============================================================================== internuclear distances ------------------------------------------------------------------------------ center one | center two | atomic units | angstroms ------------------------------------------------------------------------------ 2 C | 1 C | 2.76182 | 1.46149 3 C | 1 C | 2.66167 | 1.40850 4 C | 2 C | 2.66167 | 1.40850 5 C | 2 C | 2.66167 | 1.40850 6 C | 1 C | 2.66167 | 1.40850 7 C | 3 C | 2.64518 | 1.39977 8 C | 4 C | 2.64518 | 1.39977 9 C | 5 C | 2.64518 | 1.39977 9 C | 7 C | 2.75957 | 1.46030 10 C | 6 C | 2.64518 | 1.39977 10 C | 8 C | 2.75957 | 1.46030 11 C | 7 C | 2.68085 | 1.41864 12 C | 8 C | 2.68085 | 1.41864 13 C | 9 C | 2.68085 | 1.41864 14 C | 10 C | 2.68085 | 1.41864 15 C | 11 C | 2.62375 | 1.38843 16 C | 12 C | 2.62375 | 1.38843 17 C | 13 C | 2.62375 | 1.38843 17 C | 15 C | 2.75519 | 1.45799 18 C | 14 C | 2.62375 | 1.38843 18 C | 16 C | 2.75519 | 1.45799 19 C | 15 C | 2.71790 | 1.43825 20 C | 16 C | 2.71790 | 1.43825 21 C | 17 C | 2.71790 | 1.43825 22 C | 18 C | 2.71790 | 1.43825 23 C | 19 C | 2.58285 | 1.36679 24 C | 20 C | 2.58285 | 1.36679 25 C | 21 C | 2.58285 | 1.36679 25 C | 23 C | 2.71318 | 1.43575 26 C | 22 C | 2.58285 | 1.36679 26 C | 24 C | 2.71318 | 1.43575 27 H | 3 C | 2.05701 | 1.08852 28 H | 4 C | 2.05701 | 1.08852 29 H | 5 C | 2.05701 | 1.08852 30 H | 6 C | 2.05701 | 1.08852 31 H | 11 C | 2.05725 | 1.08865 32 H | 12 C | 2.05725 | 1.08865 33 H | 13 C | 2.05725 | 1.08865 34 H | 14 C | 2.05725 | 1.08865 35 H | 19 C | 2.05586 | 1.08791 36 H | 20 C | 2.05586 | 1.08791 37 H | 21 C | 2.05586 | 1.08791 38 H | 22 C | 2.05586 | 1.08791 39 H | 23 C | 2.05407 | 1.08697 40 H | 24 C | 2.05407 | 1.08697 41 H | 25 C | 2.05407 | 1.08697 42 H | 26 C | 2.05407 | 1.08697 ------------------------------------------------------------------------------ number of included internuclear distances: 47 ============================================================================== internuclear angles ------------------------------------------------------------------------------ center 1 | center 2 | center 3 | degrees ------------------------------------------------------------------------------ 2 C | 1 C | 3 C | 118.87 2 C | 1 C | 6 C | 118.87 3 C | 1 C | 6 C | 122.26 1 C | 2 C | 4 C | 118.87 1 C | 2 C | 5 C | 118.87 4 C | 2 C | 5 C | 122.26 1 C | 3 C | 7 C | 122.04 1 C | 3 C | 27 H | 118.88 7 C | 3 C | 27 H | 119.08 2 C | 4 C | 8 C | 122.04 2 C | 4 C | 28 H | 118.88 8 C | 4 C | 28 H | 119.08 2 C | 5 C | 9 C | 122.04 2 C | 5 C | 29 H | 118.88 9 C | 5 C | 29 H | 119.08 1 C | 6 C | 10 C | 122.04 1 C | 6 C | 30 H | 118.88 10 C | 6 C | 30 H | 119.08 3 C | 7 C | 9 C | 119.09 3 C | 7 C | 11 C | 122.28 9 C | 7 C | 11 C | 118.63 4 C | 8 C | 10 C | 119.09 4 C | 8 C | 12 C | 122.28 10 C | 8 C | 12 C | 118.63 5 C | 9 C | 7 C | 119.09 5 C | 9 C | 13 C | 122.28 7 C | 9 C | 13 C | 118.63 6 C | 10 C | 8 C | 119.09 6 C | 10 C | 14 C | 122.28 8 C | 10 C | 14 C | 118.63 7 C | 11 C | 15 C | 122.01 7 C | 11 C | 31 H | 118.64 15 C | 11 C | 31 H | 119.36 8 C | 12 C | 16 C | 122.01 8 C | 12 C | 32 H | 118.64 16 C | 12 C | 32 H | 119.36 9 C | 13 C | 17 C | 122.01 9 C | 13 C | 33 H | 118.64 17 C | 13 C | 33 H | 119.36 10 C | 14 C | 18 C | 122.01 10 C | 14 C | 34 H | 118.64 18 C | 14 C | 34 H | 119.36 11 C | 15 C | 17 C | 119.37 11 C | 15 C | 19 C | 122.27 17 C | 15 C | 19 C | 118.37 12 C | 16 C | 18 C | 119.37 12 C | 16 C | 20 C | 122.27 18 C | 16 C | 20 C | 118.37 13 C | 17 C | 15 C | 119.37 13 C | 17 C | 21 C | 122.27 15 C | 17 C | 21 C | 118.37 14 C | 18 C | 16 C | 119.37 14 C | 18 C | 22 C | 122.27 16 C | 18 C | 22 C | 118.37 15 C | 19 C | 23 C | 121.09 15 C | 19 C | 35 H | 118.33 23 C | 19 C | 35 H | 120.58 16 C | 20 C | 24 C | 121.09 16 C | 20 C | 36 H | 118.33 24 C | 20 C | 36 H | 120.58 17 C | 21 C | 25 C | 121.09 17 C | 21 C | 37 H | 118.33 25 C | 21 C | 37 H | 120.58 18 C | 22 C | 26 C | 121.09 18 C | 22 C | 38 H | 118.33 26 C | 22 C | 38 H | 120.58 19 C | 23 C | 25 C | 120.54 19 C | 23 C | 39 H | 120.19 25 C | 23 C | 39 H | 119.27 20 C | 24 C | 26 C | 120.54 20 C | 24 C | 40 H | 120.19 26 C | 24 C | 40 H | 119.27 21 C | 25 C | 23 C | 120.54 21 C | 25 C | 41 H | 120.19 23 C | 25 C | 41 H | 119.27 22 C | 26 C | 24 C | 120.54 22 C | 26 C | 42 H | 120.19 24 C | 26 C | 42 H | 119.27 ------------------------------------------------------------------------------ number of included internuclear angles: 78 ==============================================================================