Semiempirical self-consistent field (SCF) and configuration interaction (CI) calculations of the intermediate neglect of differential overlap (INDO) type are applied to the analysis of the electronic transitions of the hexaazacyclophane base and its Ni and Cu complexes. The ground states ( 1 A g for the ligand and Ni complex, 2 B 1 g for the Cu complex) are planar structures of D 2 h symmetry. The low-energy region of the UV-visible spectra, whose analysis may help to recognize the catalytic active sites of the complexes is associated with d -> d transitions in the Ni complex, and M -> L charge transfer in the Cu complex.