Accuracy

bf3oh, anion r   1598 BF3OH, anion (Geo)

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    #  Species Formula
  1588 CF3CH2.C2H2F3
  1589 1,1,1-TrifluoroethaneC2H3F3
  1590 (Trifluoromethyl)-benzeneC7H5F3
  1591 TrifluoromethylbenzeneC7H5F3
  1592 Nitrogen trifluoride (Geo)NF3
  1593 Nitrogen trifluorideNF3
  1594 Trifluoroacetonitrile (Geo)C2NF3
  1595 TrifluoroacetonitrileC2NF3
  1596 TrifluoromethylisocyanideC2NF3
  1597 Trimethyamine-Boron trifluorideH9BC3NF3
  1598 BF3OH, anion (Geo) HBOF3
  1599 (CH3)2O-BF3H6BC2OF3
  1600 (CH3CH2)2O-BF3H10BC4OF3
  1601 F3NONOF3
  1602 Trifluoroacetic acidHC2O2F3
  1603 B3O3F3B3O3F3
  1604 Be(II)F4(2-) (KIPPEE) (Geo)BeF4
  1605 Be(II)F4(2-) (KIPPEE)BeF4
  1606 Fluoroboric acid anion (Geo)BF4
  1607 Fluoroboric acid anionBF4
  1608 B2F4 (Geo)B2F4


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