Out-of-Plane Force Constants of Benzene

Abstract

The out‐of‐plane force constants were calculated from the out‐of‐plane frequencies of C₆H₆, C₆D₆, and sym.‐C₆H₃D₃ molecules with the use of the least square method recently developed. The 45 frequencies of C₆H₆, C₆D₆, sym.‐C₆H₃D₃, p‐C₆H₄D₂, p‐C₆H₂D₄, and C₆H₅D molecules calculated from five force constants obtained are in good agreement with the observed, with the maximum and the mean deviations of 2.8 and 1.35%, respectively.