PM7 Accuracy

4-nitrocatechol   1415 4-Nitrocatechol

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    #  Species Formula
  1405 Be(II)O4(2-) (YAMBOD)H8BeC12O4
  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-Nitrocatechol C6H5NO4
  1416 p-Nitrobenzoic acidC7H5NO4
  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


DHf: -69.3 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
4-Nitrocatechol
 H=-69.31 HR=NIST
  C     0.00192483  1   0.00171221  1   0.00170745  1
  C     1.39764234  1   0.00359816  1   0.03102467  1
  C     2.10173864  1   1.20989941  1   0.03318211  1
  C     1.37174478  1   2.39060651  1   0.00477524  1
  C    -0.75250164  1   1.19137703  1  -0.02777062  1
  C    -0.04297308  1   2.36893944  1  -0.02837559  1
  O    -0.50111312  1   3.64705130  1  -0.06894221  1
  O     1.97453808  1   3.58681768  1   0.00449852  1
  N    -0.70707374  1  -1.26494684  1  -0.00024969  1
  O    -0.05126903  1  -2.29457601  1   0.02090962  1
  O    -1.92781697  1  -1.24279804  1  -0.02470340  1
  H     1.94615713  1  -0.94627071  1   0.05184624  1
  H     3.18948180  1   1.23173852  1   0.05638384  1
  H    -1.84302571  1   1.15928429  1  -0.05119657  1
  H    -1.48798673  1   3.70018373  1  -0.02708604  1
  H     1.33432683  1   4.35348469  1  -0.00266859  1