Accuracy

1,3,5-trimethyl-s-triazine-2,4,6-trione   1364 1,3,5-Trimethyl-s-triazine-2,4,6-trione

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    #  Species Formula
  1354 8-Hydroxy-5-nitroquinolineC9H6N2O3
  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-trione C6H9N3O3
  1365 2,4,6-Trimethoxy-s-triazineC6H9N3O3
  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


ΔHf: -141.1 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
1,3,5-Trimethyl-s-triazine-2,4,6-trione
 H=-141.1 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  N     1.40307741 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.40554963 +1  124.6238850 +1    0.0000000 +0     2     1     0
  N     1.40325623 +1  115.3289803 +1    0.0071335 +1     3     2     1
  C     1.40530079 +1  124.6796439 +1   -0.0559257 +1     4     3     2
  N     1.40310230 +1  115.3475280 +1   -0.0446516 +1     5     4     3
  O     1.20877888 +1  122.7215169 +1  179.9698106 +1     1     2     3
  C     1.47214117 +1  118.7400650 +1 -179.9913722 +1     6     5     4
  O     1.20882812 +1  121.9357430 +1  179.9848678 +1     3     2     4
  C     1.47217482 +1  118.7016843 +1 -179.9151813 +1     2     1     3
  O     1.20873283 +1  121.9397683 +1 -179.9809969 +1     5     4     6
  C     1.47228862 +1  118.6774922 +1 -179.9853425 +1     4     3     5
  H     1.10606413 +1  110.1592046 +1 -120.3096488 +1     8     6     5
  H     1.10605622 +1  110.1418691 +1 -119.4411783 +1     8     6    13
  H     1.10674407 +1  110.7920181 +1 -120.2652555 +1     8     6    14
  H     1.10603016 +1  110.1505141 +1  119.8161202 +1    10     2     1
  H     1.10612068 +1  110.1445796 +1  119.4430550 +1    10     2    16
  H     1.10673020 +1  110.7989246 +1  120.2585356 +1    10     2    17
  H     1.10605251 +1  110.1489127 +1 -120.3002862 +1    12     4     3
  H     1.10605295 +1  110.1417772 +1 -119.4575587 +1    12     4    19
  H     1.10673456 +1  110.8004726 +1 -120.2626686 +1    12     4    20