Accuracy

2-chlorobenzoic acid   2388 2-Chlorobenzoic acid

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    #  Species Formula
  2378 Acetyl chloride (Geo)C2H3OCl
  2379 3-ChlorophenolC6H5OCl
  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 acid C7H5O2Cl
  2389 3-Chlorobenzoic acidC7H5O2Cl
  2390 4-Chlorobenzoic acidC7H5O2Cl
  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


ΔHf: -77.7 kcal/mol,     REF: P. Winget, A.H.C. Horn, C. Seloki, B. Martin, T. Clark, J. Mol. Model. 9, 408 (2003).
  
 PM7
2-Chlorobenzoic acid
 H=-77.7 HR=WHSMC03
 Cl     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.69963235 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.39138595 +1  117.3226270 +1    0.0000000 +0     2     1     0
  C     1.39277946 +1  118.9841700 +1 -179.9973788 +1     3     2     1
  C     1.39513700 +1  120.1609966 +1    0.0077545 +1     4     3     2
  C     1.39164955 +1  120.2360329 +1    0.0031859 +1     5     4     3
  C     1.39457617 +1  120.8409683 +1  179.9993905 +1     2     1     3
  C     1.47115651 +1  121.7601451 +1    0.0055219 +1     7     2     1
  O     1.20231178 +1  129.8785371 +1    0.0171942 +1     8     7     2
  H     1.09073779 +1  120.8101232 +1  179.9993532 +1     3     2     4
  H     1.09071399 +1  119.8507731 +1 -179.9996412 +1     4     3     5
  H     1.08934606 +1  119.9332246 +1  179.9976950 +1     5     4     6
  H     1.09524291 +1  119.8385987 +1  179.9959789 +1     6     5     4
  O     1.36519456 +1  110.6393522 +1 -179.9950064 +1     8     7     9
  H     0.99007028 +1  112.7690968 +1 -179.9976417 +1    14     8     7