PM7 Accuracy

1,4-dihydroxy-9,10-anthracenedione   1407 1,4-Dihydroxy-9,10-anthracenedione

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    #  Species Formula
  1397 1-(tert-Butyldioxy)-3-propoxy-2-propanolC10H22O4
  1398 Be(II)O4 (ACACBE02) (Geo)H14BeC10O4
  1399 Be(II)O4 (ACACBE02)H14BeC10O4
  1400 Benzal diacetateC11H12O4
  1401 1-Butoxy-1-tert-butyldioxy-2-propanolC11H24O4
  1402 1,1-Ethanediol, 2-phenyl-, diacetateC12H14O4
  1403 Benzyl diacetateC12H14O4
  1404 Be(II)O4(2-) (YAMBOD) (Geo)H8BeC12O4
  1405 Be(II)O4(2-) (YAMBOD)H8BeC12O4
  1406 1,4,9,10-AnthracenetetroneC14H6O4
  1407 1,4-Dihydroxy-9,10-anthracenedione C14H8O4
  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 acidC7H5NO4
  1417 Dinitrogen tetroxideN2O4


DHf: -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     1.39734342  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.39126258  1  120.1674323  1    0.0000000  0     2     1     0
  C     1.39724023  1  120.1793829  1    0.0270713  1     3     2     1
  C     1.39160626  1  119.8417488  1   -0.0266992  1     4     3     2
  C     1.39166878  1  119.8598830  1   -0.0069426  1     1     2     3
  C     1.47817562  1  119.4692507  1  179.9752204  1     6     1     2
  C     1.45269369  1  118.4042131  1  179.9834394  1     7     6     1
  C     1.41009666  1  121.0363397  1    0.0148290  1     8     7     6
  C     1.45271574  1  121.0364864  1    0.0199850  1     9     8     7
  C     1.38643545  1  119.3184502  1 -179.9904934  1     8     7     9
  C     1.43138937  1  120.7582391  1  179.9947171  1    11     8     7
  C     1.36740517  1  119.6044890  1    0.0010048  1    12    11     8
  C     1.38640494  1  119.6286041  1  179.9874008  1     9     8    10
  O     1.22525733  1  122.5831136  1  179.9837890  1     7     6     8
  O     1.22536231  1  119.0020344  1 -179.9832473  1    10     9     8
  O     1.33088340  1  122.3537214  1 -179.9964789  1    11     8    12
  O     1.33098532  1  122.3350390  1  179.9811246  1    14     9     8
  H     1.09408662  1  120.4936659  1  179.9936125  1     1     2     6
  H     1.08998679  1  119.6943781  1 -179.9896497  1     2     1     3
  H     1.08999803  1  120.1280973  1  179.9976294  1     3     2     4
  H     1.09409074  1  120.4993083  1  179.9765883  1     4     3     5
  H     1.09085400  1  118.1355827  1 -179.9970771  1    12    11    13
  H     1.09081071  1  122.2534418  1 -179.9936587  1    13    12    11
  H     1.02608363  1  113.6196133  1    0.0036571  1    17    11     8
  H     1.02603345  1  113.6170120  1   -0.0045749  1    18    14     9