============================================================================== internuclear distances ------------------------------------------------------------------------------ center one | center two | atomic units | angstroms ------------------------------------------------------------------------------ 2 C | 1 C | 2.73277 | 1.44612 3 C | 1 C | 2.67480 | 1.41544 4 C | 2 C | 2.67480 | 1.41544 5 C | 2 C | 2.67480 | 1.41544 6 C | 1 C | 2.67480 | 1.41544 7 C | 3 C | 2.64183 | 1.39799 8 C | 4 C | 2.64183 | 1.39799 9 C | 5 C | 2.64183 | 1.39799 9 C | 7 C | 2.74206 | 1.45103 10 C | 6 C | 2.64183 | 1.39799 10 C | 8 C | 2.74206 | 1.45103 11 C | 7 C | 2.68911 | 1.42302 12 C | 8 C | 2.68911 | 1.42302 13 C | 9 C | 2.68911 | 1.42302 14 C | 10 C | 2.68911 | 1.42302 15 C | 11 C | 2.64531 | 1.39984 16 C | 12 C | 2.64531 | 1.39984 17 C | 13 C | 2.64531 | 1.39984 17 C | 15 C | 2.74175 | 1.45087 18 C | 14 C | 2.64531 | 1.39984 18 C | 16 C | 2.74175 | 1.45087 19 C | 15 C | 2.68642 | 1.42159 20 C | 16 C | 2.68642 | 1.42159 21 C | 17 C | 2.68642 | 1.42159 22 C | 18 C | 2.68642 | 1.42159 23 C | 19 C | 2.62753 | 1.39043 24 C | 20 C | 2.62753 | 1.39043 25 C | 21 C | 2.62753 | 1.39043 25 C | 23 C | 2.66669 | 1.41115 26 C | 22 C | 2.62753 | 1.39043 26 C | 24 C | 2.66669 | 1.41115 27 H | 3 C | 2.05463 | 1.08727 28 H | 4 C | 2.05463 | 1.08727 29 H | 5 C | 2.05463 | 1.08727 30 H | 6 C | 2.05463 | 1.08727 31 H | 11 C | 2.05530 | 1.08762 32 H | 12 C | 2.05530 | 1.08762 33 H | 13 C | 2.05530 | 1.08762 34 H | 14 C | 2.05530 | 1.08762 35 H | 19 C | 2.05351 | 1.08667 36 H | 20 C | 2.05351 | 1.08667 37 H | 21 C | 2.05351 | 1.08667 38 H | 22 C | 2.05351 | 1.08667 39 H | 23 C | 2.05196 | 1.08585 40 H | 24 C | 2.05196 | 1.08585 41 H | 25 C | 2.05196 | 1.08585 42 H | 26 C | 2.05196 | 1.08585 ------------------------------------------------------------------------------ number of included internuclear distances: 47 ============================================================================== internuclear angles ------------------------------------------------------------------------------ center 1 | center 2 | center 3 | degrees ------------------------------------------------------------------------------ 2 C | 1 C | 3 C | 119.20 2 C | 1 C | 6 C | 119.20 3 C | 1 C | 6 C | 121.61 1 C | 2 C | 4 C | 119.20 1 C | 2 C | 5 C | 119.20 4 C | 2 C | 5 C | 121.61 1 C | 3 C | 7 C | 121.32 1 C | 3 C | 27 H | 119.14 7 C | 3 C | 27 H | 119.54 2 C | 4 C | 8 C | 121.32 2 C | 4 C | 28 H | 119.14 8 C | 4 C | 28 H | 119.54 2 C | 5 C | 9 C | 121.32 2 C | 5 C | 29 H | 119.14 9 C | 5 C | 29 H | 119.54 1 C | 6 C | 10 C | 121.32 1 C | 6 C | 30 H | 119.14 10 C | 6 C | 30 H | 119.54 3 C | 7 C | 9 C | 119.48 3 C | 7 C | 11 C | 121.66 9 C | 7 C | 11 C | 118.86 4 C | 8 C | 10 C | 119.48 4 C | 8 C | 12 C | 121.66 10 C | 8 C | 12 C | 118.86 5 C | 9 C | 7 C | 119.48 5 C | 9 C | 13 C | 121.66 7 C | 9 C | 13 C | 118.86 6 C | 10 C | 8 C | 119.48 6 C | 10 C | 14 C | 121.66 8 C | 10 C | 14 C | 118.86 7 C | 11 C | 15 C | 121.76 7 C | 11 C | 31 H | 118.92 15 C | 11 C | 31 H | 119.32 8 C | 12 C | 16 C | 121.76 8 C | 12 C | 32 H | 118.92 16 C | 12 C | 32 H | 119.32 9 C | 13 C | 17 C | 121.76 9 C | 13 C | 33 H | 118.92 17 C | 13 C | 33 H | 119.32 10 C | 14 C | 18 C | 121.76 10 C | 14 C | 34 H | 118.92 18 C | 14 C | 34 H | 119.32 11 C | 15 C | 17 C | 119.38 11 C | 15 C | 19 C | 121.72 17 C | 15 C | 19 C | 118.90 12 C | 16 C | 18 C | 119.38 12 C | 16 C | 20 C | 121.72 18 C | 16 C | 20 C | 118.90 13 C | 17 C | 15 C | 119.38 13 C | 17 C | 21 C | 121.72 15 C | 17 C | 21 C | 118.90 14 C | 18 C | 16 C | 119.38 14 C | 18 C | 22 C | 121.72 16 C | 18 C | 22 C | 118.90 15 C | 19 C | 23 C | 120.55 15 C | 19 C | 35 H | 119.34 23 C | 19 C | 35 H | 120.11 16 C | 20 C | 24 C | 120.55 16 C | 20 C | 36 H | 119.34 24 C | 20 C | 36 H | 120.11 17 C | 21 C | 25 C | 120.55 17 C | 21 C | 37 H | 119.34 25 C | 21 C | 37 H | 120.11 18 C | 22 C | 26 C | 120.55 18 C | 22 C | 38 H | 119.34 26 C | 22 C | 38 H | 120.11 19 C | 23 C | 25 C | 120.55 19 C | 23 C | 39 H | 119.79 25 C | 23 C | 39 H | 119.66 20 C | 24 C | 26 C | 120.55 20 C | 24 C | 40 H | 119.79 26 C | 24 C | 40 H | 119.66 21 C | 25 C | 23 C | 120.55 21 C | 25 C | 41 H | 119.79 23 C | 25 C | 41 H | 119.66 22 C | 26 C | 24 C | 120.55 22 C | 26 C | 42 H | 119.79 24 C | 26 C | 42 H | 119.66 ------------------------------------------------------------------------------ number of included internuclear angles: 78 ==============================================================================