PM7 Accuracy

1,1-ethanediol, 2-phenyl-, diacetate   1402 1,1-Ethanediol, 2-phenyl-, diacetate

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    #  Species Formula
  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 diacetateC11H12O4
  1401 1-Butoxy-1-tert-butyldioxy-2-propanolC11H24O4
  1402 1,1-Ethanediol, 2-phenyl-, diacetate C12H14O4
  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
  1411 Li(I)2(Cp)2O4 (DANPOX)C16H26Li2O4
  1412 p-Diacetylbenzene diethyl ketalC18H30O4


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
1,1-Ethanediol, 2-phenyl-, diacetate
 H=-167.3 HR=NIST
  C     0.00221493  1   0.10004235  1  -0.02235879  1
  C     1.26612068  1  -0.11487094  1  -0.57674587  1
  C     2.18468137  1   0.93019060  1  -0.64172347  1
  C     1.84462228  1   2.19163104  1  -0.15482014  1
  C     0.58546147  1   2.40469684  1   0.40349617  1
  C    -0.33496140  1   1.36127612  1   0.47195644  1
  C    -0.98353640  1  -1.02178279  1   0.04661393  1
  C    -0.68625677  1  -1.90714934  1   1.26041658  1
  O    -1.29455804  1  -1.22948541  1   2.36001568  1
  O    -1.39209735  1  -3.10901572  1   1.05621707  1
  C    -0.79754758  1  -4.28453206  1   1.46171531  1
  C    -1.83680746  1  -5.33556828  1   1.60486509  1
  O     0.39173963  1  -4.37071222  1   1.59024366  1
  C    -1.53453195  1  -1.90006251  1   3.51260598  1
  O    -1.27744884  1  -3.06602812  1   3.66566259  1
  C    -2.14142981  1  -0.97180147  1   4.50884518  1
  H     1.53568612  1  -1.09906620  1  -0.95619109  1
  H     3.16942147  1   0.75996673  1  -1.07302495  1
  H     2.56067430  1   3.00818098  1  -0.20893350  1
  H     0.31999319  1   3.38697203  1   0.78826702  1
  H    -1.31407958  1   1.52741115  1   0.91671905  1
  H    -2.02912804  1  -0.64824742  1   0.10483065  1
  H    -0.95601400  1  -1.64458785  1  -0.87416771  1
  H     0.38593716  1  -2.07093459  1   1.49828442  1
  H    -2.10362223  1  -5.43661738  1   2.67474251  1
  H    -2.76255845  1  -5.09561774  1   1.06086773  1
  H    -1.46981561  1  -6.31300790  1   1.25866807  1
  H    -3.07499933  1  -1.39445625  1   4.91212659  1
  H    -1.45555506  1  -0.82045730  1   5.35889478  1
  H    -2.37008991  1   0.01785222  1   4.08367700  1