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REF: G. Herzberg, "Molecular Spectra and Molecular Structure III. Electronic Spectra and Electronic Structure of Polyatomic Molecules," Van Nostrand, New York, N.Y., 1966.
SYMMETRY Ethane GR=HERZ1966 <C-C> <C-H> <H-C-C> C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0.0000 C 1.53600000 +1 0.0000000 +0 0.0000000 +0 1 0 0 0.0000 H 1.09100000 +1 110.9000000 +1 0.0000000 +0 2 1 0 0.0000 H 1.09643941 +1 111.4940348 +1 120.0000000 +1 2 1 3 0.0000 H 1.09643941 +1 111.4940348 +1 -120.0000000 +1 2 1 3 0.0000 H 1.09643941 +1 111.4940348 +1 60.0000000 +1 1 2 3 0.0000 H 1.09643941 +1 111.4940348 +1 180.0000000 +1 1 2 3 0.0000 H 1.09643941 +1 111.4940348 +1 -60.0000000 +1 1 2 3 0.0000