PM7 Accuracy

dimethyl oxalate   1381 Dimethyl oxalate

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    #  Species Formula
  1371 Li(I)(H2O)4(+) (BADTUV10) (Geo)H8LiO4
  1372 Li(I)(H2O)4(+) (BADTUV10)H8LiO4
  1373 B(OH)4, anion (Geo)H4BO4
  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 oxalate C4H6O4
  1382 1,3,5,7-TetroxaneC4H8O4
  1383 Dimethyl malonateC5H8O4
  1384 Ethylmalonic acidC5H8O4
  1385 Methylene diacetateC5H8O4
  1386 TetramethoxymethaneC5H12O4
  1387 1,1-DiacetoxyethaneC6H10O4
  1388 Dimethyl methylmalonateC6H10O4
  1389 2,2-DiacetoxypropaneC7H12O4
  1390 Diethyl malonateC7H12O4
  1391 Dimethyl dimethylmalonateC7H12O4


DHf: -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