Accuracy

phosphorus oxyfluoride   2022 Phosphorus oxyfluoride

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    #  Species Formula
  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 oxyfluoride OF3P
  2023 Phosphous oxyfluoride (Geo)OF3P
  2024 Phosphorus tetrafluorideF4P
  2025 Phosphorus tetrafluoride, anionF4P
  2026 Phosphorus pentafluoride (Geo)F5P
  2027 Phosphorus pentafluorideF5P
  2028 Phosphorus hexafluoride, anionF6P
  2029 Phosphorus dimer (Geo)P2
  2030 Phosphorus, dimerP2
  2031 P2H4 (ref)H4P2
  2032 P2H4H4P2


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
 
   2  1    3    4
   3  2    4