PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
ch3bsr
2065 CH3-B=S (Geo)
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REF: J. H. Callomon, E. Hirota, T. Iijima, K. Kuchitsu, W. J. Lafferty, "Structure Data on Free Polyatomic Molecules," Landolt-Bornstein, New Series, Group II, Vol. 15, Springer, Berlin (1977).
SYMMETRY PM7
CH3-B=S
<B-C> <C-H> <H-C-B> <B=S> GR=CHIK1986
B 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.53520000 +1 0.0000000 +0 0.0000000 +0 1 0 0
H 1.10920000 +1 110.2980000 +1 0.0000000 +0 2 1 0
H 1.10920000 +0 110.2980000 +0 120.0000000 +0 2 1 3
H 1.10920000 +0 110.2980000 +0 -120.0000000 +0 2 1 3
S 1.60280000 +1 180.0000000 +0 180.0000000 +0 1 2 3