Accuracy

ethylmalonic acid   1381 Ethylmalonic acid

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    #  Species Formula
  1371 TetrahydroxydiboraneH4B2O4
  1372 Oxalic acidC2H2O4
  1373 Formic acid, dimer (Geo)C2H4O4
  1374 Formic acid, dimerC2H4O4
  1375 DioxybismethanolC2H6O4
  1376 (C2H4)BO4H2, anion (Geo)H6BC2O4
  1377 1,4-Dioxan-2,5-dioneC4H4O4
  1378 Dimethyl oxalateC4H6O4
  1379 1,3,5,7-TetroxaneC4H8O4
  1380 Dimethyl malonateC5H8O4
  1381 Ethylmalonic acid C5H8O4
  1382 Methylene diacetateC5H8O4
  1383 TetramethoxymethaneC5H12O4
  1384 1,1-DiacetoxyethaneC6H10O4
  1385 Dimethyl methylmalonateC6H10O4
  1386 2,2-DiacetoxypropaneC7H12O4
  1387 Diethyl malonateC7H12O4
  1388 Dimethyl dimethylmalonateC7H12O4
  1389 3,5,7,9-TetraoxyundecaneC7H16O4
  1390 12-Crown-4C8H16O4
  1391 5,8-Dihydroxy-1,4-naphthalenedioneC10H6O4


ΔHf: -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