THIS INFORMATION IS OBSOLETE AND IS PROVIDED ONLY FOR ITS HISTORICAL VALUE

by T. D. Metzgar and J. E. Bloor, Chemistry Department, The University of Tennessee, Knoxville, Tennessee 37916

This program is POLYATOM (Version 2) modified to enable it to be run on an IBM 360/65 in double precision. In its present form, the SCF part requires a maximum of 268 Kb core. However, we have used it with slow core so that a maximum of 256 Kb core and 32 Kb LCS is required. The molecular properties package requires 468 Kb or 224 Kb and 256 Kb LCS.

The data preparation and description of the program are as in the original POLYATOM (Version 2) writeup or as listed in the program.

Test data for HF is in the original writeup. In addition, a calculation of Cl2 is supplied.

In addition to the normal POLYATOM documentation which is pertinent to this program, a short check-out report is included as well as the Cl2 output.

FORTRAN (IBM 360) Lines of Code: 25,096 Recommended Citation: T. D. Metzgar and J. E. Bloor, QCPE 11, 238 (1974).