------------------------------------------------------------------------------- ** ASA RESULTS FOR 1S GTO SHELL ** ------------------------------------------------------------------------------- Fitting Quadratic Error: 0.018491348745706 # Functions: 1 PQN / Exponent / Coefficient 1 0.113016684780E+01 0.100000000000E+01 Fitting Quadratic Error: 0.001089568108995 # Functions: 2 PQN / Exponent / Coefficient 1 0.705128316152E+00 0.828896903794E+00 1 0.460226167419E+01 0.171103096206E+00 ------------------------------------------------------------------------------- ** HARTREE-FOCK RESULTS ** ------------------------------------------------------------------------------- ** ATOMIC90 LCAO SCF PROGRAM ONE CONFIGURATION ** HELIUM 1S(2) 1S Z=2 Contracted Gaussian Orbitals (Huzinaga 4/3/2 basis set): Maximal Symmetry : 3 Symmetry Species : s p d # Basis Functions : 1 0 0 ** BASIS FUNCTIONS (Exponents/Coefficients) ** >>>Symmetry s Function: 1 1 2 3 0.13623240E+02 0.19989420E+01 0.38293800E+00 0.80260000E-01 0.40919000E+00 0.65722000E+00 >>>Symmetry p >>>Symmetry d ** HF RESULTS ** Electronic Energy : -0.283567987567118480D+01 Total Potential Energy: -0.567132684118543840D+01 Kinetic Energy : 0.283564696551425320D+01 One Electron Potential: 0.334992471360943800D+01 Virial : -0.200001160587242760D+01 ** ATOMIC ORBITALS ** >>>Symmetry s Orbital Energies -0.90357864E+00 LCAO coefficients 0.10000000E+01 ** HF FIRST ORDER DENSITY COEFFICIENTS ** 0.100000000E+01