Cycle # 0 Number of site: 12 C 1.400000 0.000000 0.000000 C 0.700000 1.212436 0.000000 C -0.700000 1.212436 0.000000 C -1.400000 0.000000 0.000000 C -0.700000 -1.212436 0.000000 C 0.700000 -1.212436 0.000000 H 2.488100 0.000000 0.000000 H 1.244000 2.154671 0.000000 H -1.244000 2.154671 0.000000 H -2.488100 0.000000 0.000000 H -1.244000 -2.154671 0.000000 H 1.244000 -2.154671 0.000000 ----------------------------------------