PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
geh3ncsr
3918 Germyl isothiocyanate (Geo)
(Previous)
(Back)
(Next)
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).
PM7
Germyl isothiocyanate
<Ge-H> <Ge-N> <H-Ge-N> <C-N> GR=CHIK1986 GWT=0.2
H 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
Ge 1.52000000 +1 0.0000000 +0 0.0000000 +0 1 0 0
N 1.81700000 +1 106.9000000 +1 0.0000000 +0 2 1 0
C 1.14400000 +1 179.4197337 +1 45.3306880 +1 3 2 1
S 1.59155118 +1 179.6690453 +1 -85.3369557 +1 4 3 1
H 1.51352605 +1 113.3254629 +1 120.0000000 +0 2 1 3
H 1.52232657 +1 111.0289575 +1 -113.9698056 +1 2 1 3