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

benzoyl iodide   5849 Benzoyl iodide

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    #  Species Formula
  5839 1-IodonaphthaleneC10H7I
  5840 2-IodonaphthaleneC10H7I
  5841 Cyanogen iodideCNI
  5842 Li(I)N3I (JEPRUR) (Geo)H15LiC15N3I
  5843 Li(I)N3I (JEPRUR)H15LiC15N3I
  5844 Iodine oxideOI
  5845 Acetyl iodideC2H3OI
  5846 Iodomethyl methyl etherC2H5OI
  5847 1-Iodo-2-propanoneC3H5OI
  5848 3-Iodo-2-butanoneC4H7OI
  5849 Benzoyl iodide C7H5OI
  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


ΔHf: 2.5 kcal/mol,     REF: J. B. Pedley, B. S. Iseard, "CATCH Tables of Silicon Compounds," University of Sussex, 1972
  
 PM7
Benzoyl iodide
 H=2.52 HR=CATCH
  C     0.05138405 +1   0.07271613 +1   0.06701425 +1
  C     2.79609522 +1  -0.13680545 +1  -0.28305543 +1
  C     0.77998051 +1   1.17208881 +1  -0.38635475 +1
  C     0.69733788 +1  -1.13161371 +1   0.34403944 +1
  C     2.15843810 +1   1.07276032 +1  -0.55940852 +1
  C     2.07462254 +1  -1.24303353 +1   0.16630444 +1
  H    -1.02716389 +1   0.15560092 +1   0.20523136 +1
  H     0.27068980 +1   2.10990858 +1  -0.60401519 +1
  H     0.12470358 +1  -1.98788512 +1   0.69866558 +1
  H     2.72990503 +1   1.93307618 +1  -0.90977677 +1
  H     2.58154168 +1  -2.18550485 +1   0.37491001 +1
  C     4.24724516 +1  -0.26120558 +1  -0.47196013 +1
  O     4.82321721 +1  -0.77485128 +1  -1.37507652 +1
  I     5.40166993 +1   0.62548240 +1   1.18441828 +1