-------------------------------------------------------------------------------
** ASA RESULTS FOR 1S GTO SHELL **
-------------------------------------------------------------------------------
Fitting Quadratic Error: 0.001196281807075
# Functions: 5 PQN / Exponent / Coefficient
1 0.891910882476E+00 0.677549460524E+00
1 0.166294989201E+02 0.262512271781E+00
1 0.233921163867E+03 0.453144213822E-01
1 0.844940514841E+03 0.137118031273E-01
1 0.475087405721E+04 0.912043186030E-03
-------------------------------------------------------------------------------
** HARTREE-FOCK RESULTS **
-------------------------------------------------------------------------------
** ATOMIC90 LCAO SCF PROGRAM ONE CONFIGURATION **
COBALT [Ar]4S(2)3D(7) 4F Z=27
Contracted Gaussian Orbitals (Huzinaga 4/3/2 basis set):
Maximal Symmetry : 3
Symmetry Species : s p d
# Basis Functions : 4 2 1
** BASIS FUNCTIONS (Exponents/Coefficients) **
>>>Symmetry s
Function: 1
1 2 3 4
0.10399318E+05 0.15683018E+04 0.35574427E+03 0.95797803E+02
0.17476543E-01 0.12231385E+00 0.44159072E+00 0.55224783E+00
Function: 2
1 2 3
0.14419098E+03 0.15626699E+02 0.65808580E+01
-0.10671197E+00 0.64303130E+00 0.42707483E+00
Function: 3
1 2
0.13148758E+02 0.13591956E+01
0.21545021E+00 -0.10770614E+01
Function: 4
1 2
0.86089063E-01 0.30527326E-01
0.73039906E+00 0.30840561E+00
>>>Symmetry p
Function: 5
1 2 3 4
0.41707377E+03 0.97410066E+02 0.29847077E+02 0.10002930E+02
0.29255831E-01 0.18664333E+00 0.51134621E+00 0.44770306E+00
Function: 6
1 2
0.35197171E+01 0.10602173E+01
0.50421847E+00 0.59476846E+00
>>>Symmetry d
Function: 7
1 2 3
0.13837165E+02 0.34318767E+01 0.82083027E+00
0.16096963E+00 0.50584508E+00 0.60378063E+00
** HF RESULTS **
Electronic Energy : -0.137947827917727320D+04
Total Potential Energy: -0.275857688506036920D+04
Kinetic Energy : 0.137909860588309560D+04
One Electron Potential: 0.121930055245244540D+03
Virial : -0.200027530540061320D+01
** ATOMIC ORBITALS **
>>>Symmetry s
Orbital Energies
-0.28263942E+03 -0.34799097E+02 -0.44228926E+01 -0.25156272E+00
LCAO coefficients
0.98997680E+00 -0.33123861E+00 0.12717735E+00 0.28774445E-01
0.32990960E-01 0.10388847E+01 -0.42879748E+00 -0.65548412E-01
0.75301252E-02 -0.15276239E-01 -0.10636457E+01 -0.36756048E+00
0.11349483E-02 -0.82029865E-03 0.38318101E-01 -0.10475186E+01
>>>Symmetry p
Orbital Energies
-0.30063902E+02 -0.29234421E+01
LCAO coefficients
-0.99039187E+00 -0.39199108E+00
-0.26970743E-01 0.10648031E+01
>>>Symmetry d
Orbital Energies
-0.54195007E+00
LCAO coefficients
0.10000000E+01
** HF FIRST ORDER DENSITY COEFFICIENTS **
0.819833430E-01-0.545004289E-01 0.939654648E-01-0.197530755E-01 0.688236719E-01
0.938320715E-01-0.353678270E-02 0.761744000E-02 0.510060167E-01 0.813900263E-01
0.252118457E+00-0.173636317E+00 0.252118457E+00 0.259259259E+00