PM7 Accuracy

phosphorus pentafluoride   2031 Phosphorus pentafluoride

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    #  Species Formula
  2021 Phosphorus trifluorideF3P
  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 pentafluoride F5P
  2032 Phosphorus hexafluoride, anionF6P
  2033 Phosphorus dimer (Geo)P2
  2034 Phosphorus, dimerP2
  2035 P2H4H4P2
  2036 Pyrophosphoric acid (Geo)H4O7P2
  2037 Pyrophosphoric acid (Geo)H4O7P2
  2038 Pyrophosphoric acidH4O7P2
  2039 P2F4 (Geo)F4P2
  2040 Methyl triphosphate anionCH6O10P3
  2041 Methyl triphosphate (Geo)CH7O10P3


DHf: -381.1 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).
  
 SYMMETRY PM7
Phosphorus pentafluoride
 H=-381.1 HR=JANAF86
  P     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  F     1.55480043  1    0.0000000  0    0.0000000  0     1     0     0
  F     1.53600952  1   90.0000000  1    0.0000000  0     1     2     0
  F     1.55480043  1   90.0000000  1  180.0000000  1     1     3     2
  F     1.53600952  1  120.0000000  1   90.0000000  1     1     3     2
  F     1.53600952  1  120.0000000  1  -90.0000000  1     1     3     2
 
   2  1    4
   3  1    5    6