Accuracy

1,4,9,10-anthracenetetrone   1403 1,4,9,10-Anthracenetetrone

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    #  Species Formula
  1393 Dimethyl phthalateC10H10O4
  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-Anthracenetetrone C14H6O4
  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 acidC7H5NO4


ΔHf: -50.0 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
1,4,9,10-Anthracenetetrone
 H=-49.95 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.39807399 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.39135212 +1  120.2244411 +1    0.0000000 +0     2     1     0
  C     1.39801891 +1  120.2375450 +1   -0.1297434 +1     3     2     1
  C     1.39004180 +1  119.5740318 +1   -0.5007382 +1     4     3     2
  C     1.40103978 +1  120.1862307 +1    0.5857902 +1     5     4     3
  C     1.48391941 +1  119.9013804 +1  178.9544021 +1     6     5     4
  C     1.49008529 +1  114.7975757 +1   22.6596011 +1     7     6     5
  C     1.33963051 +1  121.1614048 +1  -23.0147941 +1     8     7     6
  C     1.48405588 +1  119.8944268 +1  179.0076959 +1     5     4     6
  C     1.49244866 +1  118.5174242 +1 -179.9014744 +1     8     7     9
  C     1.48867464 +1  114.4725236 +1  155.7154001 +1    11     8     7
  C     1.33511815 +1  120.5111169 +1   24.1752833 +1    12    11     8
  C     1.49245047 +1  120.3259015 +1 -179.8336893 +1     9     8     7
  O     1.20298375 +1  122.9584007 +1 -178.4014077 +1     7     6     8
  O     1.20311590 +1  122.8963863 +1  -23.2479661 +1    10     5     4
  O     1.20144746 +1  122.7547905 +1  177.5697737 +1    11     8    12
  O     1.20149430 +1  122.7397692 +1 -153.4829861 +1    14     9     8
  H     1.09305235 +1  120.4570482 +1 -179.2480915 +1     1     2     3
  H     1.09011874 +1  119.6702818 +1  179.7963243 +1     2     1     3
  H     1.09008338 +1  120.1013405 +1  179.8244506 +1     3     2     4
  H     1.09309232 +1  120.4603601 +1  179.6963117 +1     4     3     5
  H     1.09013924 +1  115.5038924 +1  178.6637348 +1    12    11    13
  H     1.09018611 +1  123.9330133 +1  178.5607162 +1    13    12    11