PM7 Accuracy

5,8-dihydroxy-1,4-naphthalenedione   1394 5,8-Dihydroxy-1,4-naphthalenedione

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    #  Species Formula
  1384 Ethylmalonic acidC5H8O4
  1385 Methylene diacetateC5H8O4
  1386 TetramethoxymethaneC5H12O4
  1387 1,1-DiacetoxyethaneC6H10O4
  1388 Dimethyl methylmalonateC6H10O4
  1389 2,2-DiacetoxypropaneC7H12O4
  1390 Diethyl malonateC7H12O4
  1391 Dimethyl dimethylmalonateC7H12O4
  1392 3,5,7,9-TetraoxyundecaneC7H16O4
  1393 12-Crown-4C8H16O4
  1394 5,8-Dihydroxy-1,4-naphthalenedione C10H6O4
  1395 Dimethyl isophthalateC10H10O4
  1396 Dimethyl phthalateC10H10O4
  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


DHf: -119.3 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
5,8-Dihydroxy-1,4-naphthalenedione
 H=-119.3 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.43308253  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.36717816  1  119.6451253  1    0.0000000  0     2     1     0
  C     1.43326971  1  119.6018826  1    0.0115511  1     3     2     1
  C     1.38488957  1  120.6331059  1    0.0083477  1     4     3     2
  C     1.40972920  1  119.7507504  1   -0.0008780  1     5     4     3
  C     1.45125100  1  120.6121055  1  179.9937370  1     6     5     4
  C     1.48188175  1  117.9106915  1   -0.0071153  1     7     6     5
  C     1.33985738  1  121.4801669  1    0.0062804  1     8     7     6
  C     1.45132145  1  119.6392720  1 -179.9928269  1     5     4     6
  O     1.22362212  1  119.0973856  1 -179.9960725  1     7     6     8
  O     1.22377068  1  119.1007362  1    0.0096740  1    10     5     4
  O     1.32997327  1  117.3309130  1  179.9861574  1     1     2     3
  O     1.33006634  1  117.3159770  1  179.9995431  1     4     3     5
  H     1.09151469  1  118.0827296  1 -179.9936337  1     2     1     3
  H     1.09133780  1  122.3083392  1  179.9946517  1     3     2     4
  H     1.09265560  1  115.4229011  1 -179.9981396  1     8     7     9
  H     1.09267865  1  123.0870484  1 -179.9974582  1     9     8     7
  H     1.02608518  1  113.7725809  1 -179.9982759  1    13     1     2
  H     1.02602677  1  113.7618420  1 -179.9939328  1    14     4     3