Accuracy

p-dinitrobenzene   1419 p-Dinitrobenzene

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    #  Species Formula
  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-DinitrobenzeneC6H4N2O4
  1418 o-DinitrobenzeneC6H4N2O4
  1419 p-Dinitrobenzene C6H4N2O4
  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
  1428 Tartronic acidC3H4O5
  1429 1,3,5,7,9-pentaoxecaneC5H10O5


ΔHf: 13.3 kcal/mol,     REF: D. Hwang, M. Tamura, T. Yoshida, N. Tanaka, F. Hosoya, J. Energetic Matls, (1989) in press.
  
 PM7
p-Dinitrobenzene
 H=13.3 HR=HTYT1989
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.39704560 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.39706182 +1  121.9408953 +1    0.0000000 +0     2     1     0
  C     1.39149947 +1  119.0195184 +1   -0.2154869 +1     3     2     1
  C     1.39146724 +1  119.0460957 +1    0.2722642 +1     1     2     3
  C     1.39706435 +1  119.0054823 +1   -0.1816306 +1     5     1     2
  H     1.09692274 +1  120.4205037 +1 -179.7641716 +1     1     2     3
  N     1.46325278 +1  119.0329831 +1  179.8208075 +1     2     1     3
  H     1.09684598 +1  120.5517745 +1  179.8310992 +1     5     1     2
  H     1.09687334 +1  120.4498555 +1  179.7739988 +1     3     2     1
  H     1.09692609 +1  120.4395863 +1 -179.8825058 +1     4     6     1
  N     1.46328127 +1  119.0227185 +1 -179.9955983 +1     6     5     2
  O     1.21879409 +1  117.8916274 +1  178.3950448 +1    12     6     1
  O     1.21875095 +1  117.9005269 +1   -1.5904173 +1    12     6     1
  O     1.21872157 +1  117.9027959 +1    0.1850350 +1     8     2     1
  O     1.21875808 +1  117.8923835 +1 -179.8217807 +1     8     2     1