Accuracy

m-iodotoluene   5834 m-Iodotoluene

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    #  Species Formula
  5824 Z-1-Iodo-1-propeneC3H5I
  5825 1-IodopropaneC3H7I
  5826 2-IodopropaneC3H7I
  5827 1-Butyl iodideC4H9I
  5828 2-Iodo-2-methylpropaneC4H9I
  5829 tert-Butyl iodideC4H9I
  5830 Iodobenzene (Geo)C6H5I
  5831 IodobenzeneC6H5I
  5832 IodocyclohexaneC6H11I
  5833 Benzyl iodideC7H7I
  5834 m-Iodotoluene C7H7I
  5835 o-IodotolueneC7H7I
  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


ΔHf: 31.9 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
m-Iodotoluene
 H=31.9 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.39075579 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.39133182 +1  121.7274345 +1    0.0000000 +0     2     1     0
  C     1.39730925 +1  119.0793529 +1    0.0201428 +1     3     2     1
  C     1.39840874 +1  119.8277233 +1   -0.0105049 +1     4     3     2
  C     1.39117401 +1  120.1838030 +1   -0.0059924 +1     5     4     3
  I     2.11570562 +1  119.2269461 +1 -179.9910213 +1     2     1     3
  H     2.15036831 +1  130.8838907 +1 -147.1663083 +1     4     3     5
  H     1.77062652 +1   65.6736238 +1 -112.5592524 +1     8     4     3
  C     1.10070323 +1   40.1976729 +1   33.6380857 +1     8     4     9
  H     1.08850778 +1  119.8201953 +1  179.9984440 +1     5     4     6
  H     1.08993013 +1  119.9460876 +1 -179.9940516 +1     6     5     4
  H     1.09858300 +1  106.9264786 +1  123.8482764 +1    10     8     4
  H     1.08936967 +1  121.6152203 +1  179.9880828 +1     3     2     4
  H     1.08914262 +1  121.9479157 +1  179.9858723 +1     1     2     3