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

cf3ir   5860 Trifluoroiodomethane (Geo)

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    #  Species Formula
  5850 Nitrosyl iodideNOI
  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 TrifluoroiodomethaneCF3I
  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


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
Trifluoroiodomethane
 GWT=0.5 GR=JANAF86 <C-I> <C-F> <F-C-I>
  I     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     2.13000000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  F     1.33200000 +1  110.6200000 +1    0.0000000 +0     2     1     0
  F     1.33200000 +1  110.6200000 +1  120.0000000 +1     2     1     3
  F     1.33200000 +1  110.6200000 +1 -120.0000000 +1     2     1     3