Accuracy

1,1,1-trifluoro-2-iodoethane   5861 1,1,1-Trifluoro-2-iodoethane

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    #  Species Formula
  5851 3-Iodobenzoic acidC7H5O2I
  5852 4-Iodobenzoic acidC7H5O2I
  5853 Li(I)O4I (HARCEI) (Geo)H20LiC8O4I
  5854 Li(I)O4I (HARCEI)H20LiC8O4I
  5855 Li(+)(H2O)5.IH10LiO5I
  5856 Li(+)(H2O)5.I (Geo)H10LiO5I
  5857 Iodine fluoride (Geo)FI
  5858 Iodine fluorideFI
  5859 Trifluoroiodomethane (Geo)CF3I
  5860 TrifluoroiodomethaneCF3I
  5861 1,1,1-Trifluoro-2-iodoethane C2H2F3I
  5862 Iodine pentafluoride (Geo)F5I
  5863 Iodine pentafluorideF5I
  5864 PentafluoroiodobenzeneC6F5I
  5865 Iodine heptafluoride (Geo)F7I
  5866 Iodine heptafluorideF7I
  5867 Sodium iodide, cationNaI
  5868 Sodium iodide (Geo)NaI
  5869 Sodium iodideNaI
  5870 Aluminum iodideAlI
  5871 Al(III)C3I(-) (MAIMAL) (Geo)C3H9AlI


ΔHf: -155.1 kcal/mol,     REF: NIST Chemistry WebBook, NIST Standard Reference Database, No. 69; W. G. Mallard, P. J. Linstrom, Eds., National Institute of Standards and Technology, Gaithersberg, http://webbook.nist.gov/chemistry.
  
 PM7
1,1,1-Trifluoro-2-iodoethane
 H=-155.05 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.51976722 +1    0.0000000 +0    0.0000000 +0     1     0     0
  F     1.33175657 +1  114.8211662 +1    0.0000000 +0     1     2     0
  H     1.10854585 +1  111.1773677 +1  -57.7724755 +1     2     1     3
  H     1.10834925 +1  111.2360553 +1 -118.9821136 +1     2     1     4
  F     1.33169048 +1  114.9917773 +1 -121.9566484 +1     1     2     3
  F     1.33525187 +1  112.4567402 +1 -119.1110653 +1     1     2     6
  I     2.16236057 +1  113.3836018 +1 -120.6815094 +1     2     1     5