Accuracy

methyl chloride   2334 Methyl chloride

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    #  Species Formula
  2324 Lithium chlorideLiCl
  2325 Beryllium chlorideBeCl
  2326 Boron chlorideBCl
  2327 BH2ClH2BCl
  2328 BH2Cl (Geo)H2BCl
  2329 Chlorodiborane (Geo)H5B2Cl
  2330 ChloromethylidyneCCl
  2331 Chloromethylene (Geo)HCCl
  2332 ChloromethyleneHCCl
  2333 Chloromethane (Geo)CH3Cl
  2334 Methyl chloride CH3Cl
  2335 CH3ClH(+)CH4Cl
  2336 Chloroacetylene (Geo)HC2Cl
  2337 ChloroacetyleneHC2Cl
  2338 ChloroethyleneC2H3Cl
  2339 Chloroethane (Geo)C2H5Cl
  2340 ChloroethaneC2H5Cl
  2341 DimethylchloroboraneH6BC2Cl
  2342 2-ChloropropeneC3H5Cl
  2343 2-Chloropropene (Geo)C3H5Cl
  2344 1-ChloropropaneC3H7Cl


ΔHf: -20.0 kcal/mol,     REF: M. W. Chase, C. A. Davies, J. R. Downey, D. R. Frurip, R. A. McDonald, A. N. Syverud, JANAF Thermochemical Tables, Third Edition, J. Phys. Chem. Ref. Data 14, Suppl. 1 (1985).
Dipole: 1.9 Debye,     REF: P. Winget, A.H.C. Horn, C. Seloki, B. Martin, T. Clark, J. Mol. Model. 9, 408 (2003).
I.P.: 11.3 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.
  
 SYMMETRY PM7
Methyl chloride
 H=-20.00 HR=JANAF86 I=11.3 IR=LLNBS82 D=1.89 DR=WHSMC03 S=56.07 CP=9.75
 
 Cl     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.76927586 +1    0.0000000 +0    0.0000000 +0     1     0     0
  H     1.09220841 +1  108.2538077 +1    0.0000000 +0     2     1     0
  H     1.09220841 +1  108.2538077 +1  120.0000000 +0     2     1     3
  H     1.09220841 +1  108.2538077 +1 -120.0000000 +0     2     1     3
 
   3  1    4    5
   3  2    4    5