PM7 Accuracy

trans-dichloroethylene   2491 trans-Dichloroethylene

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    #  Species Formula
  2481 DichloromethyleneCCl2
  2482 CHCl2(+)HCCl2
  2483 Dichloromethane (Geo)CH2Cl2
  2484 DichloromethaneCH2Cl2
  2485 MethyldichloroboraneH3BCCl2
  2486 DichloroacetyleneC2Cl2
  2487 1,1-DichloroethyleneC2H2Cl2
  2488 cis-DichloroethyleneC2H2Cl2
  2489 cis-Dichloroethylene (Geo)C2H2Cl2
  2490 trans-1,2-DichloroethyleneC2H2Cl2
  2491 trans-Dichloroethylene C2H2Cl2
  2492 1,1-DichloroethaneC2H4Cl2
  2493 1,1-Dichloroethane (Geo)C2H4Cl2
  2494 trans-1,2-DichloroethaneC2H4Cl2
  2495 trans-1,2-Dichloroethane (Geo)C2H4Cl2
  2496 1,2-DichloropropaneC3H6Cl2
  2497 1,2-DichlorobenzeneC6H4Cl2
  2498 1,3-DichlorobenzeneC6H4Cl2
  2499 1,4-DichlorobenzeneC6H4Cl2
  2500 Be(II)Cl2N2 (MECYBC) (Geo)H6BeC4N2Cl2
  2501 Be(II)Cl2N2 (MECYBC)H6BeC4N2Cl2


DHf: 1.2 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).
  
 PM7
trans-Dichloroethylene
 H=1.2 HR=JANAF86
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.32622253  1    0.0000000  0    0.0000000  0     1     0     0
  H     1.08464964  1  128.0538979  1    0.0000000  0     2     1     0
 Cl     1.70976714  1  119.0111210  1    0.0000000  0     1     2     3
  H     1.08462779  1  128.0379821  1  180.0000000  0     1     2     3
 Cl     1.70982395  1  118.9863815  1    0.0000000  0     2     1     5