Accuracy

benzoyl chloride   2382 Benzoyl chloride

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    #  Species Formula
  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-ChlorobenzaldehydeC7H5OCl
  2382 Benzoyl chloride C7H5OCl
  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
  2392 NO2Cl (Geo)NO2Cl


ΔHf: -26.1 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
I.P.: 9.9 eV,     REF: R. D. Levin, S. G. Lias, "Ionization Potentials and Appearance Potential Measurements," 1971-1981, Natl. Stand. Ref. Data Ser., Natl. Bur. Stand. 71, (1982), Cat. No. C13.48:71.
  
 PM7
Benzoyl chloride
 H=-26.1 HR=C&P1970 I=9.9 IR=LLNBS82
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     2.78671920 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.39401578 +1   59.9505539 +1    0.0000000 +0     1     2     0
  C     1.39537568 +1   60.1384684 +1  179.9705163 +1     1     2     3
  C     1.39349021 +1  120.2335942 +1   -0.0844227 +1     3     1     2
  C     1.39097192 +1  119.9948091 +1   -0.1505067 +1     4     1     2
  H     1.09011452 +1  179.9293378 +1  -69.3455965 +1     1     2     3
  H     1.08952996 +1  119.9735289 +1  179.9571371 +1     3     1     2
  H     1.08939783 +1  120.0108085 +1  179.9829491 +1     4     1     2
  H     1.09300719 +1  119.2225682 +1  179.7571788 +1     5     3     1
  H     1.09341992 +1  120.2398949 +1 -179.5367960 +1     6     4     1
  C     1.45945275 +1  176.7109733 +1 -166.4415562 +1     2     1     3
  O     1.18798630 +1  129.2773735 +1 -160.1585867 +1    12     2     5
 Cl     1.77890917 +1  114.2290750 +1   21.1117640 +1    12     2     5