PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
c2h6r
69 Ethane (Geo)
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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 PM7
Ethane
GR=HERZ1966 <C-C> <C-H> <H-C-C>
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.53600000 +1 0.0000000 +0 0.0000000 +0 1 0 0
H 1.09100000 +1 110.9000000 +1 0.0000000 +0 2 1 0
H 1.09100000 +1 110.9000000 +1 120.0000000 +1 2 1 3
H 1.09100000 +1 110.9000000 +1 -120.0000000 +1 2 1 3
H 1.09100000 +1 110.9000000 +1 60.0000000 +1 1 2 3
H 1.09100000 +1 110.9000000 +1 180.0000000 +1 1 2 3
H 1.09100000 +1 110.9000000 +1 -60.0000000 +1 1 2 3