Accuracy

1-iodo-2-propanone   5846 1-Iodo-2-propanone

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    #  Species Formula
  5836 ortho IodotolueneC7H7I
  5837 p-IodotolueneC7H7I
  5838 1-IodonaphthaleneC10H7I
  5839 2-IodonaphthaleneC10H7I
  5840 Cyanogen iodideCNI
  5841 Li(I)N3I (JEPRUR) (Geo)H15LiC15N3I
  5842 Li(I)N3I (JEPRUR)H15LiC15N3I
  5843 Iodine oxideOI
  5844 Acetyl iodideC2H3OI
  5845 Iodomethyl methyl etherC2H5OI
  5846 1-Iodo-2-propanone C3H5OI
  5847 3-Iodo-2-butanoneC4H7OI
  5848 Benzoyl iodideC7H5OI
  5849 Nitrosyl iodideNOI
  5850 2-Iodobenzoic acidC7H5O2I
  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


ΔHf: -31.2 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-Iodo-2-propanone
 H=-31.2 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  H     1.10051779 +1    0.0000000 +0    0.0000000 +0     1     0     0
  H     1.10559365 +1  108.1165417 +1    0.0000000 +0     1     2     0
  C     1.51045444 +1  111.9580009 +1 -122.5297974 +1     1     2     3
  I     2.15916577 +1  107.5242886 +1 -122.2462933 +1     1     2     4
  H     2.18731068 +1   90.8948042 +1  -46.9432599 +1     4     1     2
  H     1.77517057 +1   64.6059914 +1  147.2705197 +1     6     4     1
  C     1.09447246 +1   38.5189016 +1   33.1964851 +1     6     4     7
  H     1.10313187 +1  107.5314363 +1  122.9768367 +1     8     6     4
  O     1.20494951 +1  119.9997228 +1  178.4223916 +1     4     1     6