PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
me2sr
2072 Dimethyl thioether (Geo)
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REF: J. H. Callomon, E. Hirota, K. Kuchitsu, W. J. Lafferty, A. G. Maki, C. S. Pote, "Structure Data on Free Polyatomic Molecules," Landolt-Bornstein, New Series, Group II, Vol. 7, Springer, Berlin (1976).
SYMMETRY PM7
Dimethyl thioether
<C-S> <C-S-C> < > <H-C-S> < > <H'-C-S> GR=CHKL1976
C 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
S 1.80200000 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.80200000 +0 98.9000000 +1 0.0000000 +0 2 1 0
H 1.09911730 +1 106.6000000 +1 180.0000000 +0 1 2 3
H 1.09911730 +0 107.5638110 +0 180.0000000 +0 3 2 1
H 1.09749791 +1 106.6000000 +0 62.0320940 +1 1 2 3
H 1.09073842 +1 114.1849118 +1 -59.7859284 +1 1 2 3
H 1.09537696 +1 112.5794591 +1 61.3819337 +1 3 2 1
H 1.09529453 +1 112.6196628 +1 -61.3870680 +1 3 2 1