PM7 Accuracy

ethylmalonic acid   1384 Ethylmalonic acid

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    #  Species Formula
  1374 TetrahydroxydiboraneH4B2O4
  1375 Oxalic acidC2H2O4
  1376 Formic acid, dimer (Geo)C2H4O4
  1377 Formic acid, dimerC2H4O4
  1378 DioxybismethanolC2H6O4
  1379 (C2H4)BO4H2, anion (Geo)H6BC2O4
  1380 1,4-Dioxan-2,5-dioneC4H4O4
  1381 Dimethyl oxalateC4H6O4
  1382 1,3,5,7-TetroxaneC4H8O4
  1383 Dimethyl malonateC5H8O4
  1384 Ethylmalonic acid C5H8O4
  1385 Methylene diacetateC5H8O4
  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


DHf: -203.1 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
Ethylmalonic acid
 H=-203.1 HR=NIST
  C    -0.09346161  1  -0.00842702  1   0.07512103  1
  O     3.36097557  1   1.73165738  1   0.54599414  1
  C     2.51735676  1   0.98360405  1   1.29859468  1
  O     2.83784888  1  -0.09135254  1   1.72504648  1
  C     1.19105152  1   1.68329314  1   1.44797326  1
  C     1.38347137  1   3.16232341  1   1.66546090  1
  O     0.96276806  1   4.07988332  1   1.01759833  1
  O     2.10085058  1   3.36232893  1   2.79959008  1
  H    -0.72997634  1  -0.31178986  1   0.91519558  1
  H     0.76184274  1  -0.69710888  1   0.05407046  1
  H    -0.66692161  1  -0.17698731  1  -0.84514438  1
  H     4.25127810  1   1.31802018  1   0.41481751  1
  C     0.34629778  1   1.44689515  1   0.18489432  1
  H     0.66372816  1   1.25077402  1   2.34636082  1
  H     2.27885171  1   4.31691219  1   2.99424445  1
  H    -0.54052918  1   2.11563142  1   0.20101146  1
  H     0.91924524  1   1.75300280  1  -0.71614195  1