PM7 Accuracy

1,3-dichloro-1,1,3,3-tetranitropropane   2520 1,3-Dichloro-1,1,3,3-tetranitropropane

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    #  Species Formula
  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-dichloroethaneC2N4O8Cl2
  2520 1,3-Dichloro-1,1,3,3-tetranitropropane C3H2N4O8Cl2
  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
  2530 Mg(II)O4Cl2 (CEXWUX10) (Geo)C8H20O6MgCl2


DHf: -17.6 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
1,3-Dichloro-1,1,3,3-tetranitropropane
 H=-17.6 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.52094650  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.52306298  1  117.3027135  1    0.0000000  0     2     1     0
 Cl     1.76577450  1  108.4161807  1 -162.6494288  1     1     2     3
 Cl     1.74858900  1  112.4688423  1  -27.6680709  1     3     2     1
  N     1.53841522  1  112.6319257  1 -116.6020509  1     1     2     4
  N     1.53387076  1  112.8442036  1 -126.4329355  1     1     2     6
  N     1.54156566  1  111.5358548  1 -119.5182234  1     3     2     5
  N     1.54805470  1  110.6415992  1 -117.4836537  1     3     2     8
  O     1.20248421  1  117.9583985  1 -126.0512372  1     9     3     2
  O     1.21236196  1  114.1249038  1 -179.8651382  1     9     3    10
  O     1.20996313  1  116.7909269  1   10.6367510  1     8     3     2
  O     1.20791488  1  116.0848282  1  179.4798124  1     8     3    12
  O     1.21375702  1  114.2606981  1  -37.5649701  1     7     1     2
  O     1.20376810  1  118.3385045  1 -179.6684358  1     7     1    14
  O     1.20524253  1  117.2262557  1 -178.1065940  1     6     1     2
  O     1.21281971  1  115.5751396  1 -177.6169000  1     6     1    16
  H     1.13480051  1  108.2872870  1 -124.5046345  1     2     1     3
  H     1.12982557  1  109.8309022  1 -110.7604486  1     2     1    18