PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
hgmebrr
7945 Methylmercuric bromide (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).
PM7
Methylmercuric bromide
<Hg-C> <Hg-Br> <C-H> <Hg-C-H> GR=CHIK1986
Hg 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 2.06200000 +1 0.0000000 +0 0.0000000 +0 1 0 0
Br 2.40500000 +1 180.0000000 +0 0.0000000 +0 1 2 0
H 1.09500000 +1 109.6000000 +1 0.0000000 +0 2 1 3
H 1.09762136 +1 111.8424118 +1 119.7547650 +1 2 1 4
H 1.09767715 +1 111.8449905 +1 120.3961492 +1 2 1 5