1#Van der Waals parameters file for RISM 2# name sigma(Angstrom) epsilon (kj/mol) 3N1 3.250 0.7118 4C1 3.400 0.4580 5H1 1.960 0.0657 6H2 1.960 0.0657 7H3 1.960 0.0657 8H4 1.069 0.0657 9H5 1.069 0.0657 10H6 1.069 0.0657 11 12