Accuracy

4-chlorophenol   2380 4-Chlorophenol

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    #  Species Formula
  2370 Hypochlorous acidHOCl
  2371 Lithium oxychloride (Geo)LiOCl
  2372 Lithium hypochloriteLiOCl
  2373 LiCl.H2OH2LiOCl
  2374 LiCl.H2O (Geo)H2LiOCl
  2375 BOClBOCl
  2376 Carbonyl chloride (COCl)COCl
  2377 Acetyl chlorideC2H3OCl
  2378 Acetyl chloride (Geo)C2H3OCl
  2379 3-ChlorophenolC6H5OCl
  2380 4-Chlorophenol C6H5OCl
  2381 2-ChlorobenzaldehydeC7H5OCl
  2382 Benzoyl chlorideC7H5OCl
  2383 Nitrosyl chlorideNOCl
  2384 NOCl (Geo)NOCl
  2385 Chlorine dioxideO2Cl
  2386 Chloroacetic acidC2H3O2Cl
  2387 DimethoxychloroboraneH6BC2O2Cl
  2388 2-Chlorobenzoic acidC7H5O2Cl
  2389 3-Chlorobenzoic acidC7H5O2Cl
  2390 4-Chlorobenzoic acidC7H5O2Cl


ΔHf: -34.8 kcal/mol,     REF: P. Winget, A.H.C. Horn, C. Seloki, B. Martin, T. Clark, J. Mol. Model. 9, 408 (2003).
  
 PM7
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