Accuracy

2,4-dinitrotoluene   1420 2,4-Dinitrotoluene

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    #  Species Formula
  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-DinitrobenzeneC6H4N2O4
  1420 2,4-Dinitrotoluene C7H6N2O4
  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
  1430 3,5,7,9,11-Pentaoxa-tridecaneC8H18O5


ΔHf: 7.9 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
2,4-Dinitrotoluene
 H=7.93 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.40420992 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.40401918 +1  120.8448388 +1    0.0000000 +0     2     1     0
  C     1.38921332 +1  119.3573648 +1   -0.0199808 +1     3     2     1
  C     1.40250210 +1  120.9633454 +1   -0.0483397 +1     4     3     2
  C     1.38312868 +1  118.9704630 +1    0.0364254 +1     5     4     3
  C     1.48221074 +1  125.7790102 +1 -179.8678481 +1     1     2     3
  N     1.45861581 +1  123.5097408 +1 -179.7504637 +1     2     1     3
  N     1.45607863 +1  119.7214811 +1  179.9891342 +1     4     3     5
  O     1.22081513 +1  117.2275930 +1 -179.6340224 +1     8     2     1
  O     1.21821694 +1  119.9452981 +1 -179.8599093 +1     8     2    10
  O     1.21983213 +1  117.7520633 +1 -179.8466333 +1     9     4     3
  O     1.21826079 +1  118.0672384 +1  179.9967164 +1     9     4    12
  H     1.10597615 +1  120.4048904 +1 -179.9997302 +1     3     2     4
  H     1.09739046 +1  120.0888019 +1 -179.9840697 +1     5     4     6
  H     1.09243151 +1  119.4032532 +1 -179.9749560 +1     6     5     4
  H     1.10344581 +1  111.4350874 +1  121.9558382 +1     7     1     2
  H     1.10360698 +1  111.3453371 +1  119.3430868 +1     7     1    17
  H     1.10316227 +1  115.4707721 +1  120.3347503 +1     7     1    18