PM7 Accuracy

phosphorus trifluoride   2021 Phosphorus trifluoride

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    #  Species Formula
  2011 (C2H4)(PO4H2)-OHC2H7O5P
  2012 (C2H4)(PO4H)-OMe, anionC3H8O5P
  2013 Phosphorus monofluoride (triplet)FP
  2014 CH2=P-FCH2FP
  2015 CH2=P-F (Geo)CH2FP
  2016 FPOOFP
  2017 Phosphorus difluorideF2P
  2018 OPF2OF2P
  2019 MethylphosphonodifluorideCH3OF2P
  2020 Phosphorus trifluoride (Geo)F3P
  2021 Phosphorus trifluoride F3P
  2022 PH3-BF3 (Geo)H3BF3P
  2023 PF3-BH3 (Geo)H3BF3P
  2024 Phosphorus trifluoride-BoraneH3BF3P
  2025 Trimethylphosphine-Boron trifluorideH9BC3F3P
  2026 Phosphorus oxyfluorideOF3P
  2027 Phosphous oxyfluoride (Geo)OF3P
  2028 Phosphorus tetrafluorideF4P
  2029 Phosphorus tetrafluoride, anionF4P
  2030 Phosphorus pentafluoride (Geo)F5P
  2031 Phosphorus pentafluorideF5P


DHf: -229.0 kcal/mol,     REF: M. W. Chase, C. A. Davies, J. R. Downey, D. R. Frurip, R. A. McDonald, A. N. Syverud, JANAF Thermochemical Tables, Third Edition, J. Phys. Chem. Ref. Data 14, Suppl. 1 (1985).
Dipole: 1.0 Debye,     REF: R. D. Nelson, D. R. Lide, A. A. Maryott, Nat. Stand. Ref. Data Set., Natl. Bur. Stand. No. 10 (1967).
I.P.: 9.7 eV,     REF: "CRC Handbook of Chemistry and Physics," 60th Edition, R. C. Weast, (Ed.), CRC Press, Boca Raton, FL, 1980.
  
 SYMMETRY PM7
Phosphorus trifluoride
 H=-229.0 HR=JANAF86 D=1.03 I=9.71 IR=CRC DR=NLM1967 S=65.27 CP=14.02
  F     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  P     1.57384622  1    0.0000000  0    0.0000000  0     1     0     0
  F     1.57384622  0   96.5697930  1    0.0000000  0     2     1     0
  F     1.57384622  0   96.5697930  0  -97.4401340  1     2     1     3
 
   2  1    7    8
   3  2    7    8
   4  1    5
   4  2    5