Back to Features of PM6
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REF: E. Switkes, I. R. Epstein, J. A. Tossell, R. M. Stevens, W. N. Lipscomb, J. Am. Chem. Soc., 92, 3837 (1970).
SYMMETRY B5H11 <B1-B2><B1-B3><B2-B1-B3><B3-B1-B4><> <> <B2-H(b)> <H(b)-B2-B3> GR=SETS1970 B 0.00000000 +0 0.0000000 +0 0.0000000 +0 0.0000 B 1.85200000 +1 0.0000000 +0 0.0000000 +0 1 0 0 0.0000 B 1.72100000 +1 57.4100000 +1 0.0000000 +0 2 1 0 0.0000 B 1.72564152 +0 61.9700000 +1 -137.8962880 +1 2 3 1 0.0000 B 1.76252142 +0 60.4055461 +0 -137.8045122 +1 2 4 3 0.0000 H 1.31900000 +1 50.2300000 +1 163.5418882 +1 1 3 2 0.0000 H 1.44833320 +0 45.7347666 +0 -128.2793939 +1 5 4 3 0.0000 H 1.36003974 +1 47.9088007 +1 119.3974011 +1 3 4 5 0.0000 H 1.21284612 +1 130.3545978 +1 113.6827947 +1 2 3 4 0.0000 H 1.18874301 +1 112.5921835 +1 -105.1752923 +1 2 3 4 0.0000 H 1.21284612 +0 112.7852763 +1 142.1968812 +1 5 4 3 0.0000 H 1.18874301 +0 121.4271966 +1 -64.7961231 +1 5 4 3 0.0000 H 1.18578768 +1 122.4493338 +1 62.9499144 +1 1 3 4 0.0000 H 1.18578768 +0 112.2210139 +1 -142.5068123 +1 1 3 4 0.0000 H 1.18697164 +1 114.7314911 +1 -145.2048530 +1 3 4 5 0.0000 H 1.18733345 +1 114.7722624 +1 106.7626887 +1 4 3 2 0.0000