AB initio calculations of CH3OH vibrational force constants |
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| Authors: | E. Taillandier D.J. David |
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| Affiliation: | U.E.R. Expérimentale de Médecine et Biologie Humaine de Bobigny, and Groupe lnfrarouge du Département de Recherches Physiques de l''Université de Paris. Paris, France;Laboratoire de Chimie de l''Ecole Normale Supérieure de Jeunes Filles, Montrouge. 92 Montrouge, France |
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| Abstract: | SCF equilibrium geometry, population analysis and vibrational force constants of the CH3OH molecule have been determined ab initio using the SCF LCGO method. A fair agreement with experiment is found. The main result is the asymmetry of the methyl group. |
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