Accuracy

benzal diacetate   1397 Benzal diacetate

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    #  Species Formula
  1387 Diethyl malonateC7H12O4
  1388 Dimethyl dimethylmalonateC7H12O4
  1389 3,5,7,9-TetraoxyundecaneC7H16O4
  1390 12-Crown-4C8H16O4
  1391 5,8-Dihydroxy-1,4-naphthalenedioneC10H6O4
  1392 Dimethyl isophthalateC10H10O4
  1393 Dimethyl phthalateC10H10O4
  1394 1-(tert-Butyldioxy)-3-propoxy-2-propanolC10H22O4
  1395 Be(II)O4 (ACACBE02) (Geo)H14BeC10O4
  1396 Be(II)O4 (ACACBE02)H14BeC10O4
  1397 Benzal diacetate C11H12O4
  1398 1-Butoxy-1-tert-butyldioxy-2-propanolC11H24O4
  1399 1,1-Ethanediol, 2-phenyl-, diacetateC12H14O4
  1400 Benzyl diacetateC12H14O4
  1401 Be(II)O4(2-) (YAMBOD) (Geo)H8BeC12O4
  1402 Be(II)O4(2-) (YAMBOD)H8BeC12O4
  1403 1,4,9,10-AnthracenetetroneC14H6O4
  1404 1,4-Dihydroxy-9,10-anthracenedioneC14H8O4
  1405 Diphenyl oxalateC14H10O4
  1406 Dimethyl naphthalene-2,6-dicarboxylateC14H12O4
  1407 Li(I)2(Cp)2O4 (DANPOX) (Geo)C16H26Li2O4


ΔHf: -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