$comment benzene EDF1/6-31+G* Single point energy $end $molecule 0 1 c1 c2 c1 cc c3 c2 cc c1 120.0 c4 c3 cc c2 120.0 c1 0.0 c5 c4 cc c3 120.0 c2 0.0 c6 c5 cc c4 120.0 c3 0.0 h1 c1 hc c2 120.0 c3 180.0 h2 c2 hc c3 120.0 c4 180.0 h3 c3 hc c4 120.0 c5 180.0 h4 c4 hc c5 120.0 c6 180.0 h5 c5 hc c6 120.0 c1 180.0 h6 c6 hc c1 120.0 c2 180.0 cc = 1.3862 hc = 1.0756 $end $rem EXCHANGE EDF1 Compound exchange-correlation BASIS 6-31+G* Basis Set INTEGRALS_BUFFER 128 SYMMETRY FALSE Switch symmetry off $end