THIS INFORMATION IS OBSOLETE AND IS PROVIDED ONLY FOR ITS HISTORICAL VALUE

by K. F. Purcell and J. Zapata, Department of Chemistry, Kansas State University, Manhattan, Kansas 66502

This program is a hybrid of two existing programs, CNINDO (QCPE 141) and OPTMO (QCPE 217). The former is the well-known Dobosh program for CNDO/INDO calculations on open- and closed-shell molecules, while the latter is the Komornicki-McIver program for geometry optimization according to the EHT and MINDO/2 schemes. This program is in double precision standard FORTRAN IV for the IBM 360/370 computer. The theoretical basis for the general program strategy and calculation of gradients with respect to distance of the overlap integrals and Coulomb integrals can be found in the following papers:

1. J. Pancier, Theoret. Chem. Acta (Berlin), 29, 21 (1973). 2. J. W. McIver and A. Komornicki, Chem. Phys. Lett., 10, 303 (1971). FORTRAN IV Lines of Code: 2694 Recommended Citation: K. F. Purcell and J. Zapata, QCPE 11, 312 (1976).