Density functional theory calculations revealed that HOMO-LUMO orbitals are hardly localized on halogens (Figure ). Alternately, the absorption maximums of SubPc with halogens at α-positions are slightly red-shifted from those with halogens at β-positions. As far as different molecules are used, various properties will inevitably be altered. To the best of our knowledge, there are no similar examples where the symmetry of molecular assemblies is distinguished using similar molecules. These are the ideal samples to investigate the correlation between symmetry and physical properties.