Accuracy

dichloromethane   1746 Dichloromethane

(Previous)     (Back)     (Next)         Geometry predicted using PM7

    

    #  Species Formula
  1736 CH3SCl (Geo)CH3SCl
  1737 C6H5SClC6H5SCl
  1738 SOClOSCl
  1739 HOSO2ClHO3SCl
  1740 SO2ClFO2FSCl
  1741 SF5ClF5SCl
  1742 Hydrogen dichloride, anionHCl2
  1743 DichloromethyleneCCl2
  1744 CHCl2(+)HCCl2
  1745 Dichloromethane (Geo)CH2Cl2
  1746 Dichloromethane CH2Cl2
  1747 DichloroacetyleneC2Cl2
  1748 cis-DichloroethyleneC2H2Cl2
  1749 cis-Dichloroethylene (Geo)C2H2Cl2
  1750 1,1-DichloroethyleneC2H2Cl2
  1751 trans-1,2-DichloroethyleneC2H2Cl2
  1752 1,1-DichloroethaneC2H4Cl2
  1753 1,1-Dichloroethane (Geo)C2H4Cl2
  1754 trans-1,2-DichloroethaneC2H4Cl2
  1755 trans-1,2-Dichloroethane (Geo)C2H4Cl2
  1756 1,2-DichloropropaneC3H6Cl2


ΔHf: -23.0 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
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
Dichloromethane
 H=-22.96 HR=C&P1970 I=11.3 IR=LLNBS82 S=64.58 CP=12.19
 
  H     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.10022021 +1    0.0000000 +0    0.0000000 +0     1     0     0
  H     1.10022021 +0  112.9071661 +1    0.0000000 +0     2     1     0
 Cl     1.76151858 +1  108.5746684 +1 -120.5485950 +1     2     1     3
 Cl     1.76151858 +0  108.5896766 +1  120.5771748 +1     2     1     3
 
   2  1    3
   4  1    5