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

pentafluoroiodobenzene   5865 Pentafluoroiodobenzene

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    #  Species Formula
  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 Pentafluoroiodobenzene C6F5I
  5866 Iodine heptafluoride (Geo)F7I
  5867 Iodine heptafluorideF7I
  5868 Sodium iodide, cationNaI
  5869 Sodium iodide (Geo)NaI
  5870 Sodium iodideNaI
  5871 Aluminum iodideAlI
  5872 Al(III)C3I(-) (MAIMAL) (Geo)C3H9AlI
  5873 Al(III)C3I(-) (MAIMAL)C3H9AlI
  5874 IodosilaneH3SiI
  5875 Iodosilane (Geo)H3SiI


ΔHf: -176.6 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
Pentafluoroiodobenzene
 H=-176.6 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.39571305 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.39598567 +1  118.0684019 +1    0.0000000 +0     2     1     0
  C     1.40020602 +1  121.3324920 +1   -0.0062103 +1     3     2     1
  C     1.39671663 +1  119.9481857 +1   -0.0037987 +1     4     3     2
  C     1.39662334 +1  119.3644696 +1    0.0011480 +1     5     4     3
  F     1.31856966 +1  120.9785855 +1 -179.9655415 +1     1     2     3
  F     1.31697280 +1  120.1005604 +1  179.9998996 +1     6     5     4
  F     1.31543349 +1  120.3413838 +1  179.9871787 +1     5     4     6
  F     1.31703735 +1  119.9529813 +1 -179.9973279 +1     4     3     5
  F     1.31864178 +1  120.9594672 +1 -179.9964543 +1     3     2     4
  I     2.10992270 +1  120.9815894 +1  179.9755620 +1     2     1     3