Use of group theory for the analysis of vibrational spectra Original Research Article

To facilitate the use of group theory in the analysis of vibrational spectra, a set of Maple procedures is provided generating the normal coordinates and determining the spectral activities of polyatomic molecules. Our program, called Bethe, is based on the frequently applied point groups and provides an interactive access to the group data as needed in physical chemistry and elsewhere. Owing to the demand of the users the normal coordinates of the molecules are provided either in terms of Cartesian or internal coordinates.