Accuracy

p-nitrobenzoic acid   1413 p-Nitrobenzoic acid

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    #  Species Formula
  1403 1,4,9,10-AnthracenetetroneC14H6O4
  1404 1,4-Dihydroxy-9,10-anthracenedioneC14H8O4
  1405 Diphenyl oxalateC14H10O4
  1406 Dimethyl naphthalene-2,6-dicarboxylateC14H12O4
  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 acid C7H5NO4
  1414 Dinitrogen tetroxideN2O4
  1415 Dinitrogen tetroxide (Geo)N2O4
  1416 DinitromethaneCH2N2O4
  1417 m-DinitrobenzeneC6H4N2O4
  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


ΔHf: -68.7 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
p-Nitrobenzoic acid
 H=-68.7 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.39627515 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.39272856 +1  118.9342166 +1    0.0000000 +0     2     1     0
  C     1.39567454 +1  119.5777023 +1   -0.0023467 +1     3     2     1
  C     1.39766263 +1  121.0965874 +1    0.0047963 +1     4     3     2
  C     1.39137431 +1  119.7009896 +1   -0.0003660 +1     5     4     3
  N     1.46143446 +1  119.0774603 +1 -179.9995647 +1     1     2     3
  O     1.21949221 +1  118.0387974 +1 -179.9676825 +1     7     1     2
  O     1.21956556 +1  118.0504079 +1 -179.9909374 +1     7     1     8
  C     1.47645930 +1  121.2492303 +1 -179.9974231 +1     4     3     5
  O     1.20348909 +1  127.6120731 +1 -179.9979682 +1    10     4     3
  O     1.35758958 +1  111.5591252 +1 -179.9933955 +1    10     4    11
  H     1.09532102 +1  120.4669544 +1 -179.9927070 +1     2     1     3
  H     1.09472563 +1  120.1260582 +1 -179.9999924 +1     3     2     4
  H     1.09558206 +1  119.9006347 +1 -179.9986170 +1     5     4     6
  H     1.09546809 +1  120.6916769 +1 -179.9996629 +1     6     5     4
  H     0.99196083 +1  113.2194250 +1  179.9982771 +1    12    10     4