============================================================================== internuclear distances ------------------------------------------------------------------------------ center one | center two | atomic units | angstroms ------------------------------------------------------------------------------ 2 C | 1 C | 2.70508 | 1.43147 3 C | 1 C | 2.57965 | 1.36509 4 C | 3 C | 2.71182 | 1.43504 5 C | 4 C | 2.75036 | 1.45543 6 C | 2 C | 2.57965 | 1.36509 6 C | 5 C | 2.71182 | 1.43504 7 C | 4 C | 2.62354 | 1.38832 8 C | 7 C | 2.67149 | 1.41369 9 C | 8 C | 2.75392 | 1.45731 10 C | 5 C | 2.62354 | 1.38832 10 C | 9 C | 2.67149 | 1.41369 11 C | 8 C | 2.64824 | 1.40139 12 C | 9 C | 2.64824 | 1.40139 13 C | 12 C | 2.64824 | 1.40139 14 C | 11 C | 2.64824 | 1.40139 14 C | 13 C | 2.75392 | 1.45731 15 C | 13 C | 2.67149 | 1.41369 16 C | 14 C | 2.67149 | 1.41369 17 C | 15 C | 2.62354 | 1.38832 18 C | 16 C | 2.62354 | 1.38832 18 C | 17 C | 2.75036 | 1.45543 19 C | 17 C | 2.71182 | 1.43504 20 C | 18 C | 2.71182 | 1.43504 21 C | 19 C | 2.57965 | 1.36509 22 C | 20 C | 2.57965 | 1.36509 22 C | 21 C | 2.70508 | 1.43147 23 H | 1 C | 2.04776 | 1.08363 24 H | 2 C | 2.04776 | 1.08363 25 H | 3 C | 2.04988 | 1.08475 26 H | 6 C | 2.04988 | 1.08475 27 H | 7 C | 2.05131 | 1.08550 28 H | 10 C | 2.05131 | 1.08550 29 H | 11 C | 2.05111 | 1.08540 30 H | 12 C | 2.05111 | 1.08540 31 H | 15 C | 2.05131 | 1.08550 32 H | 16 C | 2.05131 | 1.08550 33 H | 19 C | 2.04988 | 1.08475 34 H | 20 C | 2.04988 | 1.08475 35 H | 21 C | 2.04776 | 1.08363 36 H | 22 C | 2.04776 | 1.08363 ------------------------------------------------------------------------------ number of included internuclear distances: 40 ============================================================================== internuclear angles ------------------------------------------------------------------------------ center 1 | center 2 | center 3 | degrees ------------------------------------------------------------------------------ 2 C | 1 C | 3 C | 120.54 2 C | 1 C | 23 H | 119.14 3 C | 1 C | 23 H | 120.32 1 C | 2 C | 6 C | 120.54 1 C | 2 C | 24 H | 119.14 6 C | 2 C | 24 H | 120.32 1 C | 3 C | 4 C | 121.10 1 C | 3 C | 25 H | 120.66 4 C | 3 C | 25 H | 118.24 3 C | 4 C | 5 C | 118.36 3 C | 4 C | 7 C | 122.34 5 C | 4 C | 7 C | 119.30 4 C | 5 C | 6 C | 118.36 4 C | 5 C | 10 C | 119.30 6 C | 5 C | 10 C | 122.34 2 C | 6 C | 5 C | 121.10 2 C | 6 C | 26 H | 120.66 5 C | 6 C | 26 H | 118.24 4 C | 7 C | 8 C | 122.02 4 C | 7 C | 27 H | 119.31 8 C | 7 C | 27 H | 118.66 7 C | 8 C | 9 C | 118.68 7 C | 8 C | 11 C | 122.35 9 C | 8 C | 11 C | 118.98 8 C | 9 C | 10 C | 118.68 8 C | 9 C | 12 C | 118.98 10 C | 9 C | 12 C | 122.35 5 C | 10 C | 9 C | 122.02 5 C | 10 C | 28 H | 119.31 9 C | 10 C | 28 H | 118.66 8 C | 11 C | 14 C | 122.05 8 C | 11 C | 29 H | 118.98 14 C | 11 C | 29 H | 118.98 9 C | 12 C | 13 C | 122.05 9 C | 12 C | 30 H | 118.98 13 C | 12 C | 30 H | 118.98 12 C | 13 C | 14 C | 118.98 12 C | 13 C | 15 C | 122.35 14 C | 13 C | 15 C | 118.68 11 C | 14 C | 13 C | 118.98 11 C | 14 C | 16 C | 122.35 13 C | 14 C | 16 C | 118.68 13 C | 15 C | 17 C | 122.02 13 C | 15 C | 31 H | 118.66 17 C | 15 C | 31 H | 119.31 14 C | 16 C | 18 C | 122.02 14 C | 16 C | 32 H | 118.66 18 C | 16 C | 32 H | 119.31 15 C | 17 C | 18 C | 119.30 15 C | 17 C | 19 C | 122.34 18 C | 17 C | 19 C | 118.36 16 C | 18 C | 17 C | 119.30 16 C | 18 C | 20 C | 122.34 17 C | 18 C | 20 C | 118.36 17 C | 19 C | 21 C | 121.10 17 C | 19 C | 33 H | 118.24 21 C | 19 C | 33 H | 120.66 18 C | 20 C | 22 C | 121.10 18 C | 20 C | 34 H | 118.24 22 C | 20 C | 34 H | 120.66 19 C | 21 C | 22 C | 120.54 19 C | 21 C | 35 H | 120.32 22 C | 21 C | 35 H | 119.14 20 C | 22 C | 21 C | 120.54 20 C | 22 C | 36 H | 120.32 21 C | 22 C | 36 H | 119.14 ------------------------------------------------------------------------------ number of included internuclear angles: 66 ==============================================================================