Accuracy

1,4-dihydroxy-9,10-anthracenedione   1404 1,4-Dihydroxy-9,10-anthracenedione

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    #  Species Formula
  1394 1-(tert-Butyldioxy)-3-propoxy-2-propanolC10H22O4
  1395 Be(II)O4 (ACACBE02) (Geo)H14BeC10O4
  1396 Be(II)O4 (ACACBE02)H14BeC10O4
  1397 Benzal diacetateC11H12O4
  1398 1-Butoxy-1-tert-butyldioxy-2-propanolC11H24O4
  1399 1,1-Ethanediol, 2-phenyl-, diacetateC12H14O4
  1400 Benzyl diacetateC12H14O4
  1401 Be(II)O4(2-) (YAMBOD) (Geo)H8BeC12O4
  1402 Be(II)O4(2-) (YAMBOD)H8BeC12O4
  1403 1,4,9,10-AnthracenetetroneC14H6O4
  1404 1,4-Dihydroxy-9,10-anthracenedione C14H8O4
  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 acidC7H5NO4
  1414 Dinitrogen tetroxideN2O4


ΔHf: -112.6 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
1,4-Dihydroxy-9,10-anthracenedione
 H=-112.6 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.39629661 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.39201650 +1  120.1164923 +1    0.0000000 +0     2     1     0
  C     1.39633247 +1  120.1409493 +1    0.1360796 +1     3     2     1
  C     1.39305458 +1  119.8182738 +1   -0.0524224 +1     4     3     2
  C     1.39299778 +1  119.8338296 +1   -0.0606631 +1     1     2     3
  C     1.47939166 +1  119.2302143 +1  179.8645901 +1     6     1     2
  C     1.46447417 +1  118.7318723 +1  179.9065436 +1     7     6     1
  C     1.41992408 +1  120.5580714 +1   -0.0402802 +1     8     7     6
  C     1.46452682 +1  120.5716596 +1    0.0756708 +1     9     8     7
  C     1.38951709 +1  120.5479554 +1  179.9802327 +1     8     7     9
  C     1.42805016 +1  121.8172196 +1  179.9451522 +1    11     8     7
  C     1.36484842 +1  119.2857632 +1   -0.0106089 +1    12    11     8
  C     1.38952242 +1  118.8834107 +1 -179.9985038 +1     9     8    10
  O     1.22170099 +1  119.9587961 +1  179.9739951 +1     7     6     8
  O     1.22181297 +1  121.3185504 +1 -179.9385823 +1    10     9     8
  O     1.34015515 +1  124.0632888 +1  179.9910168 +1    11     8    12
  O     1.34023864 +1  124.0696766 +1  179.9649482 +1    14     9     8
  H     1.09408664 +1  120.5080009 +1  179.9809048 +1     1     2     6
  H     1.08981680 +1  119.7538294 +1 -179.9602077 +1     2     1     3
  H     1.08984297 +1  120.1161926 +1  179.9658678 +1     3     2     4
  H     1.09411503 +1  120.5095690 +1  179.9692650 +1     4     3     5
  H     1.09119409 +1  118.2358372 +1 -179.9931443 +1    12    11    13
  H     1.09125609 +1  122.4836923 +1 -179.9751177 +1    13    12    11
  H     1.01850629 +1  110.8623090 +1    0.0153763 +1    17    11     8
  H     1.01850006 +1  110.8343238 +1   -0.0018865 +1    18    14     9