Accuracy

2-chlorobenzaldehyde   2381 2-Chlorobenzaldehyde

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    #  Species Formula
  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-ChlorophenolC6H5OCl
  2381 2-Chlorobenzaldehyde C7H5OCl
  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
  2391 Nitryl chlorideNO2Cl


ΔHf: -15.1 kcal/mol,     REF: P. Winget, A.H.C. Horn, C. Seloki, B. Martin, T. Clark, J. Mol. Model. 9, 408 (2003).
  
 PM7
2-Chlorobenzaldehyde
 H=-15.1 HR=WHSMC03
 Cl     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.71057165 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.38824949 +1  117.6434024 +1    0.0000000 +0     2     1     0
  C     1.39513868 +1  118.5285537 +1 -179.9966872 +1     3     2     1
  C     1.39447816 +1  120.2226459 +1    0.0020658 +1     4     3     2
  C     1.39306202 +1  120.1789109 +1    0.0003668 +1     5     4     3
  C     1.39138297 +1  119.8293269 +1 -179.9951756 +1     2     1     3
  C     1.48276577 +1  123.3330284 +1   -0.0101893 +1     7     2     1
  O     1.20776900 +1  120.8451212 +1 -179.9977994 +1     8     7     2
  H     1.09004116 +1  121.2003625 +1 -179.9995432 +1     3     2     4
  H     1.09065513 +1  119.7530645 +1  179.9968167 +1     4     3     5
  H     1.08962199 +1  119.9520327 +1 -179.9985967 +1     5     4     6
  H     1.09584315 +1  120.4704688 +1 -179.9966461 +1     6     5     4
  H     1.09747505 +1  118.7797827 +1  179.9995717 +1     8     7     9