PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
ch3ir
5821 Iodomethane (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
Iodomethane
GR=CHKL1976 < > <C-H> < > <C-I> < > < > <H-C-H>
H 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
H 1.78401179 +1 0.0000000 +0 0.0000000 +0 1 0 0
C 1.08400000 +1 35.1382250 +1 0.0000000 +0 2 1 0
I 2.13200000 +1 108.9800442 +1 -119.2455197 +1 3 2 1
H 1.08400000 +0 111.2000000 +1 121.2792556 +1 3 2 1