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1,4-dioxan-2,5-dione   1377 1,4-Dioxan-2,5-dione

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    #  Species Formula
  1367 Li(+)(H2O)4 (Geo)H8LiO4
  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-dione C4H4O4
  1378 Dimethyl oxalateC4H6O4
  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


ΔHf: -146.3 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
1,4-Dioxan-2,5-dione
 H=-146.3 HR=NIST
  C    -0.00471345 +1  -0.00163024 +1  -0.03243798 +1
  O     1.35922146 +1   0.03783921 +1   0.08088907 +1
  C     2.01862825 +1   1.18923358 +1  -0.40754452 +1
  C     1.32744076 +1   2.46947764 +1  -0.02010573 +1
  O    -0.03818548 +1   2.43073017 +1   0.07366288 +1
  C    -0.69091152 +1   1.27998793 +1  -0.42593331 +1
  O    -0.54299039 +1  -1.04639013 +1   0.19923479 +1
  O     1.86256310 +1   3.51329373 +1   0.22240432 +1
  H     2.13802853 +1   1.10322561 +1  -1.50603729 +1
  H     3.02540066 +1   1.11124163 +1   0.06535001 +1
  H    -1.70379523 +1   1.35682812 +1   0.03470004 +1
  H    -0.79638920 +1   1.36818454 +1  -1.52590563 +1