PM7 Accuracy

1,1',2,2'-tetranitro-1,2-dichloroethane   2519 1,1',2,2'-Tetranitro-1,2-dichloroethane

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    #  Species Formula
  2509 Be(II)Cl2 (ETBECL) (Geo)H10BeC4OCl2
  2510 Be(II)Cl2 (ETBECL)H10BeC4OCl2
  2511 Cl2O2O2Cl2
  2512 Oxalyl chlorideC2O2Cl2
  2513 Oxalyl chloride (Geo)C2O2Cl2
  2514 Be(II)Cl2O2 (ETBECL01) (Geo)H20BeC8O2Cl2
  2515 Be(II)Cl2O2 (ETBECL01)H20BeC8O2Cl2
  2516 1,1-Dichloro-1-nitro-propaneC3H5NO2Cl2
  2517 B3O3HCl2HB3O3Cl2
  2518 Chlorine heptoxideO7Cl2
  2519 1,1',2,2'-Tetranitro-1,2-dichloroethane C2N4O8Cl2
  2520 1,3-Dichloro-1,1,3,3-tetranitropropaneC3H2N4O8Cl2
  2521 DichlorofluorboraneBFCl2
  2522 FluorodichloromethaneHCFCl2
  2523 Dichlorodifluoromethane (Geo)CF2Cl2
  2524 DifluorodichloromethaneCF2Cl2
  2525 1,2-Dichloro 1,1,2,2-tetrafluoroethaneC2F4Cl2
  2526 Sodium chloride, dimer (Geo)Na2Cl2
  2527 Sodium chloride, dimerNa2Cl2
  2528 Magnesium dichlorideMgCl2
  2529 Magnesium dichloride (Geo)MgCl2


DHf: 8.6 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
1,1',2,2'-Tetranitro-1,2-dichloroethane
 H=8.6 HR=NIST
  C    -0.01178199  1   0.02546212  1   0.05917526  1
  C     1.51675857  1   0.02722903  1  -0.02922796  1
  N     2.04829739  1   1.48123772  1  -0.14151287  1
  O     2.28250317  1   1.86375391  1  -1.26095299  1
  O     2.15836702  1   2.08182843  1   0.89704475  1
 Cl     2.21015418  1  -0.70415527  1   1.39579886  1
 Cl    -0.69160587  1   0.86730125  1  -1.30971889  1
  N    -0.47801283  1   0.73559699  1   1.35734544  1
  O    -0.54017215  1   1.93757328  1   1.30688708  1
  O    -0.71458095  1   0.00836053  1   2.28996638  1
  N    -0.61611403  1  -1.39785005  1   0.09066618  1
  O    -1.81967024  1  -1.44613786  1   0.08514318  1
  O     0.17184788  1  -2.31025502  1   0.12203943  1
  N     2.05357190  1  -0.73889807  1  -1.26061682  1
  O     1.22525813  1  -1.19354785  1  -2.01009163  1
  O     3.25365084  1  -0.80027665  1  -1.34382292  1