PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
brhccor
4136 Bromoketene (Geo)
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REF: N. P. C. Westwood, W. Lewis-Bevan, M. C. L. Gerry, J. Mol. Spectr., 136, 93 (1989).
PM7
Bromoketene
<C-Br> <C-H> <H-C-Br> <C=C> <Br-C=C> <C=O> GR=WLBG1989
Br 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
C 1.88000000 +1 0.0000000 +0 0.0000000 +0 1 0 0
H 1.08200000 +1 124.4500000 +1 0.0000000 +0 2 1 0
C 1.31600000 +1 118.4500000 +1 179.9000000 +0 2 1 3
O 1.16100000 +1 180.0000000 +0 0.0000000 +0 4 2 1