THIS INFORMATION IS OBSOLETE AND IS PROVIDED ONLY FOR ITS HISTORICAL VALUE

by Gyula Dmtr and Miklos I. Bn, Institute of General and Physical Chemistry, J"zsef Attila University, P.O.B. 105, H-6701 Szeged, Hungary

This program is a self-contained, modified and supplemented version of the symmetry-calculating part of MOPN (QCPE 383). It performs calculations on molecules containing fewer than or equal to 30 atoms and 100 orbitals bearing s, p and d electrons. Using geometry data, MO coefficients and orbital energies calculated by quantum chemical methods, the program determines the symmetry group of the molecule and assigns the molecular orbitals to irreducible representations of the symmetry group. The listing contains COMMENT cards which give test examples and the necessary information for using the program.

FORTRAN IV (IBM) Lines of Code: 1227