We performed DFT calculations (BLYP general-gradient approximation in conjunction with a double numerical basis set) for the interaction of free porphine ligand and a number of its metal complexes with C-60 molecule to analyze how the nature of a central metal ion influences the geometry and electronic characteristics (electrostatic potential and spin density distribution and highest-occupied molecular orbital (HOMO) and lowest-unoccupied molecular orbital (LUMO) structure). We found that the presence of a central metal ion is crucial for a strong interaction. The energy of interaction between H2P and C-60 is -0.3 kcal mol(-1) only,(2) whereas the formation energies for the metal complexes vary from -27.3 kcal mol(-1) for (MnCIPC60)-C-. to -45.8 kcal mol(-1) for (MnPC60)-C-.. As a rule, the formation energy correlates with the separations between porphinate and fullerene molecules; the Mn and Fe complexes exhibit the closest approach of ca. 2.2 angstrom between the metal ion and carbon atoms Of C-60. In most porphine-C-60 complexes studied, the two closest contacts of central metal ion or H are those with carbon atoms of the (6,6) bond; (VOPC60)-C-. is the only exception, where the closest V center dot center dot center dot C contacts involve the (5,6) bond. The macrocycle geometry changes, and the magnitude of the effect depends on the central atom, being especially dramatic for Mn, MnCl, and Fe complexes. The shape of LUMOs in most complexes With C-60 is not affected notably as compared to the LUMO of the isolated C-60 molecule. In the case of Fe, the HOMO extends from the central atom to two opposite pyrrol rings. At the same time, the HOMO-LUMO gap energy decreases drastically in most cases, by ca. 2030 kcal mol(-1). For electrostatic potential distribution, we systematically observed that the negative lobe contacting C-60 shrinks, whereas the opposite one becomes notably bigger. In the case of paramagnetic complexes of VO, Mn, FeCl, Co, and Cu, spin density distribution was analyzed as well.