PM7 Accuracy

dichloromethane   2484 Dichloromethane

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    #  Species Formula
  2474 Lithium chloride dimer (Geo)Li2Cl2
  2475 Lithium chloride, dimerLi2Cl2
  2476 Beryllium dichloride (Geo)BeCl2
  2477 Beryllium dichlorideBeCl2
  2478 BHCl2HBCl2
  2479 BHCl2 (Geo)HBCl2
  2480 Dichloroborane (1)HBCl2
  2481 DichloromethyleneCCl2
  2482 CHCl2(+)HCCl2
  2483 Dichloromethane (Geo)CH2Cl2
  2484 Dichloromethane CH2Cl2
  2485 MethyldichloroboraneH3BCCl2
  2486 DichloroacetyleneC2Cl2
  2487 1,1-DichloroethyleneC2H2Cl2
  2488 cis-DichloroethyleneC2H2Cl2
  2489 cis-Dichloroethylene (Geo)C2H2Cl2
  2490 trans-1,2-DichloroethyleneC2H2Cl2
  2491 trans-DichloroethyleneC2H2Cl2
  2492 1,1-DichloroethaneC2H4Cl2
  2493 1,1-Dichloroethane (Geo)C2H4Cl2
  2494 trans-1,2-DichloroethaneC2H4Cl2


DHf: -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 PM7
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
   4  2    5