THIS INFORMATION IS OBSOLETE AND IS PROVIDED ONLY FOR ITS HISTORICAL VALUE

by J. Del Bene, H. H. JaffO(e,+), R. L. Ellis, and G. Kuehnlenz, University of Cincinnati, Cincinnati, Ohio 45221

This program performs molecular orbital calculation for molecules in closed-shell electronic configurations using the CNDO/S method described by J. Del Bene and H. H. JaffO(e,+), J. Chem. Phys., 48, 1807 (1968), with the following revisions:

1. The two-center two-electron repulsion integrals are calculated by the Mataga approximation. 2. The CI matrix is symmetry blocked. Up to 31 centers and 100 basis members can be employed, and the program requires a computing system with an overlay facility.

FORTRAN IV Lines of Code: 3570 Recommended Citation: J. Del Bene , QCPE 11, 174 (1970).