============================================================================== internuclear distances ------------------------------------------------------------------------------ center one | center two | atomic units | angstroms ------------------------------------------------------------------------------ 2 C | 1 C | 2.77370 | 1.46778 3 C | 1 C | 2.66173 | 1.40853 4 C | 2 C | 2.66173 | 1.40853 5 C | 2 C | 2.66173 | 1.40853 6 C | 1 C | 2.66173 | 1.40853 7 C | 3 C | 2.66305 | 1.40923 8 C | 4 C | 2.66305 | 1.40923 9 C | 5 C | 2.66305 | 1.40923 9 C | 7 C | 2.76533 | 1.46335 10 C | 6 C | 2.66305 | 1.40923 10 C | 8 C | 2.76533 | 1.46335 11 C | 7 C | 2.66614 | 1.41086 12 C | 8 C | 2.66614 | 1.41086 13 C | 9 C | 2.66614 | 1.41086 14 C | 10 C | 2.66614 | 1.41086 15 C | 11 C | 2.65066 | 1.40267 16 C | 12 C | 2.65066 | 1.40267 17 C | 13 C | 2.65066 | 1.40267 17 C | 15 C | 2.74481 | 1.45249 18 C | 14 C | 2.65066 | 1.40267 18 C | 16 C | 2.74481 | 1.45249 19 C | 15 C | 2.70080 | 1.42920 20 C | 16 C | 2.70080 | 1.42920 21 C | 17 C | 2.70080 | 1.42920 22 C | 18 C | 2.70080 | 1.42920 23 C | 19 C | 2.60491 | 1.37846 24 C | 20 C | 2.60491 | 1.37846 25 C | 21 C | 2.60491 | 1.37846 25 C | 23 C | 2.69237 | 1.42474 26 C | 22 C | 2.60491 | 1.37846 26 C | 24 C | 2.69237 | 1.42474 27 H | 3 C | 2.05991 | 1.09006 28 H | 4 C | 2.05991 | 1.09006 29 H | 5 C | 2.05991 | 1.09006 30 H | 6 C | 2.05991 | 1.09006 31 H | 11 C | 2.06029 | 1.09026 32 H | 12 C | 2.06029 | 1.09026 33 H | 13 C | 2.06029 | 1.09026 34 H | 14 C | 2.06029 | 1.09026 35 H | 19 C | 2.05899 | 1.08957 36 H | 20 C | 2.05899 | 1.08957 37 H | 21 C | 2.05899 | 1.08957 38 H | 22 C | 2.05899 | 1.08957 39 H | 23 C | 2.05679 | 1.08841 40 H | 24 C | 2.05679 | 1.08841 41 H | 25 C | 2.05679 | 1.08841 42 H | 26 C | 2.05679 | 1.08841 ------------------------------------------------------------------------------ number of included internuclear distances: 47 ============================================================================== internuclear angles ------------------------------------------------------------------------------ center 1 | center 2 | center 3 | degrees ------------------------------------------------------------------------------ 2 C | 1 C | 3 C | 118.54 2 C | 1 C | 6 C | 118.54 3 C | 1 C | 6 C | 122.93 1 C | 2 C | 4 C | 118.54 1 C | 2 C | 5 C | 118.54 4 C | 2 C | 5 C | 122.93 1 C | 3 C | 7 C | 122.84 1 C | 3 C | 27 H | 118.57 7 C | 3 C | 27 H | 118.59 2 C | 4 C | 8 C | 122.84 2 C | 4 C | 28 H | 118.57 8 C | 4 C | 28 H | 118.59 2 C | 5 C | 9 C | 122.84 2 C | 5 C | 29 H | 118.57 9 C | 5 C | 29 H | 118.59 1 C | 6 C | 10 C | 122.84 1 C | 6 C | 30 H | 118.57 10 C | 6 C | 30 H | 118.59 3 C | 7 C | 9 C | 118.62 3 C | 7 C | 11 C | 122.90 9 C | 7 C | 11 C | 118.48 4 C | 8 C | 10 C | 118.62 4 C | 8 C | 12 C | 122.90 10 C | 8 C | 12 C | 118.48 5 C | 9 C | 7 C | 118.62 5 C | 9 C | 13 C | 122.90 7 C | 9 C | 13 C | 118.48 6 C | 10 C | 8 C | 118.62 6 C | 10 C | 14 C | 122.90 8 C | 10 C | 14 C | 118.48 7 C | 11 C | 15 C | 122.61 7 C | 11 C | 31 H | 118.54 15 C | 11 C | 31 H | 118.85 8 C | 12 C | 16 C | 122.61 8 C | 12 C | 32 H | 118.54 16 C | 12 C | 32 H | 118.85 9 C | 13 C | 17 C | 122.61 9 C | 13 C | 33 H | 118.54 17 C | 13 C | 33 H | 118.85 10 C | 14 C | 18 C | 122.61 10 C | 14 C | 34 H | 118.54 18 C | 14 C | 34 H | 118.85 11 C | 15 C | 17 C | 118.91 11 C | 15 C | 19 C | 122.79 17 C | 15 C | 19 C | 118.29 12 C | 16 C | 18 C | 118.91 12 C | 16 C | 20 C | 122.79 18 C | 16 C | 20 C | 118.29 13 C | 17 C | 15 C | 118.91 13 C | 17 C | 21 C | 122.79 15 C | 17 C | 21 C | 118.29 14 C | 18 C | 16 C | 118.91 14 C | 18 C | 22 C | 122.79 16 C | 18 C | 22 C | 118.29 15 C | 19 C | 23 C | 121.61 15 C | 19 C | 35 H | 118.23 23 C | 19 C | 35 H | 120.17 16 C | 20 C | 24 C | 121.61 16 C | 20 C | 36 H | 118.23 24 C | 20 C | 36 H | 120.17 17 C | 21 C | 25 C | 121.61 17 C | 21 C | 37 H | 118.23 25 C | 21 C | 37 H | 120.17 18 C | 22 C | 26 C | 121.61 18 C | 22 C | 38 H | 118.23 26 C | 22 C | 38 H | 120.17 19 C | 23 C | 25 C | 120.10 19 C | 23 C | 39 H | 120.16 25 C | 23 C | 39 H | 119.74 20 C | 24 C | 26 C | 120.10 20 C | 24 C | 40 H | 120.16 26 C | 24 C | 40 H | 119.74 21 C | 25 C | 23 C | 120.10 21 C | 25 C | 41 H | 120.16 23 C | 25 C | 41 H | 119.74 22 C | 26 C | 24 C | 120.10 22 C | 26 C | 42 H | 120.16 24 C | 26 C | 42 H | 119.74 ------------------------------------------------------------------------------ number of included internuclear angles: 78 ==============================================================================