THIS INFORMATION IS OBSOLETE AND IS PROVIDED ONLY FOR ITS HISTORICAL VALUE

by Thomas Rush III, Department of Chemistry, Princeton University, Princeton, New Jersey 08544

This program calculates the resonance Raman (RR) intensities of the totally symmetric modes of a molecule using the transform approach to RR scattering. A description of the theory and formulae used in this program may be found in the following references:

1. J. Phys. Chem., 99, l4647 (1995). 2. J. Comp. Chem., l6, l26 (1995). 3. J. Phys. Chem. (Rush, Kumble, Mukherjee, Blackwood and Spiro), submitted 2/96.

The input required for the program is the molecule's absorption spectrum, the L matrix from a Wilson GF normal-mode calculation, the predicted changes in the internal coordinates upon excitation, and the vibrational frequencies.

Please cite RRIP in published work as: Thomas Rush III, RRIP v. l.0 (QCPE program 669), 1996.

Lines of Code: 915 FORTRAN 77 (UNIX)