============================================================================== internuclear distances ------------------------------------------------------------------------------ center one | center two | atomic units | angstroms ------------------------------------------------------------------------------ 2 C | 1 C | 2.68046 | 1.41844 3 C | 1 C | 2.60130 | 1.37655 4 C | 3 C | 2.68710 | 1.42195 5 C | 4 C | 2.73670 | 1.44820 6 C | 2 C | 2.60130 | 1.37655 6 C | 5 C | 2.68710 | 1.42195 7 C | 4 C | 2.65058 | 1.40263 8 C | 7 C | 2.65375 | 1.40430 9 C | 8 C | 2.75020 | 1.45534 10 C | 5 C | 2.65058 | 1.40263 10 C | 9 C | 2.65375 | 1.40430 11 C | 8 C | 2.65547 | 1.40521 12 C | 9 C | 2.65547 | 1.40521 13 C | 12 C | 2.65547 | 1.40521 14 C | 11 C | 2.65547 | 1.40521 14 C | 13 C | 2.75020 | 1.45534 15 C | 13 C | 2.65375 | 1.40430 16 C | 14 C | 2.65375 | 1.40430 17 C | 15 C | 2.65058 | 1.40263 18 C | 16 C | 2.65058 | 1.40263 18 C | 17 C | 2.73670 | 1.44820 19 C | 17 C | 2.68710 | 1.42195 20 C | 18 C | 2.68710 | 1.42195 21 C | 19 C | 2.60130 | 1.37655 22 C | 20 C | 2.60130 | 1.37655 22 C | 21 C | 2.68046 | 1.41844 23 H | 1 C | 2.04538 | 1.08237 24 H | 2 C | 2.04538 | 1.08237 25 H | 3 C | 2.04735 | 1.08341 26 H | 6 C | 2.04735 | 1.08341 27 H | 7 C | 2.04958 | 1.08459 28 H | 10 C | 2.04958 | 1.08459 29 H | 11 C | 2.04988 | 1.08475 30 H | 12 C | 2.04988 | 1.08475 31 H | 15 C | 2.04958 | 1.08459 32 H | 16 C | 2.04958 | 1.08459 33 H | 19 C | 2.04735 | 1.08341 34 H | 20 C | 2.04735 | 1.08341 35 H | 21 C | 2.04538 | 1.08237 36 H | 22 C | 2.04538 | 1.08237 ------------------------------------------------------------------------------ number of included internuclear distances: 40 ============================================================================== internuclear angles ------------------------------------------------------------------------------ center 1 | center 2 | center 3 | degrees ------------------------------------------------------------------------------ 2 C | 1 C | 3 C | 120.59 2 C | 1 C | 23 H | 119.35 3 C | 1 C | 23 H | 120.06 1 C | 2 C | 6 C | 120.59 1 C | 2 C | 24 H | 119.35 6 C | 2 C | 24 H | 120.06 1 C | 3 C | 4 C | 120.59 1 C | 3 C | 25 H | 120.48 4 C | 3 C | 25 H | 118.94 3 C | 4 C | 5 C | 118.83 3 C | 4 C | 7 C | 121.97 5 C | 4 C | 7 C | 119.21 4 C | 5 C | 6 C | 118.83 4 C | 5 C | 10 C | 119.21 6 C | 5 C | 10 C | 121.97 2 C | 6 C | 5 C | 120.59 2 C | 6 C | 26 H | 120.48 5 C | 6 C | 26 H | 118.94 4 C | 7 C | 8 C | 121.79 4 C | 7 C | 27 H | 119.07 8 C | 7 C | 27 H | 119.13 7 C | 8 C | 9 C | 119.00 7 C | 8 C | 11 C | 121.96 9 C | 8 C | 11 C | 119.03 8 C | 9 C | 10 C | 119.00 8 C | 9 C | 12 C | 119.03 10 C | 9 C | 12 C | 121.96 5 C | 10 C | 9 C | 121.79 5 C | 10 C | 28 H | 119.07 9 C | 10 C | 28 H | 119.13 8 C | 11 C | 14 C | 121.93 8 C | 11 C | 29 H | 119.03 14 C | 11 C | 29 H | 119.03 9 C | 12 C | 13 C | 121.93 9 C | 12 C | 30 H | 119.03 13 C | 12 C | 30 H | 119.03 12 C | 13 C | 14 C | 119.03 12 C | 13 C | 15 C | 121.96 14 C | 13 C | 15 C | 119.00 11 C | 14 C | 13 C | 119.03 11 C | 14 C | 16 C | 121.96 13 C | 14 C | 16 C | 119.00 13 C | 15 C | 17 C | 121.79 13 C | 15 C | 31 H | 119.13 17 C | 15 C | 31 H | 119.07 14 C | 16 C | 18 C | 121.79 14 C | 16 C | 32 H | 119.13 18 C | 16 C | 32 H | 119.07 15 C | 17 C | 18 C | 119.21 15 C | 17 C | 19 C | 121.97 18 C | 17 C | 19 C | 118.83 16 C | 18 C | 17 C | 119.21 16 C | 18 C | 20 C | 121.97 17 C | 18 C | 20 C | 118.83 17 C | 19 C | 21 C | 120.59 17 C | 19 C | 33 H | 118.94 21 C | 19 C | 33 H | 120.48 18 C | 20 C | 22 C | 120.59 18 C | 20 C | 34 H | 118.94 22 C | 20 C | 34 H | 120.48 19 C | 21 C | 22 C | 120.59 19 C | 21 C | 35 H | 120.06 22 C | 21 C | 35 H | 119.35 20 C | 22 C | 21 C | 120.59 20 C | 22 C | 36 H | 120.06 21 C | 22 C | 36 H | 119.35 ------------------------------------------------------------------------------ number of included internuclear angles: 66 ==============================================================================