Model calculations of the potential surface were carried out for the naphthalene-carbon dioxide (CO 2 ) system. The resultant potential surface was compared with the cases of benzene-CO 2 system in detail using several representative configurations. At the short intermolecular distance, the interaction of naphthalene-CO 2 system showed strong dependence on the relative configurations. It suggested that the large aromatic molecule tends to attract strongly the neighboring solvent molecules. The resultant potential surface was confirmed to reflect effect of the shape of a plate-like molecule on the solvent structures.