Accuracy

m-dinitrobenzene   1417 m-Dinitrobenzene

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    #  Species Formula
  1407 Li(I)2(Cp)2O4 (DANPOX) (Geo)C16H26Li2O4
  1408 Li(I)2(Cp)2O4 (DANPOX)C16H26Li2O4
  1409 p-Diacetylbenzene diethyl ketalC18H30O4
  1410 Aspartic acidC4H7NO4
  1411 Glutamic acidC5H9NO4
  1412 4-NitrocatecholC6H5NO4
  1413 p-Nitrobenzoic acidC7H5NO4
  1414 Dinitrogen tetroxideN2O4
  1415 Dinitrogen tetroxide (Geo)N2O4
  1416 DinitromethaneCH2N2O4
  1417 m-Dinitrobenzene C6H4N2O4
  1418 o-DinitrobenzeneC6H4N2O4
  1419 p-DinitrobenzeneC6H4N2O4
  1420 2,4-DinitrotolueneC7H6N2O4
  1421 DinitrophenylmethaneC7H6N2O4
  1422 N,N'-Bis(m-methoxyphenyl) terephthalamideC22H20N2O4
  1423 N,N'-Bis(o-methoxyphenyl) terephthalamideC22H20N2O4
  1424 N,N'-Bis(p-methoxyphenyl) terephthalamideC22H20N2O4
  1425 MethyldinitramineCH3N3O4
  1426 LiHCO3.2H2OH5LiCO5
  1427 LiHCO3.2H2O (Geo)H5LiCO5


ΔHf: 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