Abstract: The electronic structures of phthalocyanine molecule (H_2Pc) and phthalocyanine fragment in which four benzene ring are excised (H_2Pc′)are computed by CNDO/2 method. Comparison of the electronic density distribution of two systems shows that disagreement between the theoretic results and the XPS of H_2Pc is mainly ascribed to solid effect. Some disputes on the computation of the elctronic structure of H_2Pc are discussed.