Ab initio molecular orbital studies of pyramidal B3H6X structures (X=B^2^-, C^-, N, O^+, BH^-, CH and NH^+) indicate that, for structures where X=N, O^+ and NH^+, the terminal hydrogens (Ht) of the B3H6 ring are toward the direction of the apical X. In contrast, the Ht are found to be away from the caping group for X=B^2^-, C^-, BH^- and CH. The binding energy of B3H6 ring with apical fragmentation X was calcutated.

Key words: STABILITY, CHEMICAL BONDS, AB INITIO CALCULATION, BORANE, BINDING ENERGY