Accuracy

4-chlorophenol   1695 4-Chlorophenol

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    #  Species Formula
  1685 Cyanogen chlorideCNCl
  1686 Cyanogen chloride (Geo)CNCl
  1687 3-Chloro-4-methylanilineC7H8NCl
  1688 Chlorine oxideOCl
  1689 Chlorine monoxide (Geo)OCl
  1690 Hypochlorous acidHOCl
  1691 Carbonyl chloride (COCl)COCl
  1692 Acetyl chlorideC2H3OCl
  1693 Acetyl chloride (Geo)C2H3OCl
  1694 3-ChlorophenolC6H5OCl
  1695 4-Chlorophenol C6H5OCl
  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 acidC7H5O2Cl
  1704 4-Chlorobenzoic acidC7H5O2Cl
  1705 Nitryl chlorideNO2Cl


ΔHf: -34.8 kcal/mol,     REF: P. Winget, A.H.C. Horn, C. Seloki, B. Martin, T. Clark, J. Mol. Model. 9, 408 (2003).
  

4-Chlorophenol
 H=-34.8 HR=WHSMC03
  H     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.08508253 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.39396003 +1  120.5229736 +1    0.0000000 +0     2     1     0
  C     1.38828896 +1  118.7395920 +1  179.9707724 +1     3     2     1
  C     1.39336100 +1  122.9503156 +1   -0.0075256 +1     4     3     2
  C     1.38818845 +1  118.7909068 +1    0.0114371 +1     5     4     3
  C     1.39681004 +1  121.0333256 +1  179.9600918 +1     2     1     3
  O     1.35657566 +1  122.4895723 +1    0.0644079 +1     7     2     1
  H     1.09109867 +1  120.0829358 +1  179.9989780 +1     3     2     4
 Cl     1.71040590 +1  118.6044810 +1 -179.9902087 +1     4     3     5
  H     1.09153633 +1  120.9141156 +1  179.9978710 +1     5     4     6
  H     1.08818149 +1  121.7928944 +1 -179.9962208 +1     6     5     4
  H     0.98843732 +1  112.3884683 +1    0.0126118 +1     8     7     2