Accuracy

dinitrophenylmethane   1421 Dinitrophenylmethane

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    #  Species Formula
  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-DinitrotolueneC7H6N2O4
  1421 Dinitrophenylmethane C7H6N2O4
  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
  1431 15-Crown-5C10H20O5


ΔHf: 8.3 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
Dinitrophenylmethane
 H=8.3 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.39375053 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.39273414 +1  120.0631245 +1    0.0000000 +0     2     1     0
  C     1.39653563 +1  119.7479513 +1   -0.0082874 +1     3     2     1
  C     1.39689647 +1  120.2920750 +1    0.1303418 +1     4     3     2
  C     1.39221941 +1  119.6862922 +1   -0.0755517 +1     5     4     3
  C     1.49774054 +1  120.6467210 +1 -179.9231637 +1     4     3     5
  N     1.52169696 +1  108.9881543 +1  -64.4740081 +1     7     4     3
  O     1.21188674 +1  115.8601964 +1 -106.9745752 +1     8     7     4
  O     1.21006847 +1  117.4785890 +1  178.1667282 +1     8     7     9
  N     1.51856570 +1  112.2031967 +1  120.7950323 +1     7     4     8
  O     1.21042073 +1  117.3731911 +1   22.6285836 +1    11     7     4
  O     1.21302345 +1  116.3661219 +1  177.3669908 +1    11     7    12
  H     1.08986628 +1  119.9832599 +1  179.9112331 +1     1     2     3
  H     1.08984899 +1  120.0904597 +1 -179.9290252 +1     2     1     3
  H     1.09332623 +1  119.8135017 +1 -179.9872475 +1     3     2     4
  H     1.08974824 +1  120.7115766 +1  179.9952653 +1     5     4     6
  H     1.08906212 +1  119.9339894 +1  179.9664692 +1     6     5     4
  H     1.13212818 +1  112.1842940 +1  119.8405581 +1     7     4    11