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** ASA RESULTS FOR 1S GTO SHELL **
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Fitting Quadratic Error: 0.162604388142449
# Functions: 2 PQN / Exponent / Coefficient
1 0.246801216633E+01 0.912413466841E+00
1 0.144178391310E+03 0.875865331592E-01
Fitting Quadratic Error: 0.060244111256178
# Functions: 3 PQN / Exponent / Coefficient
1 0.208976203432E+01 0.878491959131E+00
1 0.377293007412E+03 0.218919916950E-01
1 0.672361977873E+02 0.996160491744E-01
Fitting Quadratic Error: 0.005227611032305
# Functions: 4 PQN / Exponent / Coefficient
1 0.456249245025E+01 0.444194088142E+00
1 0.252408834221E+00 0.455748508168E+00
1 0.932823905600E+02 0.870886216670E-01
1 0.510123015316E+03 0.129687820247E-01
Fitting Quadratic Error: 0.000417249287230
# Functions: 5 PQN / Exponent / Coefficient
1 0.432801783704E+01 0.450261917524E+00
1 0.234919053755E+00 0.443771174997E+00
1 0.748183927869E+02 0.797906413585E-01
1 0.281418786843E+03 0.246258047332E-01
1 0.163076922864E+04 0.155046138826E-02
Fitting Quadratic Error: 0.000131986548795
# Functions: 6 PQN / Exponent / Coefficient
1 0.223078404112E+00 0.434403577070E+00
1 0.411576821218E+01 0.451019115980E+00
1 0.341392613611E+02 0.314325115842E-01
1 0.101810059750E+03 0.668062320887E-01
1 0.372726304243E+03 0.154042000260E-01
1 0.211025369798E+04 0.934363253483E-03
Fitting Quadratic Error: 0.000020011053577
# Functions: 7 PQN / Exponent / Coefficient
1 0.350940109108E+01 0.380516619159E+00
1 0.206004290904E+00 0.419688180218E+00
1 0.739245782127E+01 0.956345055548E-01
1 0.708702931179E+02 0.689136330200E-01
1 0.186837174792E+03 0.262001679808E-01
1 0.456295201178E+03 0.811665715707E-02
1 0.205630516795E+04 0.930236911337E-03
Fitting Quadratic Error: 0.000011717046031
# Functions: 8 PQN / Exponent / Coefficient
1 0.342816075509E+01 0.369682594142E+00
1 0.203357078788E+00 0.417565639184E+00
1 0.565028241158E+02 0.360943769227E-01
1 0.105980051701E+03 0.507714916230E-01
1 0.347756446705E+03 0.168271811505E-01
1 0.194481371174E+04 0.963672988712E-03
1 0.194482852805E+04 0.133264955057E-03
1 0.711564759865E+01 0.107961777826E+00
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** HARTREE-FOCK RESULTS **
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** ATOMIC90 LCAO SCF PROGRAM ONE CONFIGURATION **
SULFUR [Ne]3S(2)3P(4) 3P Z=16
Contracted Gaussian Orbitals (Huzinaga 4/3/2 basis set):
Maximal Symmetry : 3
Symmetry Species : s p d
# Basis Functions : 3 2 0
** BASIS FUNCTIONS (Exponents/Coefficients) **
>>>Symmetry s
Function: 1
1 2 3 4
0.34896338E+04 0.52610742E+03 0.11883021E+03 0.31747588E+02
0.18241672E-01 0.12710578E+00 0.45076985E+00 0.54041779E+00
Function: 2
1 2 3
0.47626600E+02 0.47580118E+01 0.18922054E+01
-0.96544652E-01 0.60036284E+00 0.46877224E+00
Function: 3
1 2
0.34297038E+00 0.12251698E+00
0.72357060E+00 0.31523817E+00
>>>Symmetry p
Function: 4
1 2 3 4
0.11602324E+03 0.26645164E+02 0.78665552E+01 0.24722029E+01
0.33708230E-01 0.20119377E+00 0.50773056E+00 0.45172453E+00
Function: 5
1 2
0.61303001E+00 0.16854034E+00
0.47260721E+00 0.63776703E+00
>>>Symmetry d
** HF RESULTS **
Electronic Energy : -0.397019542367855120D+03
Total Potential Energy: -0.793825162174248000D+03
Kinetic Energy : 0.396805619806392960D+03
One Electron Potential: 0.591089234532234640D+02
Virial : -0.200053911172318200D+01
** ATOMIC ORBITALS **
>>>Symmetry s
Orbital Energies
-0.91845669E+02 -0.89883519E+01 -0.86630714E+00
LCAO coefficients
0.99220859E+00 0.29964329E+00 -0.77345355E-01
0.29340548E-01 -0.10300576E+01 0.51935560E+00
-0.56304072E-02 -0.14548830E-01 -0.11145085E+01
>>>Symmetry p
Orbital Energies
-0.66635460E+01 -0.43000087E+00
LCAO coefficients
-0.99407445E+00 -0.26623762E+00
-0.23944729E-01 0.10288310E+01
** HF FIRST ORDER DENSITY COEFFICIENTS **
0.135030788E+00-0.799269094E-01 0.166451213E+00 0.190640153E-01-0.141001331E+00
0.155296582E+00 0.388289626E+00-0.119104623E+00 0.264838294E+00