Abstract

The anharmonic constants x pq , g pq are recomputed for C 6H 6, using a previously obtained self consistent field quartic forcefield. Particular care has been taken to obtain correct values for the anharmonic constants when p and q refer to degenerate modes t and t′, by treating the molecule as an asymmetric top. The Pliva formulae have been verified for x tt , g tt , x tt′ and g tt′ . Values for the vibrational l-type doubling constants r tt′ , s tt′ have also been determined. The importance of Fermi-I and Fermi-II resonances has also been examined.

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