Gaussian 03 Online ManualLast update: 2 October 2006 | |

## HFThis
method keyword requests a Hartree-Fock calculation. Unless explicitly specified,
SCF
single point energy calculations involving basis sets which include diffuse functions
should use the Energies,
analytic gradients, and analytic frequencies for The Hartree-Fock energy appears in the output as follows: SCF Done: E(RHF) = -74.9646569691 A.U. after 4 cycles Convg = .6164D-03 -V/T = 2.0063 S**2 = .0000 The second
and third lines give the SCF convergence limit and the expectation value of S |