PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
bclf2r
2419 BClF2 (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
BClF2
<B-F> <B-Cl> <> <> <F-B-F> GR=HLKS1979
B 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
F 1.31500000 +1 0.0000000 +0 0.0000000 +0 1 0 0
Cl 1.72800000 +1 121.7386934 +1 0.0000000 +0 1 2 0
F 1.30826771 +1 118.1000000 +1 -179.9998028 +1 1 2 3