PM7 Accuracy

benzal diacetate   1400 Benzal diacetate

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    #  Species Formula
  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 phthalateC10H10O4
  1397 1-(tert-Butyldioxy)-3-propoxy-2-propanolC10H22O4
  1398 Be(II)O4 (ACACBE02) (Geo)H14BeC10O4
  1399 Be(II)O4 (ACACBE02)H14BeC10O4
  1400 Benzal diacetate C11H12O4
  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-anthracenedioneC14H8O4
  1408 Diphenyl oxalateC14H10O4
  1409 Dimethyl naphthalene-2,6-dicarboxylateC14H12O4
  1410 Li(I)2(Cp)2O4 (DANPOX) (Geo)C16H26Li2O4


DHf: -167.3 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
Benzal diacetate
 H=-167.3 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.39460569  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.39318381  1  120.0851764  1    0.0000000  0     2     1     0
  C     1.39418697  1  119.4580672  1   -0.1555231  1     3     2     1
  C     1.39432158  1  120.6894108  1    0.1046094  1     4     3     2
  C     1.39402817  1  120.2258776  1    0.0823092  1     1     2     3
  C     1.50022965  1  119.6395267  1 -179.0569241  1     4     3     5
  O     1.42441841  1  107.5372863  1  119.4154797  1     7     4     3
  C     1.36508259  1  118.2364785  1 -113.2721433  1     8     7     4
  C     1.48740420  1  109.1698913  1 -172.2347701  1     9     8     7
  O     1.42134762  1  105.1857503  1  111.5804573  1     7     4     8
  C     1.36415651  1  118.0058489  1 -177.0050438  1    11     7     4
  C     1.48940945  1  108.9041811  1  176.2857718  1    12    11     7
  O     1.20122729  1  122.1265229  1 -178.4559759  1     9     8    10
  O     1.20054187  1  122.7018203  1  179.3969972  1    12    11    13
  H     1.08851089  1  119.8789449  1  179.9262110  1     1     2     6
  H     1.08815244  1  120.0059299  1 -179.9384048  1     2     1     3
  H     1.08995194  1  120.0488792  1 -179.5671592  1     3     2     4
  H     1.09024723  1  119.6799279  1 -179.9343231  1     5     4     3
  H     1.08759874  1  120.1235983  1  179.9430678  1     6     1     2
  H     1.11217435  1  116.8168685  1  122.1862766  1     7     4    11
  H     1.10401205  1  110.0120154  1   97.3448715  1    10     9     8
  H     1.10107010  1  110.9510798  1  118.9624760  1    10     9    22
  H     1.10140434  1  112.5194153  1  121.6485987  1    10     9    23
  H     1.10105597  1  110.8996686  1  158.0574145  1    13    12    11
  H     1.10200252  1  110.6584870  1  119.5399607  1    13    12    25
  H     1.10192479  1  112.1096675  1  119.2325910  1    13    12    26