THIS INFORMATION IS OBSOLETE AND IS PROVIDED ONLY FOR ITS HISTORICAL VALUE

by Neil S. Ostlund, Department of Chemistry, University of Arkansas, Fayetteville, Arkansas

Converted and modified by Roberta Musio, Centro C.N.R. Metodologie Innovative di Sintesi Organiche, Dipartimento di Chimica, Università degli Studi di Bari, Via G. Amendola, 173, I-70126 Bari, Italia

This program is essentially a translation of Ostlund's FINITE program (QCPE 224) to IBM PCs. It performs the calculation of the Fermi contribution to coupling constants using the INDO approximation and finite perturbation theory. Also included is the PRMO (partial restriction of atomic orbitals) option.

The calculation can be performed for molecules containing up to 35 atoms or 80 basis functions (whichever is smaller) and for elements H to F.

IBM FORTRAN (Version 2.0 or later) Lines of Code: 1200