PM7 Accuracy

1,3,5-trioxane   1318 1,3,5-Trioxane

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    #  Species Formula
  1308 Li(+)(H2O)3 (Geo)H6LiO3
  1309 Be3O3Be3O3
  1310 Boric acid, B(OH)3 (Geo)H3BO3
  1311 TrihydroxyboraneH3BO3
  1312 B2O3B2O3
  1313 Diboron trioxide (Geo)B2O3
  1314 B2O3H2H2B2O3
  1315 B2O3H2 (Geo)H2B2O3
  1316 B3O3H3H3B3O3
  1317 B3O3H3 (Geo)H3B3O3
  1318 1,3,5-Trioxane C3H6O3
  1319 Methyl hydroxyacetateC3H6O3
  1320 GlycerolC3H8O3
  1321 Trimethoxyborane (Geo)H9BC3O3
  1322 TrimethoxyboraneH9BC3O3
  1323 Maleic anhydrideC4H2O3
  1324 Acetic anhydrideC4H6O3
  1325 TrimethoxymethaneC4H10O3
  1326 2,5,8-TrioxanonaneC6H14O3
  1327 TriethoxyboraneH15BC6O3
  1328 m-Salicylic acidC7H6O3


DHf: -111.3 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
1,3,5-Trioxane
 H=-111.32 HR=NIST
  O    -0.00666142  1  -0.05573144  1  -0.04525267  1
  C     1.40222272  1   0.00628430  1   0.01342685  1
  O     1.85871252  1   1.33613513  1   0.04045411  1
  C     1.48579825  1   2.07110313  1  -1.10479766  1
  O     0.27660117  1   1.60215423  1  -1.65997010  1
  C    -0.59151630  1   1.04750532  1  -0.70344648  1
  H     1.80679528  1  -0.53672774  1  -0.85794374  1
  H     1.67761067  1  -0.40887822  1   0.99966900  1
  H     2.22990427  1   1.93622723  1  -1.90832389  1
  H     1.36924208  1   3.10828830  1  -0.74483358  1
  H    -0.86859552  1   1.79381487  1   0.06038051  1
  H    -1.43026097  1   0.63393060  1  -1.29107709  1