Abstract
The computation of the vibration spectrum of the nitromethane molecule demonstrated that the solution of the vibration problem is essentially defined by the choice of nonvalent interaction potentials. The analysis of the F matrix enabled us to propose the formalism for the choice of potentials and their application in solving the vibration problems. Dashevskii's, Ramachandran's, Magnasco's, Kitaigorodskii's and Scott—Scheraga's potentials were investigated. In this sense the first two sets of potentials were found to be the best.
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