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MINDO/3-FORCES quantum mechanical calculations yielded non-planar (C 2 ) geometry of Ben-zo(c)phenanthrene. The result agrees with the majority of published results but disagrees with others in which a planar (C 2  V) structure was accepted in order to simplify the analysis of certain spectroscopic data. Vibration frequencies and IR absorption intensities were calculated then, applying the non-planar (C 2 ) structure. A complete normal coordinate analysis for the molecule is reported. Inspection of these coordinates allowed the discovery of some useful comparative relations between them, which are re­ ported in the paper.

Vibration Frequencies and Normal Coordinates of Benzo(c)phenanthrene