PM7 Accuracy

methylene diacetate   1385 Methylene diacetate

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    #  Species Formula
  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 acidC5H8O4
  1385 Methylene diacetate C5H8O4
  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
  1395 Dimethyl isophthalateC10H10O4


DHf: -186.6 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
Methylene diacetate
 H=-186.58 HR=NIST
  C    -0.07944769  1   0.00822375  1  -0.03195751  1
  C     1.07191943  1   0.17744547  1  -0.95918085  1
  O     1.05411224  1   0.33789698  1  -2.14863233  1
  O     2.23507116  1   0.15999676  1  -0.24112066  1
  C     3.45830447  1   0.18145579  1  -0.94293896  1
  O     3.70870142  1  -1.10817268  1  -1.45546283  1
  C     4.20899574  1  -2.06379409  1  -0.61633866  1
  O     4.56581501  1  -1.81514679  1   0.50247013  1
  C     4.25177654  1  -3.36675668  1  -1.33373326  1
  H    -0.60959981  1  -0.93497144  1  -0.24197937  1
  H     0.22621489  1  -0.01009018  1   1.02721690  1
  H    -0.80555625  1   0.82694878  1  -0.16096446  1
  H     3.41165470  1   0.81057110  1  -1.85116272  1
  H     4.19216982  1   0.48007964  1  -0.17108778  1
  H     4.01470190  1  -3.26764630  1  -2.40582143  1
  H     3.52386479  1  -4.07086875  1  -0.89996766  1
  H     5.24869815  1  -3.82776854  1  -1.24587002  1