am1 force thermo rot=2 ethane reaction path following C 0.000000 0 0.000000 0 0.000000 0 0 0 0 C 1.522995 1 0.000000 0 0.000000 0 1 0 0 H 1.112976 1 109.998169 1 0.000000 0 1 2 0 H 1.112976 1 109.999924 1 239.921570 1 1 2 3 H 1.112976 1 109.999924 1 120.078430 1 1 2 3 H 1.112991 1 109.999924 1 180.000000 -1 2 1 3 H 1.112961 1 109.999924 1 59.923813 1 2 1 3 H 1.112991 1 109.999924 1 300.077927 1 2 1 3 170 160 150 140 130 120 110 100 90 80 70 60 50 40 30 20 10 0