PM7 Accuracy

dichloroacetylene   2486 Dichloroacetylene

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    #  Species Formula
  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 DichloromethaneCH2Cl2
  2485 MethyldichloroboraneH3BCCl2
  2486 Dichloroacetylene C2Cl2
  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
  2495 trans-1,2-Dichloroethane (Geo)C2H4Cl2
  2496 1,2-DichloropropaneC3H6Cl2


DHf: 51.0 kcal/mol,     REF: NIST Chemistry WebBook, NIST Standard Reference Database, No. 69; W. G. Mallard, P. J. Linstrom, Eds., National Institute of Standards and Technology, Gaithersberg, http://webbook.nist.gov/chemistry.
  
 PM7
Dichloroacetylene
 HR=NIST H=51.0
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.20942704  1    0.0000000  0    0.0000000  0     1     0     0
 Cl     1.59190753  1  180.0000000  0    0.0000000  0     2     1     0
 Cl     1.59192096  1  179.0000000  0    0.0000000  0     1     2     3