Accuracy

2,4,6-trimethoxy-s-triazine   1365 2,4,6-Trimethoxy-s-triazine

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    #  Species Formula
  1355 Pro-pro (Geo)C10H16N2O3
  1356 PRO-PROC10H16N2O3
  1357 Val-val (Geo)C10H20N2O3
  1358 VAL-VALC10H20N2O3
  1359 Ile-ile (Geo)C12H24N2O3
  1360 ILE-ILEC12H24N2O3
  1361 LEU-LEUC12H24N2O3
  1362 Naphthoquinone dye (Torsion angle) (Geo)C21H20N2O3
  1363 1,3,5-Triazine-2,4,6(1H,3H,5H)-trioneC3H3N3O3
  1364 1,3,5-Trimethyl-s-triazine-2,4,6-trioneC6H9N3O3
  1365 2,4,6-Trimethoxy-s-triazine C6H9N3O3
  1366 Li(+)(H2O)4H8LiO4
  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


ΔHf: -70.1 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
2,4,6-Trimethoxy-s-triazine
 H=-70.1 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     1.36283739 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.36398250 +1  114.6555872 +1    0.0000000 +0     2     1     0
  N     1.36276547 +1  125.3386523 +1    0.0255361 +1     3     2     1
  C     1.36383601 +1  114.6727926 +1    0.0008050 +1     4     3     2
  N     1.36283327 +1  125.3229932 +1   -0.0464162 +1     5     4     3
  O     1.33604553 +1  120.8411408 +1  179.9765165 +1     1     2     3
  C     1.43745702 +1  115.6300627 +1   -0.1366964 +1     7     1     2
  O     1.33606671 +1  113.8221165 +1  179.9864792 +1     3     2     4
  C     1.43753390 +1  115.6188559 +1  179.9527706 +1     9     3     2
  O     1.33602699 +1  113.8459140 +1  179.9977417 +1     5     4     6
  C     1.43748271 +1  115.6104031 +1  179.9646072 +1    11     5     4
  H     1.09594076 +1  110.7143947 +1  -61.3817358 +1     8     7     1
  H     1.09594533 +1  110.7567375 +1  122.5603607 +1     8     7    13
  H     1.09696825 +1  101.2247853 +1  118.7462296 +1     8     7    14
  H     1.09599856 +1  110.7578237 +1   61.0492729 +1    10     9     3
  H     1.09589991 +1  110.7125422 +1 -122.5559076 +1    10     9    16
  H     1.09698353 +1  101.2323713 +1 -118.7326177 +1    10     9    17
  H     1.09597402 +1  110.7565793 +1   61.0330606 +1    12    11     5
  H     1.09586987 +1  110.7141047 +1 -122.5484569 +1    12    11    19
  H     1.09696828 +1  101.2382044 +1 -118.7377243 +1    12    11    20