PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
bf2ohr
1570 F2BOH (Geo)
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REF: M. D. Harmony, V. W. Laurie, R. L. Kuczkowsky, R. H. Schwendeman, D. A. Ramsay, F. J. Lovas, W. J. Lafferty, A. G. Maki, J. Phys. Chem. Ref. Data 8, 3 (1979).
PM7
F2BOH
<B-F> <B-O> <F-B-O> <> <F-B-F> <> <O-H> <H-O-B> GR=HLKS1979
B 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
F 1.31000000 +1 0.0000000 +0 0.0000000 +0 1 0 0
O 1.34000000 +1 123.0000000 +1 0.0000000 +0 1 2 0
F 1.32631795 +1 118.0000000 +1 -179.9983775 +1 1 2 3
H 0.94000000 +1 114.0000000 +1 -179.9997991 +1 3 1 2