PM7 Accuracy

m-dinitrobenzene   1420 m-Dinitrobenzene

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    #  Species Formula
  1410 Li(I)2(Cp)2O4 (DANPOX) (Geo)C16H26Li2O4
  1411 Li(I)2(Cp)2O4 (DANPOX)C16H26Li2O4
  1412 p-Diacetylbenzene diethyl ketalC18H30O4
  1413 Aspartic acidC4H7NO4
  1414 Glutamic acidC5H9NO4
  1415 4-NitrocatecholC6H5NO4
  1416 p-Nitrobenzoic acidC7H5NO4
  1417 Dinitrogen tetroxideN2O4
  1418 Dinitrogen tetroxide (Geo)N2O4
  1419 DinitromethaneCH2N2O4
  1420 m-Dinitrobenzene C6H4N2O4
  1421 o-DinitrobenzeneC6H4N2O4
  1422 p-DinitrobenzeneC6H4N2O4
  1423 2,4-DinitrotolueneC7H6N2O4
  1424 DinitrophenylmethaneC7H6N2O4
  1425 N,N'-Bis(m-methoxyphenyl) terephthalamideC22H20N2O4
  1426 N,N'-Bis(o-methoxyphenyl) terephthalamideC22H20N2O4
  1427 N,N'-Bis(p-methoxyphenyl) terephthalamideC22H20N2O4
  1428 MethyldinitramineCH3N3O4
  1429 LiHCO3.2H2OH5LiCO5
  1430 LiHCO3.2H2O (Geo)H5LiCO5


DHf: 11.3 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
  
 PM7
m-Dinitrobenzene
 H=11.3 HR=C&P1970
  C     0.00013433  1   0.00499042  1  -0.02178412  1
  C     2.78062895  1  -0.01281401  1  -0.05688637  1
  C     0.72353169  1   1.20152246  1   0.02782951  1
  C     0.68633622  1  -1.20494740  1  -0.08965409  1
  C     2.11875715  1   1.21389878  1   0.01064861  1
  C     2.07894998  1  -1.22230280  1  -0.10734164  1
  H    -1.09713969  1   0.02450012  1  -0.00695252  1
  N    -0.00203707  1   2.46579899  1   0.10038076  1
  H     0.13021121  1  -2.14397757  1  -0.12938334  1
  H     2.68001003  1   2.16278038  1   0.04894938  1
  H     2.62392882  1  -2.17320684  1  -0.15972344  1
  N     4.23985539  1  -0.03737857  1  -0.07448600  1
  O     4.83074308  1   1.02694407  1  -0.03565460  1
  O     4.78745941  1  -1.12571250  1  -0.12748790  1
  O    -1.22021546  1   2.41927471  1   0.12924434  1
  O     0.64606518  1   3.49645788  1   0.12772721  1