PM7 Accuracy

dimethyl phthalate   1396 Dimethyl phthalate

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    #  Species Formula
  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-naphthalenedioneC10H6O4
  1395 Dimethyl isophthalateC10H10O4
  1396 Dimethyl phthalate C10H10O4
  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


DHf: -144.9 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
Dimethyl phthalate
 H=-144.9 HR=NIST
  C     0.01462424  1  -0.03709100  1  -0.05962665  1
  C     1.38309850  1   0.01509528  1   0.20887972  1
  C     2.20780498  1   0.86161019  1  -0.53124109  1
  C     1.65618946  1   1.66892780  1  -1.52544740  1
  C     0.28629057  1   1.63165556  1  -1.77831744  1
  C    -0.53804112  1   0.77743341  1  -1.04699632  1
  C    -0.89309216  1  -0.94331535  1   0.68277095  1
  O    -1.98707855  1  -0.68258377  1   1.10914761  1
  O    -0.32700039  1  -2.17224597  1   0.77154322  1
  C    -1.03429407  1  -3.12747551  1   1.55871101  1
  C     1.96781826  1  -0.79144410  1   1.30499153  1
  O     1.52761643  1  -0.95471438  1   2.41216779  1
  O     3.15351214  1  -1.31703242  1   0.89733961  1
  C     3.85387765  1  -2.08707003  1   1.87012293  1
  H    -1.61334693  1   0.74887767  1  -1.23757699  1
  H     3.28091166  1   0.88765510  1  -0.33292274  1
  H     2.30077027  1   2.33178333  1  -2.10215950  1
  H    -0.14492019  1   2.27124909  1  -2.54813073  1
  H    -2.05799137  1  -3.24893040  1   1.18926501  1
  H    -1.03495567  1  -2.80744841  1   2.60755252  1
  H    -0.44417231  1  -4.04086260  1   1.42218349  1
  H     3.23512654  1  -2.92178357  1   2.21694589  1
  H     4.14327065  1  -1.45023045  1   2.71285149  1
  H     4.72848326  1  -2.44383259  1   1.31448511  1