============================================================================== internuclear distances ------------------------------------------------------------------------------ center one | center two | atomic units | angstroms ------------------------------------------------------------------------------ 2 C | 1 C | 2.68494 | 1.42081 3 C | 1 C | 2.61218 | 1.38231 4 C | 3 C | 2.69621 | 1.42677 5 C | 4 C | 2.74323 | 1.45166 6 C | 2 C | 2.61218 | 1.38231 6 C | 5 C | 2.69621 | 1.42677 7 C | 4 C | 2.65752 | 1.40630 8 C | 7 C | 2.66552 | 1.41053 9 C | 8 C | 2.76614 | 1.46378 10 C | 5 C | 2.65752 | 1.40630 10 C | 9 C | 2.66552 | 1.41053 11 C | 8 C | 2.66504 | 1.41028 12 C | 9 C | 2.66504 | 1.41028 13 C | 12 C | 2.66504 | 1.41028 14 C | 11 C | 2.66504 | 1.41028 14 C | 13 C | 2.76614 | 1.46378 15 C | 13 C | 2.66552 | 1.41053 16 C | 14 C | 2.66552 | 1.41053 17 C | 15 C | 2.65752 | 1.40630 18 C | 16 C | 2.65752 | 1.40630 18 C | 17 C | 2.74323 | 1.45166 19 C | 17 C | 2.69621 | 1.42677 20 C | 18 C | 2.69621 | 1.42677 21 C | 19 C | 2.61218 | 1.38231 22 C | 20 C | 2.61218 | 1.38231 22 C | 21 C | 2.68494 | 1.42081 23 H | 1 C | 2.05721 | 1.08863 24 H | 2 C | 2.05721 | 1.08863 25 H | 3 C | 2.05938 | 1.08978 26 H | 6 C | 2.05938 | 1.08978 27 H | 7 C | 2.06057 | 1.09041 28 H | 10 C | 2.06057 | 1.09041 29 H | 11 C | 2.06020 | 1.09021 30 H | 12 C | 2.06020 | 1.09021 31 H | 15 C | 2.06057 | 1.09041 32 H | 16 C | 2.06057 | 1.09041 33 H | 19 C | 2.05938 | 1.08978 34 H | 20 C | 2.05938 | 1.08978 35 H | 21 C | 2.05721 | 1.08863 36 H | 22 C | 2.05721 | 1.08863 ------------------------------------------------------------------------------ number of included internuclear distances: 40 ============================================================================== internuclear angles ------------------------------------------------------------------------------ center 1 | center 2 | center 3 | degrees ------------------------------------------------------------------------------ 2 C | 1 C | 3 C | 120.02 2 C | 1 C | 23 H | 119.85 3 C | 1 C | 23 H | 120.12 1 C | 2 C | 6 C | 120.02 1 C | 2 C | 24 H | 119.85 6 C | 2 C | 24 H | 120.12 1 C | 3 C | 4 C | 121.68 1 C | 3 C | 25 H | 120.09 4 C | 3 C | 25 H | 118.23 3 C | 4 C | 5 C | 118.29 3 C | 4 C | 7 C | 122.88 5 C | 4 C | 7 C | 118.83 4 C | 5 C | 6 C | 118.29 4 C | 5 C | 10 C | 118.83 6 C | 5 C | 10 C | 122.88 2 C | 6 C | 5 C | 121.68 2 C | 6 C | 26 H | 120.09 5 C | 6 C | 26 H | 118.23 4 C | 7 C | 8 C | 122.72 4 C | 7 C | 27 H | 118.76 8 C | 7 C | 27 H | 118.52 7 C | 8 C | 9 C | 118.45 7 C | 8 C | 11 C | 122.99 9 C | 8 C | 11 C | 118.56 8 C | 9 C | 10 C | 118.45 8 C | 9 C | 12 C | 118.56 10 C | 9 C | 12 C | 122.99 5 C | 10 C | 9 C | 122.72 5 C | 10 C | 28 H | 118.76 9 C | 10 C | 28 H | 118.52 8 C | 11 C | 14 C | 122.89 8 C | 11 C | 29 H | 118.56 14 C | 11 C | 29 H | 118.56 9 C | 12 C | 13 C | 122.89 9 C | 12 C | 30 H | 118.56 13 C | 12 C | 30 H | 118.56 12 C | 13 C | 14 C | 118.56 12 C | 13 C | 15 C | 122.99 14 C | 13 C | 15 C | 118.45 11 C | 14 C | 13 C | 118.56 11 C | 14 C | 16 C | 122.99 13 C | 14 C | 16 C | 118.45 13 C | 15 C | 17 C | 122.72 13 C | 15 C | 31 H | 118.52 17 C | 15 C | 31 H | 118.76 14 C | 16 C | 18 C | 122.72 14 C | 16 C | 32 H | 118.52 18 C | 16 C | 32 H | 118.76 15 C | 17 C | 18 C | 118.83 15 C | 17 C | 19 C | 122.88 18 C | 17 C | 19 C | 118.29 16 C | 18 C | 17 C | 118.83 16 C | 18 C | 20 C | 122.88 17 C | 18 C | 20 C | 118.29 17 C | 19 C | 21 C | 121.68 17 C | 19 C | 33 H | 118.23 21 C | 19 C | 33 H | 120.09 18 C | 20 C | 22 C | 121.68 18 C | 20 C | 34 H | 118.23 22 C | 20 C | 34 H | 120.09 19 C | 21 C | 22 C | 120.02 19 C | 21 C | 35 H | 120.12 22 C | 21 C | 35 H | 119.85 20 C | 22 C | 21 C | 120.02 20 C | 22 C | 36 H | 120.12 21 C | 22 C | 36 H | 119.85 ------------------------------------------------------------------------------ number of included internuclear angles: 66 ==============================================================================