PM7 Accuracy
Date:Mon Feb 11 04:20:05 2019
bf3oh, anion r
1600 BF3OH, anion (Geo)
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REF: Estimated from DGauss results of DFT calculations, using the B88-PW91 functional and the DZVP basis set, in CAChe 6.0, Fujitsu Ltd, 2003.
CHARGE=-1 PM7
BF3OH, anion
<B-F> <> <F-B-F> <><><> <B-O><><> <O-H><B-O-H> GR=PW91D
B 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0
F 1.44938900 +1 0.0000000 +0 0.0000000 +0 1 0 0
F 1.38049662 +1 106.4515370 +1 0.0000000 +0 1 2 0
F 1.36821853 +1 108.3210476 +1 117.5785444 +1 1 2 3
O 1.46615900 +1 109.8741020 +1 120.5154343 +1 1 2 4
H 0.97509200 +1 104.8811210 +1 58.7751848 +1 5 1 2