VIBRATIONAL PROPERTIES OF (R)-METHYLTHIIRANE FROM MOLLER-PLESSET PERTURBATION-THEORY

The infrared, Raman frequencies and intensities and the vibrational dichroism of the molecule have been computed using Hartree-Fock and Møller-Plesset perturbation theories. In general, the frequencies and intensities computed by perturbation theory improve the Hartree-Fock description of the spectra. For one of the spectral regions, only the values corrected by perturbation theory are entirely compatible with the measured intensities and signs. © 1990 American Institute of Physics.