In an attempt to put irreducible representation of symmetry point group to use, the ligand group orbit of some transition metal dichalcogenides, the compounds TX₂ (T = Ti, Zr, Hf, V, Nb, Mo, W; X = S, Se) and their energies were evaluated. The level scheme of molecular orbitals of the TX₂ compounds and a simple model for bond structure is qualitatively given. The relationship between the structure of these compounds and their lubrication performance is discussed. It is indicated that pile-up type and symmetry type, configurations in which electrons occupy the d orbital, provide better lubrication performance. Presented at the 36th Annual Meeting in Pittsburgh, Pennsylvania, May 11–14, 1981