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

phosphorus oxyfluoride   2024 Phosphorus oxyfluoride

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    #  Species Formula
  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 oxyfluoride OF3P
  2025 Phosphous oxyfluoride (Geo)OF3P
  2026 Phosphorus tetrafluorideF4P
  2027 Phosphorus tetrafluoride, anionF4P
  2028 Phosphorus pentafluoride (Geo)F5P
  2029 Phosphorus pentafluorideF5P
  2030 Phosphorus hexafluoride, anionF6P
  2031 Phosphorus dimer (Geo)P2
  2032 Phosphorus, dimerP2
  2033 P2H4H4P2
  2034 Pyrophosphoric acid (Geo)H4O7P2


ΔHf: -289.5 kcal/mol,     REF: D. D. Wagman, W. H. Evans, V. B. Parker, R. H. Schumm, I. Halow, S. M. Bailey, K. L. Churney, R. L. Nuttall, J. Phys. Chem. Ref. Data Suppl. 11, 2 (1982).
Dipole: 1.8 Debye,     REF: R. D. Nelson, D. R. Lide, A. A. Maryott, Nat. Stand. Ref. Data Set., Natl. Bur. Stand. No. 10 (1967).
I.P.: 12.8 eV,     REF: R. D. Levin, S. G. Lias, "Ionization Potentials and Appearance Potential Measurements," 1971-1981, Natl. Stand. Ref. Data Ser., Natl. Bur. Stand. 71, (1982), Cat. No. C13.48:71.
  
 SYMMETRY PM7
Phosphorus oxyfluoride
 H=-289.5 HR=WEPS1982 D=1.76 I=12.77 IR=LLNBS82 DR=NLM1967 S=68.21 CP=16.44
  F     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  P     1.52623526 +1    0.0000000 +0    0.0000000 +0     1     0     0
  F     1.52623526 +0   99.3601394 +1    0.0000000 +0     2     1     0
  F     1.52623526 +0   99.3601394 +0  101.2208530 +1     2     1     3
  O     1.43086584 +1  118.4745120 +1 -129.4925057 +1     2     1     3