PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

methyl chloride   2335 Methyl chloride

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    #  Species Formula
  2325 Lithium chlorideLiCl
  2326 Beryllium chlorideBeCl
  2327 Boron chlorideBCl
  2328 BH2ClH2BCl
  2329 BH2Cl (Geo)H2BCl
  2330 Chlorodiborane (Geo)H5B2Cl
  2331 ChloromethylidyneCCl
  2332 Chloromethylene (Geo)HCCl
  2333 ChloromethyleneHCCl
  2334 Chloromethane (Geo)CH3Cl
  2335 Methyl chloride CH3Cl
  2336 CH3ClH(+)CH4Cl
  2337 Chloroacetylene (Geo)HC2Cl
  2338 ChloroacetyleneHC2Cl
  2339 ChloroethyleneC2H3Cl
  2340 Chloroethane (Geo)C2H5Cl
  2341 ChloroethaneC2H5Cl
  2342 DimethylchloroboraneH6BC2Cl
  2343 2-ChloropropeneC3H5Cl
  2344 2-Chloropropene (Geo)C3H5Cl
  2345 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