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

trifluoroiodomethane   5861 Trifluoroiodomethane

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    #  Species Formula
  5851 2-Iodobenzoic acidC7H5O2I
  5852 3-Iodobenzoic acidC7H5O2I
  5853 4-Iodobenzoic acidC7H5O2I
  5854 Li(I)O4I (HARCEI) (Geo)H20LiC8O4I
  5855 Li(I)O4I (HARCEI)H20LiC8O4I
  5856 Li(+)(H2O)5.IH10LiO5I
  5857 Li(+)(H2O)5.I (Geo)H10LiO5I
  5858 Iodine fluoride (Geo)FI
  5859 Iodine fluorideFI
  5860 Trifluoroiodomethane (Geo)CF3I
  5861 Trifluoroiodomethane CF3I
  5862 1,1,1-Trifluoro-2-iodoethaneC2H2F3I
  5863 Iodine pentafluoride (Geo)F5I
  5864 Iodine pentafluorideF5I
  5865 PentafluoroiodobenzeneC6F5I
  5866 Iodine heptafluoride (Geo)F7I
  5867 Iodine heptafluorideF7I
  5868 Sodium iodide, cationNaI
  5869 Sodium iodide (Geo)NaI
  5870 Sodium iodideNaI
  5871 Aluminum iodideAlI


ΔHf: -140.5 kcal/mol,     REF: J. B. Pedley, B. S. Iseard, "CATCH Tables of Silicon Compounds," University of Sussex, 1972
Dipole: 1.0 Debye,     REF: K. H. Hellwege, A. M. Hellwege, Eds. "Molecular Constants from Microwave Spectroscopy," Landolt-Bornstein, New Series II; Springer-Verlag; Berlin, Vol. 4, (1967).
I.P.: 10.4 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
Trifluoroiodomethane
 H=-140.49 HR=CATCH I=10.45 IR=LLNBS82 D=1.0 DR=HH1967 S=73.47 CP=16.95
  I     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     2.18189163 +1    0.0000000 +0    0.0000000 +0     1     0     0
  F     1.32507030 +1  112.5256741 +1    0.0000000 +0     2     1     0
  F     1.32507030 +1  112.5256741 +1  120.0000000 +1     2     1     3
  F     1.32507030 +1  112.5256741 +1 -120.0000000 +1     2     1     3