Cumulative atomic multipole moments and point charge models describing molecular charge distribution

Abstract

The program for decomposition of a molecular charge distributions into the sets of cumulative atomic multipole moments (CAMM) up to hexadecapole moment is presented. Additionally decomposition of all atomic multipole moments into sets of point charges can be done reproducing simultaneously all atomic and molecular multipole moments up to quadrupole. The program follows the convention used in GAUSSIAN-82/GAUSSIAN-86 ab initio programs and can be used for further analysis of results obtained with these programs.