Accuracy

3-iodobenzoic acid   1917 3-Iodobenzoic acid

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    #  Species Formula
  1907 1-IodonaphthaleneC10H7I
  1908 2-IodonaphthaleneC10H7I
  1909 Cyanogen iodideCNI
  1910 Acetyl iodideC2H3OI
  1911 Iodomethyl methyl etherC2H5OI
  1912 1-Iodo-2-propanoneC3H5OI
  1913 3-Iodo-2-butanoneC4H7OI
  1914 Benzoyl iodideC7H5OI
  1915 Nitrosyl iodideNOI
  1916 2-Iodobenzoic acidC7H5O2I
  1917 3-Iodobenzoic acid C7H5O2I
  1918 4-Iodobenzoic acidC7H5O2I
  1919 Iodine fluoride (Geo)FI
  1920 Iodine fluorideFI
  1921 Trifluoroiodomethane (Geo)CF3I
  1922 TrifluoroiodomethaneCF3I
  1923 1,1,1-Trifluoro-2-iodoethaneC2H2F3I
  1924 Iodine pentafluoride (Geo)F5I
  1925 Iodine pentafluorideF5I
  1926 PentafluoroiodobenzeneC6F5I
  1927 Iodomethyl methyl sulfideC2H5SI


ΔHf: -52.3 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.
  

3-Iodobenzoic acid
 H=-52.34 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.39342312 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.39170766 +1  121.3573421 +1    0.0000000 +0     2     1     0
  C     1.39655127 +1  118.5412402 +1    0.0241729 +1     3     2     1
  C     1.39671677 +1  120.9473806 +1    0.0015658 +1     4     3     2
  C     1.39245106 +1  119.5227710 +1   -0.0094457 +1     5     4     3
  I     2.11427993 +1  119.4226428 +1 -179.9861404 +1     2     1     3
  O     2.40720313 +1  144.4119542 +1  179.9809349 +1     4     3     5
  H     1.09538187 +1  122.0052175 +1  179.9960047 +1     3     2     4
  C     1.20437068 +1   28.8803763 +1    0.0570656 +1     8     4     3
  H     1.09464287 +1  119.8821051 +1 -179.9967452 +1     5     4     6
  H     1.09022592 +1  119.9561734 +1 -179.9973446 +1     6     5     4
  O     1.35936419 +1  120.5108863 +1  179.9926207 +1    10     8     4
  H     0.99089639 +1  113.0960517 +1   -0.0033393 +1    13    10     8
  H     1.09173890 +1  121.5764452 +1  179.9794706 +1     1     2     3