Back to Features of PM6
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REF: D. R. Lide, D. Christensen, J. Chem. Phys., 35, 1374 (1961).
SYMMETRY Propane <C-C> <C-C-C> <C2-H> <H-C2-C1> < > < > <C1-H> <H-C1-C2> GR=LC1961 C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0.0000 C 1.52600000 +1 0.0000000 +0 0.0000000 +0 1 0 0 0.0000 C 1.52759743 +0 112.4000000 +1 0.0000000 +0 1 2 0 0.0000 H 1.11452900 +1 109.4526930 +1 -122.1274915 +1 1 2 3 0.0000 H 1.10869117 +0 109.6349258 +0 122.1114249 +1 1 2 3 0.0000 H 1.09589800 +1 111.8000000 +1 180.0000000 +0 2 1 3 0.0000 H 1.09513707 +0 111.3373508 +0 180.0000000 +0 3 1 2 0.0000 H 1.09603120 +1 111.4543991 +1 -59.9083477 +1 2 1 3 0.0000 H 1.09603120 +0 111.4543991 +0 59.9082200 +1 2 1 3 0.0000 H 1.09603120 +0 111.4543991 +0 59.9082200 +0 3 1 2 0.0000 H 1.09603120 +0 111.4543991 +0 -59.9083477 +0 3 1 2 0.0000