PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

bf3ph3r   2020 PH3-BF3 (Geo)

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    #  Species Formula
  2010 (C2H4)(PO4H)-OMe, anionC3H8O5P
  2011 Phosphorus monofluoride (triplet)FP
  2012 CH2=P-FCH2FP
  2013 CH2=P-F (Geo)CH2FP
  2014 FPOOFP
  2015 Phosphorus difluorideF2P
  2016 OPF2OF2P
  2017 MethylphosphonodifluorideCH3OF2P
  2018 Phosphorus trifluoride (Geo)F3P
  2019 Phosphorus trifluorideF3P
  2020 PH3-BF3 (Geo) H3BF3P
  2021 PF3-BH3 (Geo)H3BF3P
  2022 Phosphorus trifluoride-BoraneH3BF3P
  2023 Trimethylphosphine-Boron trifluorideH9BC3F3P
  2024 Phosphorus oxyfluorideOF3P
  2025 Phosphous oxyfluoride (Geo)OF3P
  2026 Phosphorus tetrafluorideF4P
  2027 Phosphorus tetrafluoride, anionF4P
  2028 Phosphorus pentafluoride (Geo)F5P
  2029 Phosphorus pentafluorideF5P
  2030 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