Accuracy

dimethyl oxalate   1378 Dimethyl oxalate

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    #  Species Formula
  1368 Li(I)(H2O)4(+) (BADTUV10) (Geo)H8LiO4
  1369 Li(I)(H2O)4(+) (BADTUV10)H8LiO4
  1370 B(OH)4, anion (Geo)H4BO4
  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 oxalate C4H6O4
  1379 1,3,5,7-TetroxaneC4H8O4
  1380 Dimethyl malonateC5H8O4
  1381 Ethylmalonic acidC5H8O4
  1382 Methylene diacetateC5H8O4
  1383 TetramethoxymethaneC5H12O4
  1384 1,1-DiacetoxyethaneC6H10O4
  1385 Dimethyl methylmalonateC6H10O4
  1386 2,2-DiacetoxypropaneC7H12O4
  1387 Diethyl malonateC7H12O4
  1388 Dimethyl dimethylmalonateC7H12O4


ΔHf: -169.5 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
Dimethyl oxalate
 H=-169.52 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     1.42832065 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.34677410 +1  115.6777083 +1    0.0000000 +0     2     1     0
  C     1.52343615 +1  108.3941587 +1 -177.9266838 +1     3     2     1
  O     1.34724537 +1  108.3040800 +1  -91.1888521 +1     4     3     2
  C     1.42811539 +1  115.7246269 +1 -178.0965243 +1     5     4     3
  O     1.19703286 +1  125.7669542 +1    0.6572088 +1     3     2     1
  O     1.19732549 +1  125.9946292 +1   89.9865476 +1     4     3     2
  H     1.09738995 +1  102.5943553 +1 -179.8873999 +1     1     2     3
  H     1.09559479 +1  110.2239414 +1   61.4091688 +1     1     2     3
  H     1.09540562 +1  110.2870612 +1  -61.1660832 +1     1     2     3
  H     1.09738658 +1  102.6106418 +1 -179.9343653 +1     6     5     4
  H     1.09561523 +1  110.2257221 +1   61.3460139 +1     6     5     4
  H     1.09539325 +1  110.2724342 +1  -61.2108138 +1     6     5     4