Non-empirical LCAO MO SCF studies on CH(5)(+)

Non-empirical LCAO MO SCF studies on CH(5)(+) indicate that the C(S) geometry is notably less stable than the D(3h) or C(4v) configurations. CKDO/2 calculations using the original Pople parameters also indicate that the D(3h) and C(4v) configurations are more stable than the C(S) geometry. In contrast to this the parameters of Wiberg used in the article of Gamba et al. in this journal indicate that the C(S) geometry is slightly more stable than the D(3h) or C(4v) geometries. suggesting that the CNDO/2 calculations are sensitive to the parameterization used. Further investigation is needed to determine which of the two configurations, D(3h) or C(4v), is the most stable and whether or not one of these configurations represents the ground state geometry of CH(5)(+).