============================================================================== internuclear distances ------------------------------------------------------------------------------ center one | center two | atomic units | angstroms ------------------------------------------------------------------------------ 2 C | 1 C | 2.74528 | 1.45274 3 C | 1 C | 2.66298 | 1.40919 4 C | 2 C | 2.66298 | 1.40919 5 C | 1 C | 2.66298 | 1.40919 6 C | 2 C | 2.66298 | 1.40919 7 C | 3 C | 2.63029 | 1.39189 8 C | 4 C | 2.63029 | 1.39189 9 C | 5 C | 2.63029 | 1.39189 9 C | 8 C | 2.74405 | 1.45209 10 C | 6 C | 2.63029 | 1.39189 10 C | 7 C | 2.74405 | 1.45209 11 C | 7 C | 2.70835 | 1.43320 12 C | 8 C | 2.70835 | 1.43320 13 C | 9 C | 2.70835 | 1.43320 14 C | 10 C | 2.70835 | 1.43320 15 C | 11 C | 2.58221 | 1.36645 16 C | 12 C | 2.58221 | 1.36645 17 C | 13 C | 2.58221 | 1.36645 17 C | 16 C | 2.70097 | 1.42929 18 C | 14 C | 2.58221 | 1.36645 18 C | 15 C | 2.70097 | 1.42929 19 H | 3 C | 2.05135 | 1.08553 20 H | 4 C | 2.05135 | 1.08553 21 H | 5 C | 2.05135 | 1.08553 22 H | 6 C | 2.05135 | 1.08553 23 H | 11 C | 2.04989 | 1.08475 24 H | 12 C | 2.04989 | 1.08475 25 H | 13 C | 2.04989 | 1.08475 26 H | 14 C | 2.04989 | 1.08475 27 H | 15 C | 2.04780 | 1.08365 28 H | 16 C | 2.04780 | 1.08365 29 H | 17 C | 2.04780 | 1.08365 30 H | 18 C | 2.04780 | 1.08365 ------------------------------------------------------------------------------ number of included internuclear distances: 33 ============================================================================== internuclear angles ------------------------------------------------------------------------------ center 1 | center 2 | center 3 | degrees ------------------------------------------------------------------------------ 2 C | 1 C | 3 C | 118.82 2 C | 1 C | 5 C | 118.82 3 C | 1 C | 5 C | 122.36 1 C | 2 C | 4 C | 118.82 1 C | 2 C | 6 C | 118.82 4 C | 2 C | 6 C | 122.36 1 C | 3 C | 7 C | 121.95 1 C | 3 C | 19 H | 118.80 7 C | 3 C | 19 H | 119.24 2 C | 4 C | 8 C | 121.95 2 C | 4 C | 20 H | 118.80 8 C | 4 C | 20 H | 119.24 1 C | 5 C | 9 C | 121.95 1 C | 5 C | 21 H | 118.80 9 C | 5 C | 21 H | 119.24 2 C | 6 C | 10 C | 121.95 2 C | 6 C | 22 H | 118.80 10 C | 6 C | 22 H | 119.24 3 C | 7 C | 10 C | 119.23 3 C | 7 C | 11 C | 122.35 10 C | 7 C | 11 C | 118.43 4 C | 8 C | 9 C | 119.23 4 C | 8 C | 12 C | 122.35 9 C | 8 C | 12 C | 118.43 5 C | 9 C | 8 C | 119.23 5 C | 9 C | 13 C | 122.35 8 C | 9 C | 13 C | 118.43 6 C | 10 C | 7 C | 119.23 6 C | 10 C | 14 C | 122.35 7 C | 10 C | 14 C | 118.43 7 C | 11 C | 15 C | 121.07 7 C | 11 C | 23 H | 118.30 15 C | 11 C | 23 H | 120.64 8 C | 12 C | 16 C | 121.07 8 C | 12 C | 24 H | 118.30 16 C | 12 C | 24 H | 120.64 9 C | 13 C | 17 C | 121.07 9 C | 13 C | 25 H | 118.30 17 C | 13 C | 25 H | 120.64 10 C | 14 C | 18 C | 121.07 10 C | 14 C | 26 H | 118.30 18 C | 14 C | 26 H | 120.64 11 C | 15 C | 18 C | 120.51 11 C | 15 C | 27 H | 120.29 18 C | 15 C | 27 H | 119.20 12 C | 16 C | 17 C | 120.51 12 C | 16 C | 28 H | 120.29 17 C | 16 C | 28 H | 119.20 13 C | 17 C | 16 C | 120.51 13 C | 17 C | 29 H | 120.29 16 C | 17 C | 29 H | 119.20 14 C | 18 C | 15 C | 120.51 14 C | 18 C | 30 H | 120.29 15 C | 18 C | 30 H | 119.20 ------------------------------------------------------------------------------ number of included internuclear angles: 54 ==============================================================================