PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
ch3brr
4113 Bromomethane (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
Bromomethane
GR=CHKL1976 <C-Br> <C-H> <H-C-Br>
Br 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.93300000 +1 0.0000000 +0 0.0000000 +0 1 0 0
H 1.08600000 +1 107.7100000 +1 0.0000000 +0 2 1 0
H 1.08600000 +0 107.7100000 +0 120.0000000 +0 2 1 3
H 1.08600000 +0 107.7100000 +0 -120.0000000 +1 2 1 3