Back to Features of PM6
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REF: W. M. Stigliani, V. W. Laurie, J. C. Li, J. Chem. Phys., 62, 1890 (1975).
Cyclopropene GR=SLL1975 <C2-C3> <C1-C2> < > <C1-H> <H-C1-C2> C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0.0000 C 1.50900000 +1 0.0000000 +0 0.0000000 +0 1 0 0 0.0000 C 1.29600000 +1 64.2184026 +1 0.0000000 +0 1 2 0 0.0000 H 1.07200000 +1 149.9000000 +1 180.0000000 +0 3 1 2 0.0000 H 1.04641819 +1 142.3459863 +1 180.0000000 +0 1 2 3 0.0000 H 1.08702627 +1 120.6990435 +1 -106.7285934 +1 2 1 3 0.0000 H 1.08702623 +1 120.7132007 +1 106.7382735 +1 2 1 3 0.0000