Accuracy

3-chlorobenzoic acid   1703 3-Chlorobenzoic acid

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    #  Species Formula
  1693 Acetyl chloride (Geo)C2H3OCl
  1694 3-ChlorophenolC6H5OCl
  1695 4-ChlorophenolC6H5OCl
  1696 2-ChlorobenzaldehydeC7H5OCl
  1697 Benzoyl chlorideC7H5OCl
  1698 Nitrosyl chlorideNOCl
  1699 NOCl (Geo)NOCl
  1700 Chlorine dioxideO2Cl
  1701 Chloroacetic acidC2H3O2Cl
  1702 2-Chlorobenzoic acidC7H5O2Cl
  1703 3-Chlorobenzoic acid C7H5O2Cl
  1704 4-Chlorobenzoic acidC7H5O2Cl
  1705 Nitryl chlorideNO2Cl
  1706 NO2Cl (Geo)NO2Cl
  1707 O3ClO3Cl
  1708 O4Cl(-)O4Cl
  1709 HOClO3 (Geo)HO4Cl
  1710 HOClO3HO4Cl
  1711 Chlorine fluorideFCl
  1712 Chlorine fluoride (Geo)FCl
  1713 Hydrogen chloride fluoride, anionHFCl


ΔHf: -81.7 kcal/mol,     REF: P. Winget, A.H.C. Horn, C. Seloki, B. Martin, T. Clark, J. Mol. Model. 9, 408 (2003).
  

3-Chlorobenzoic acid
 H=-81.7 HR=WHSMC03
  H     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.09572090 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.38739348 +1  121.8721852 +1    0.0000000 +0     2     1     0
  C     1.39086783 +1  122.5358904 +1 -179.9969255 +1     3     2     1
  C     1.39383308 +1  118.6195886 +1   -0.0026258 +1     4     3     2
  C     1.39480940 +1  120.2676669 +1   -0.0033420 +1     5     4     3
  C     1.39577118 +1  119.8272213 +1    0.0068113 +1     6     5     4
  C     1.47240411 +1  121.5509581 +1 -179.9923164 +1     7     6     5
  O     1.20417607 +1  127.8167837 +1  179.9481991 +1     8     7     6
 Cl     1.70763634 +1  118.6591463 +1  179.9870870 +1     3     2     4
  H     1.09122617 +1  121.0211368 +1  179.9997801 +1     4     3     5
  H     1.08985693 +1  119.8761676 +1 -179.9962784 +1     5     4     6
  H     1.09387048 +1  120.1304191 +1 -179.9982331 +1     6     5     7
  O     1.35973188 +1  111.6876813 +1 -179.9995200 +1     8     7     9
  H     0.99075088 +1  113.0131884 +1  179.9930691 +1    14     8     7