============================================================================== internuclear distances ------------------------------------------------------------------------------ center one | center two | atomic units | angstroms ------------------------------------------------------------------------------ 2 C | 1 C | 2.76002 | 1.46054 3 C | 1 C | 2.65584 | 1.40541 4 C | 2 C | 2.65584 | 1.40541 5 C | 2 C | 2.65584 | 1.40541 6 C | 1 C | 2.65584 | 1.40541 7 C | 3 C | 2.65910 | 1.40713 8 C | 4 C | 2.65910 | 1.40713 9 C | 5 C | 2.65910 | 1.40713 9 C | 7 C | 2.75440 | 1.45757 10 C | 6 C | 2.65910 | 1.40713 10 C | 8 C | 2.75440 | 1.45757 11 C | 7 C | 2.65940 | 1.40729 12 C | 8 C | 2.65940 | 1.40729 13 C | 9 C | 2.65940 | 1.40729 14 C | 10 C | 2.65940 | 1.40729 15 C | 11 C | 2.64812 | 1.40133 16 C | 12 C | 2.64812 | 1.40133 17 C | 13 C | 2.64812 | 1.40133 17 C | 15 C | 2.74149 | 1.45073 18 C | 14 C | 2.64812 | 1.40133 18 C | 16 C | 2.74149 | 1.45073 19 C | 15 C | 2.69667 | 1.42701 20 C | 16 C | 2.69667 | 1.42701 21 C | 17 C | 2.69667 | 1.42701 22 C | 18 C | 2.69667 | 1.42701 23 C | 19 C | 2.59844 | 1.37504 24 C | 20 C | 2.59844 | 1.37504 25 C | 21 C | 2.59844 | 1.37504 25 C | 23 C | 2.69213 | 1.42462 26 C | 22 C | 2.59844 | 1.37504 26 C | 24 C | 2.69213 | 1.42462 27 H | 3 C | 2.05572 | 1.08784 28 H | 4 C | 2.05572 | 1.08784 29 H | 5 C | 2.05572 | 1.08784 30 H | 6 C | 2.05572 | 1.08784 31 H | 11 C | 2.05555 | 1.08775 32 H | 12 C | 2.05555 | 1.08775 33 H | 13 C | 2.05555 | 1.08775 34 H | 14 C | 2.05555 | 1.08775 35 H | 19 C | 2.05387 | 1.08686 36 H | 20 C | 2.05387 | 1.08686 37 H | 21 C | 2.05387 | 1.08686 38 H | 22 C | 2.05387 | 1.08686 39 H | 23 C | 2.05240 | 1.08608 40 H | 24 C | 2.05240 | 1.08608 41 H | 25 C | 2.05240 | 1.08608 42 H | 26 C | 2.05240 | 1.08608 ------------------------------------------------------------------------------ number of included internuclear distances: 47 ============================================================================== internuclear angles ------------------------------------------------------------------------------ center 1 | center 2 | center 3 | degrees ------------------------------------------------------------------------------ 2 C | 1 C | 3 C | 119.06 2 C | 1 C | 6 C | 119.06 3 C | 1 C | 6 C | 121.89 1 C | 2 C | 4 C | 119.06 1 C | 2 C | 5 C | 119.06 4 C | 2 C | 5 C | 121.89 1 C | 3 C | 7 C | 121.86 1 C | 3 C | 27 H | 119.10 7 C | 3 C | 27 H | 119.04 2 C | 4 C | 8 C | 121.86 2 C | 4 C | 28 H | 119.10 8 C | 4 C | 28 H | 119.04 2 C | 5 C | 9 C | 121.86 2 C | 5 C | 29 H | 119.10 9 C | 5 C | 29 H | 119.04 1 C | 6 C | 10 C | 121.86 1 C | 6 C | 30 H | 119.10 10 C | 6 C | 30 H | 119.04 3 C | 7 C | 9 C | 119.09 3 C | 7 C | 11 C | 121.92 9 C | 7 C | 11 C | 118.99 4 C | 8 C | 10 C | 119.09 4 C | 8 C | 12 C | 121.92 10 C | 8 C | 12 C | 118.99 5 C | 9 C | 7 C | 119.09 5 C | 9 C | 13 C | 121.92 7 C | 9 C | 13 C | 118.99 6 C | 10 C | 8 C | 119.09 6 C | 10 C | 14 C | 121.92 8 C | 10 C | 14 C | 118.99 7 C | 11 C | 15 C | 121.72 7 C | 11 C | 31 H | 119.10 15 C | 11 C | 31 H | 119.18 8 C | 12 C | 16 C | 121.72 8 C | 12 C | 32 H | 119.10 16 C | 12 C | 32 H | 119.18 9 C | 13 C | 17 C | 121.72 9 C | 13 C | 33 H | 119.10 17 C | 13 C | 33 H | 119.18 10 C | 14 C | 18 C | 121.72 10 C | 14 C | 34 H | 119.10 18 C | 14 C | 34 H | 119.18 11 C | 15 C | 17 C | 119.29 11 C | 15 C | 19 C | 121.92 17 C | 15 C | 19 C | 118.79 12 C | 16 C | 18 C | 119.29 12 C | 16 C | 20 C | 121.92 18 C | 16 C | 20 C | 118.79 13 C | 17 C | 15 C | 119.29 13 C | 17 C | 21 C | 121.92 15 C | 17 C | 21 C | 118.79 14 C | 18 C | 16 C | 119.29 14 C | 18 C | 22 C | 121.92 16 C | 18 C | 22 C | 118.79 15 C | 19 C | 23 C | 120.59 15 C | 19 C | 35 H | 118.89 23 C | 19 C | 35 H | 120.52 16 C | 20 C | 24 C | 120.59 16 C | 20 C | 36 H | 118.89 24 C | 20 C | 36 H | 120.52 17 C | 21 C | 25 C | 120.59 17 C | 21 C | 37 H | 118.89 25 C | 21 C | 37 H | 120.52 18 C | 22 C | 26 C | 120.59 18 C | 22 C | 38 H | 118.89 26 C | 22 C | 38 H | 120.52 19 C | 23 C | 25 C | 120.62 19 C | 23 C | 39 H | 120.02 25 C | 23 C | 39 H | 119.36 20 C | 24 C | 26 C | 120.62 20 C | 24 C | 40 H | 120.02 26 C | 24 C | 40 H | 119.36 21 C | 25 C | 23 C | 120.62 21 C | 25 C | 41 H | 120.02 23 C | 25 C | 41 H | 119.36 22 C | 26 C | 24 C | 120.62 22 C | 26 C | 42 H | 120.02 24 C | 26 C | 42 H | 119.36 ------------------------------------------------------------------------------ number of included internuclear angles: 78 ==============================================================================