PM7 Accuracy

p-nitrobenzoic acid   1416 p-Nitrobenzoic acid

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    #  Species Formula
  1406 1,4,9,10-AnthracenetetroneC14H6O4
  1407 1,4-Dihydroxy-9,10-anthracenedioneC14H8O4
  1408 Diphenyl oxalateC14H10O4
  1409 Dimethyl naphthalene-2,6-dicarboxylateC14H12O4
  1410 Li(I)2(Cp)2O4 (DANPOX) (Geo)C16H26Li2O4
  1411 Li(I)2(Cp)2O4 (DANPOX)C16H26Li2O4
  1412 p-Diacetylbenzene diethyl ketalC18H30O4
  1413 Aspartic acidC4H7NO4
  1414 Glutamic acidC5H9NO4
  1415 4-NitrocatecholC6H5NO4
  1416 p-Nitrobenzoic acid C7H5NO4
  1417 Dinitrogen tetroxideN2O4
  1418 Dinitrogen tetroxide (Geo)N2O4
  1419 DinitromethaneCH2N2O4
  1420 m-DinitrobenzeneC6H4N2O4
  1421 o-DinitrobenzeneC6H4N2O4
  1422 p-DinitrobenzeneC6H4N2O4
  1423 2,4-DinitrotolueneC7H6N2O4
  1424 DinitrophenylmethaneC7H6N2O4
  1425 N,N'-Bis(m-methoxyphenyl) terephthalamideC22H20N2O4
  1426 N,N'-Bis(o-methoxyphenyl) terephthalamideC22H20N2O4


DHf: -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