============================================================================== internuclear distances ------------------------------------------------------------------------------ center one | center two | atomic units | angstroms ------------------------------------------------------------------------------ 2 C | 1 C | 2.75780 | 1.45936 3 C | 1 C | 2.65479 | 1.40485 4 C | 2 C | 2.65479 | 1.40485 5 C | 2 C | 2.65479 | 1.40485 6 C | 1 C | 2.65479 | 1.40485 7 C | 3 C | 2.66168 | 1.40850 8 C | 4 C | 2.66168 | 1.40850 9 C | 5 C | 2.66168 | 1.40850 9 C | 7 C | 2.75367 | 1.45718 10 C | 6 C | 2.66168 | 1.40850 10 C | 8 C | 2.75367 | 1.45718 11 C | 7 C | 2.65229 | 1.40353 12 C | 8 C | 2.65229 | 1.40353 13 C | 9 C | 2.65229 | 1.40353 14 C | 10 C | 2.65229 | 1.40353 15 C | 11 C | 2.66334 | 1.40938 16 C | 12 C | 2.66334 | 1.40938 17 C | 13 C | 2.66334 | 1.40938 17 C | 15 C | 2.73848 | 1.44914 18 C | 14 C | 2.66334 | 1.40938 18 C | 16 C | 2.73848 | 1.44914 19 C | 15 C | 2.67852 | 1.41741 20 C | 16 C | 2.67852 | 1.41741 21 C | 17 C | 2.67852 | 1.41741 22 C | 18 C | 2.67852 | 1.41741 23 C | 19 C | 2.62130 | 1.38713 24 C | 20 C | 2.62130 | 1.38713 25 C | 21 C | 2.62130 | 1.38713 25 C | 23 C | 2.67150 | 1.41370 26 C | 22 C | 2.62130 | 1.38713 26 C | 24 C | 2.67150 | 1.41370 27 H | 3 C | 2.05592 | 1.08795 28 H | 4 C | 2.05592 | 1.08795 29 H | 5 C | 2.05592 | 1.08795 30 H | 6 C | 2.05592 | 1.08795 31 H | 11 C | 2.05546 | 1.08770 32 H | 12 C | 2.05546 | 1.08770 33 H | 13 C | 2.05546 | 1.08770 34 H | 14 C | 2.05546 | 1.08770 35 H | 19 C | 2.05325 | 1.08653 36 H | 20 C | 2.05325 | 1.08653 37 H | 21 C | 2.05325 | 1.08653 38 H | 22 C | 2.05325 | 1.08653 39 H | 23 C | 2.05200 | 1.08587 40 H | 24 C | 2.05200 | 1.08587 41 H | 25 C | 2.05200 | 1.08587 42 H | 26 C | 2.05200 | 1.08587 ------------------------------------------------------------------------------ number of included internuclear distances: 47 ============================================================================== internuclear angles ------------------------------------------------------------------------------ center 1 | center 2 | center 3 | degrees ------------------------------------------------------------------------------ 2 C | 1 C | 3 C | 119.21 2 C | 1 C | 6 C | 119.21 3 C | 1 C | 6 C | 121.58 1 C | 2 C | 4 C | 119.21 1 C | 2 C | 5 C | 119.21 4 C | 2 C | 5 C | 121.58 1 C | 3 C | 7 C | 121.61 1 C | 3 C | 27 H | 119.26 7 C | 3 C | 27 H | 119.13 2 C | 4 C | 8 C | 121.61 2 C | 4 C | 28 H | 119.26 8 C | 4 C | 28 H | 119.13 2 C | 5 C | 9 C | 121.61 2 C | 5 C | 29 H | 119.26 9 C | 5 C | 29 H | 119.13 1 C | 6 C | 10 C | 121.61 1 C | 6 C | 30 H | 119.26 10 C | 6 C | 30 H | 119.13 3 C | 7 C | 9 C | 119.18 3 C | 7 C | 11 C | 121.62 9 C | 7 C | 11 C | 119.20 4 C | 8 C | 10 C | 119.18 4 C | 8 C | 12 C | 121.62 10 C | 8 C | 12 C | 119.20 5 C | 9 C | 7 C | 119.18 5 C | 9 C | 13 C | 121.62 7 C | 9 C | 13 C | 119.20 6 C | 10 C | 8 C | 119.18 6 C | 10 C | 14 C | 121.62 8 C | 10 C | 14 C | 119.20 7 C | 11 C | 15 C | 121.55 7 C | 11 C | 31 H | 119.37 15 C | 11 C | 31 H | 119.08 8 C | 12 C | 16 C | 121.55 8 C | 12 C | 32 H | 119.37 16 C | 12 C | 32 H | 119.08 9 C | 13 C | 17 C | 121.55 9 C | 13 C | 33 H | 119.37 17 C | 13 C | 33 H | 119.08 10 C | 14 C | 18 C | 121.55 10 C | 14 C | 34 H | 119.37 18 C | 14 C | 34 H | 119.08 11 C | 15 C | 17 C | 119.25 11 C | 15 C | 19 C | 121.67 17 C | 15 C | 19 C | 119.08 12 C | 16 C | 18 C | 119.25 12 C | 16 C | 20 C | 121.67 18 C | 16 C | 20 C | 119.08 13 C | 17 C | 15 C | 119.25 13 C | 17 C | 21 C | 121.67 15 C | 17 C | 21 C | 119.08 14 C | 18 C | 16 C | 119.25 14 C | 18 C | 22 C | 121.67 16 C | 18 C | 22 C | 119.08 15 C | 19 C | 23 C | 120.30 15 C | 19 C | 35 H | 119.44 23 C | 19 C | 35 H | 120.25 16 C | 20 C | 24 C | 120.30 16 C | 20 C | 36 H | 119.44 24 C | 20 C | 36 H | 120.25 17 C | 21 C | 25 C | 120.30 17 C | 21 C | 37 H | 119.44 25 C | 21 C | 37 H | 120.25 18 C | 22 C | 26 C | 120.30 18 C | 22 C | 38 H | 119.44 26 C | 22 C | 38 H | 120.25 19 C | 23 C | 25 C | 120.62 19 C | 23 C | 39 H | 119.84 25 C | 23 C | 39 H | 119.54 20 C | 24 C | 26 C | 120.62 20 C | 24 C | 40 H | 119.84 26 C | 24 C | 40 H | 119.54 21 C | 25 C | 23 C | 120.62 21 C | 25 C | 41 H | 119.84 23 C | 25 C | 41 H | 119.54 22 C | 26 C | 24 C | 120.62 22 C | 26 C | 42 H | 119.84 24 C | 26 C | 42 H | 119.54 ------------------------------------------------------------------------------ number of included internuclear angles: 78 ==============================================================================