Conclusions Both ab initio basis sets provide a satisfactory descritpion of the most important conformational aspects in the 1, 2-dimethylenecyclohexane molecule, although the 3-21G results should be preferred with respect to the quantitative reproduction of geometry and energy data. A chairlike minimum structure is indicated, which may easily undergo ring inversion via an inversion/pseudorotation process as the most economical pathway. The ...
