Complete Sets and Redundancies among Small Vibrational Coordinates

Abstract

A simple prescription is given for defining internal coordinates of the bond stretching, bending, out‐of‐plane bending, and torsional types which yields a kinematically complete set of vibrational coordinates with no redundancies in acyclic molecules and with 6μ redundancies in cyclic molecules, where μ is the number of bonds which must be deleted to render the molecule acyclic.