Accuracy

bf3ph3r   2018 PH3-BF3 (Geo)

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    #  Species Formula
  2008 (C2H4)(PO4H)-OMe, anionC3H8O5P
  2009 Phosphorus monofluoride (triplet)FP
  2010 CH2=P-FCH2FP
  2011 CH2=P-F (Geo)CH2FP
  2012 FPOOFP
  2013 Phosphorus difluorideF2P
  2014 OPF2OF2P
  2015 MethylphosphonodifluorideCH3OF2P
  2016 Phosphorus trifluoride (Geo)F3P
  2017 Phosphorus trifluorideF3P
  2018 PH3-BF3 (Geo) H3BF3P
  2019 PF3-BH3 (Geo)H3BF3P
  2020 Phosphorus trifluoride-BoraneH3BF3P
  2021 Trimethylphosphine-Boron trifluorideH9BC3F3P
  2022 Phosphorus oxyfluorideOF3P
  2023 Phosphous oxyfluoride (Geo)OF3P
  2024 Phosphorus tetrafluorideF4P
  2025 Phosphorus tetrafluoride, anionF4P
  2026 Phosphorus pentafluoride (Geo)F5P
  2027 Phosphorus pentafluorideF5P
  2028 Phosphorus hexafluoride, anionF6P


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.
  
 SYMMETRY PM7
PH3-BF3
 <P-B> <P-H> <> <H-P-H> GR=PW91D GWT=0.333
 
  P     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  B     2.30610900 +1    0.0000000 +0    0.0000000 +0     1     0     0
  F     1.36785600 +1  101.5186468 +1    0.0000000 +0     2     1     0
  F     1.36785600 +0  101.5186468 +0  120.0000000 +0     2     1     3
  F     1.36785600 +0  101.5186468 +0  120.0000000 +0     2     1     4
  H     1.42040700 +1  112.3431824 +1  180.0000000 +0     1     2     3
  H     1.42040700 +0  112.3431824 +0 -120.0000000 +0     1     2     6
  H     1.42040700 +0  112.3431824 +0 -120.0000000 +0     1     2     7
 
   3  1    4    5
   6  1    7    8
   3  2    4    5
   6  2    7    8