THIS INFORMATION IS OBSOLETE AND IS PROVIDED ONLY FOR ITS HISTORICAL VALUE

by Lisa Emily Chirlian and Michelle M. Francl, Department of Chemistry, Princeton University, Princeton, New Jersey 08544

CHELP calculates the electrostatic potential of a molecule from the Hartree-Fock wave function using Gaussian basis sets. Point charges placed at the atomic centers are fit to this potential using the method of Lagrange multipliers.

Restrictions: Total number of basis functions: 256

Additional program required: GAUSSIAN 82, release H by J. S. Binkley, M. Frisch, R. Krishnan, D. J. De Frees, H. B. Schlegel, R. Whiteside, E. Fluder, R. Seeger and J. A. Pople, Carnegie-Mellon University (1982).

This program is relatively simple to modify to use results from other molecular oribital programs if you are not using GAUSSIAN 82.

FORTRAN 77 (VAX) Lines of Code: 2330