THIS INFORMATION IS OBSOLETE AND IS PROVIDED ONLY FOR ITS HISTORICAL VALUE

by D. D. Shillady, Chemistry Department, Virginia Commonwealth University, Richmond, Virginia 23284

This program was designed with speed and low core requirements in mind. It offers a subminimal Gaussian lobe basis for geometry optimization of closed-shell species and two minimal basis sets roughly comparable to 4G nuclear-centered Gaussians. The program can be restarted in several ways to piecemeal a long run, and it will run in less than 135 Kb bytes of 360/40 storage. A simple property package offers population analysis and dipole moment. Data input is extremely simple, and up to 12 atoms, 35 contracted orbitals or 108 primitive Gaussian spheres can be treated. The generation of s, p and d STO mimics is completely automatic including scaling to single zeta values.

FORTRAN (IBM 360) Lines of Code: 1249 Recommended Citation: D. D. Shillady, QCPE 11, 239 (1974).