THIS INFORMATION IS OBSOLETE AND IS PROVIDED ONLY FOR ITS HISTORICAL VALUE

by Raymond G. Jesaitis, Department of Chemistry, State University of New York, Stony Brook, New York 11790

This program does calculations by the Mulliken method, using electron repulsion and nuclear attraction integrals based on s-orbitals as does CNDO. However, this is a full overlap program. The program is derived from QCPE 100 and 48 and is written in FORTRAN IV. The output and input are explained within the listing. There is some compensation for the non- Mulliken character of the two-center kinetic energy integrals.

FORTRAN IV (IBM 360) Lines of Code: 1038 Recommended Citation: R. G. Jesaitis, QCPE 11, 185 (1971).