2.366100E-02     
 12      4.138425E+01          -3.658000E-03     
 13      1.993278E+01           1.674510E-01     
 14      9.581891E+00           1.378490E-01     
 15      4.234516E+00           1.695000E-03     
 16      1.985814E+00          -7.988610E-01     
 17      8.670830E-01           2.036390E-01     
 18      1.813390E-01           1.549691E+00     
 19      8.365700E-02          -4.950240E-01     
S   1
  1      3.626700E-02           1.0000000        
S   1
  1      1.572000E-02           1.0000000        
P   15
  1      2.276057E+04           1.410000E-04     
  2      5.387679E+03           6.050000E-04     
  3      1.749945E+03           2.684000E-03     
  4      6.696653E+02           1.037000E-02     
  5      2.841948E+02           3.477600E-02     
  6      1.296077E+02           9.672600E-02     
  7      6.225415E+01           2.108770E-01     
  8      3.092964E+01           3.341900E-01     
  9      1.575827E+01           3.295570E-01     
 10      8.094211E+00           1.519250E-01     
 11      4.046921E+00           2.050700E-02     
 12      1.967869E+00          -1.966000E-03     
 13      9.252950E-01          -1.631000E-03     
 14      3.510930E-01          -2.570000E-04     
 15      1.267990E-01           2.500000E-05     
P   15
  1      2.276057E+04          -5.100000E-05     
  2      5.387679E+03          -2.200000E-04     
  3      1.749945E+03          -9.770000E-04     
  4      6.696653E+02          -3.803000E-03     
  5      2.841948E+02          -1.291600E-02     
  6      1.296077E+02          -3.695200E-02     
  7      6.225415E+01          -8.370900E-02     
  8      3.092964E+01          -1.400770E-01     
  9      1.575827E+01          -1.384230E-01     
 10      8.094211E+00           4.348600E-02     
 11      4.046921E+00           3.460780E-01     
 12      1.967869E+00           4.512300E-01     
 13      9.252950E-01           2.726370E-01     
 14      3.510930E-01           4.246400E-02     
 15      1.267990E-01          -2.769000E-03     
P   15
  1      2.276057E+04           1.000000E-05     
  2      5.387679E+03           4.300000E-05     
  3      1.749945E+03           1.900000E-04     
  4      6.696653E+02           7.430000E-04     
  5      2.841948E+02           2.515000E-03     
  6      1.296077E+02           7.246000E-03     
  7      6.225415E+01           1.637500E-02     
  8      3.092964E+01           2.778100E-02     
  9      1.575827E+01           2.712000E-02     
 10      8.094211E+00          -1.122600E-02     
 11      4.046921E+00          -8.147400E-02     
 12      1.967869E+00          -1.106180E-01     
 13      9.252950E-01          -6.866900E-02     
 14      3.510930E-01           1.921350E-01     
 15      1.267990E-01           5.631450E-01     
P   15
  1      2.276057E+04           1.900000E-05     
  2      5.387679E+03           8.300000E-05     
  3      1.749945E+03           3.680000E-04     
  4      6.696653E+02           1.447000E-03     
  5      2.841948E+02           4.866000E-03     
  6      1.296077E+02           1.412100E-02     
  7      6.225415E+01           3.164000E-02     
  8      3.092964E+01           5.456700E-02     
  9      1.575827E+01           5.304500E-02     
 10      8.094211E+00          -1.994600E-02     
 11      4.046921E+00          -1.835090E-01     
 12      1.967869E+00          -2.173260E-01     
 13      9.252950E-01          -2.821700E-02     
 14      3.510930E-01           5.289300E-01     
 15      1.267990E-01           5.575620E-01     
P   1
  1      4.416200E-02           1.0000000        
P   1
  1      1.538000E-02           1.0000000        
D   7
  1      1.776850E+02           2.709000E-03     
  2      5.254040E+01           2.068500E-02     
  3      1.947690E+01           8.362600E-02     
  4      8.001460E+00           2.129230E-01     
  5      3.398920E+00           3.355660E-01     
  6      1.405380E+00           3.581080E-01     
  7      5.453300E-01           2.664410E-01     
D   7
  1      1.776850E+02          -3.377000E-03     
  2      5.254040E+01          -2.581900E-02     
  3      1.947690E+01          -1.072400E-01     
  4      8.001460E+00          -2.805410E-01     
  5      3.398920E+00          -3.487320E-01     
  6      1.405380E+00           2.160900E-02     
  7      5.453300E-01           4.916130E-01     
D   1
  1      1.881100E-01           1.0000000        
D   1
  1      6.489000E-02           1.0000000        
F   2
  1      5.028600E+00           4.242800E-01     
  2      1.259400E+00           7.630250E-01     
F   1
  1      4.516500E-01           1.0000000        


