Accuracy

4-chlorobenzoic acid   2390 4-Chlorobenzoic acid

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    #  Species Formula
  2380 4-ChlorophenolC6H5OCl
  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 acid C7H5O2Cl
  2391 Nitryl chlorideNO2Cl
  2392 NO2Cl (Geo)NO2Cl
  2393 O3ClO3Cl
  2394 B3O3H2ClH2B3O3Cl
  2395 O4Cl(-)O4Cl
  2396 HOClO3 (Geo)HO4Cl
  2397 HOClO3HO4Cl
  2398 Li(I)O4Cl (CEJQIR) (Geo)H20LiC8O4Cl
  2399 Li(I)O4Cl (CEJQIR)H20LiC8O4Cl
  2400 Li(+)(H2O)5.ClH10LiO5Cl


ΔHf: -81.5 kcal/mol,     REF: P. Winget, A.H.C. Horn, C. Seloki, B. Martin, T. Clark, J. Mol. Model. 9, 408 (2003).
  
 PM7
4-Chlorobenzoic acid
 H=-81.5 HR=WHSMC03
  H     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.09523329 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.39237315 +1  120.4527108 +1    0.0000000 +0     2     1     0
  C     1.39010177 +1  118.2324161 +1  179.9937582 +1     3     2     1
  C     1.38970252 +1  122.9731539 +1    0.0011101 +1     4     3     2
  C     1.39333745 +1  118.3836401 +1    0.0018308 +1     5     4     3
  C     1.39704299 +1  119.6689257 +1    0.0056729 +1     6     5     4
  C     1.47057918 +1  121.3267388 +1 -179.9986992 +1     7     6     5
  O     1.20466551 +1  127.8928780 +1  179.9935280 +1     8     7     6
  H     1.09021184 +1  120.4039496 +1  179.9996320 +1     3     2     4
 Cl     1.70932284 +1  118.5175222 +1  179.9987518 +1     4     3     5
  H     1.09015717 +1  121.2609931 +1  179.9999484 +1     5     4     6
  H     1.09431881 +1  120.1635408 +1  179.9999350 +1     6     5     7
  O     1.36023480 +1  111.7454628 +1  179.9979999 +1     8     7     9
  H     0.99041200 +1  113.0435309 +1 -179.9974679 +1    14     8     7