am1 force thermo rot=2 chlorobenzene C 0.000000 0 0.000000 0 0.000000 0 0 0 0 C 1.396881 1 0.000000 0 0.000000 0 1 0 0 C 1.396561 1 120.078430 1 0.000000 0 2 1 0 C 1.396576 1 119.989258 1 0.000000 1 3 2 1 C 1.396881 1 120.078430 1 0.000000 1 4 3 2 C 1.397461 1 119.847626 1 0.000000 1 1 2 3 Cl 1.724991 1 119.921066 1 180.000000 1 6 1 2 H 1.102234 1 119.394760 1 180.000000 1 1 2 3 H 1.102158 1 119.982269 1 180.000000 1 2 1 6 H 1.102112 1 120.004990 1 180.000000 1 3 2 1 H 1.102158 1 119.940308 1 180.000000 1 4 3 2 H 1.102219 1 119.394760 1 180.000000 1 5 4 3