PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

5,8-dihydroxy-1,4-naphthalenedione   1393 5,8-Dihydroxy-1,4-naphthalenedione

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    #  Species Formula
  1383 Ethylmalonic acidC5H8O4
  1384 Methylene diacetateC5H8O4
  1385 TetramethoxymethaneC5H12O4
  1386 1,1-DiacetoxyethaneC6H10O4
  1387 Dimethyl methylmalonateC6H10O4
  1388 2,2-DiacetoxypropaneC7H12O4
  1389 Diethyl malonateC7H12O4
  1390 Dimethyl dimethylmalonateC7H12O4
  1391 3,5,7,9-TetraoxyundecaneC7H16O4
  1392 12-Crown-4C8H16O4
  1393 5,8-Dihydroxy-1,4-naphthalenedione C10H6O4
  1394 Dimethyl isophthalateC10H10O4
  1395 Dimethyl phthalateC10H10O4
  1396 1-(tert-Butyldioxy)-3-propoxy-2-propanolC10H22O4
  1397 Be(II)O4 (ACACBE02) (Geo)H14BeC10O4
  1398 Be(II)O4 (ACACBE02)H14BeC10O4
  1399 Benzal diacetateC11H12O4
  1400 1-Butoxy-1-tert-butyldioxy-2-propanolC11H24O4
  1401 1,1-Ethanediol, 2-phenyl-, diacetateC12H14O4
  1402 Benzyl diacetateC12H14O4
  1403 Be(II)O4(2-) (YAMBOD) (Geo)H8BeC12O4


ΔHf: -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     1.42919347 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.36456340 +1  119.2847931 +1    0.0000000 +0     2     1     0
  C     1.42912549 +1  119.3531005 +1   -0.0011314 +1     3     2     1
  C     1.38831896 +1  121.7281966 +1   -0.0098501 +1     4     3     2
  C     1.42081285 +1  118.9390354 +1    0.0021555 +1     5     4     3
  C     1.46428852 +1  120.0967845 +1 -179.9938717 +1     6     5     4
  C     1.48249278 +1  118.3119953 +1   -0.0221563 +1     7     6     5
  C     1.33537102 +1  121.5843338 +1   -0.0031397 +1     8     7     6
  C     1.46429133 +1  120.9759252 +1  179.9982004 +1     5     4     6
  O     1.21955760 +1  121.7858112 +1 -179.9988846 +1     7     6     8
  O     1.21967097 +1  121.8096405 +1   -0.0025262 +1    10     5     4
  O     1.34006499 +1  114.2294076 +1 -179.9970425 +1     1     2     3
  O     1.34011223 +1  114.2705806 +1  179.9958691 +1     4     3     5
  H     1.09173752 +1  118.2006873 +1  179.9979154 +1     2     1     3
  H     1.09191217 +1  122.4137391 +1  179.9997969 +1     3     2     4
  H     1.09308186 +1  115.1370595 +1 -179.9983691 +1     8     7     9
  H     1.09318336 +1  123.2749535 +1 -179.9955372 +1     9     8     7
  H     1.01713540 +1  110.9182973 +1 -179.9925857 +1    13     1     2
  H     1.01719003 +1  110.9130734 +1  179.9966364 +1    14     4     3