PM7 Accuracy

1,3,5-trimethyl-s-triazine-2,4,6-trione   1367 1,3,5-Trimethyl-s-triazine-2,4,6-trione

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    #  Species Formula
  1357 8-Hydroxy-5-nitroquinolineC9H6N2O3
  1358 Pro-pro (Geo)C10H16N2O3
  1359 PRO-PROC10H16N2O3
  1360 Val-val (Geo)C10H20N2O3
  1361 VAL-VALC10H20N2O3
  1362 Ile-ile (Geo)C12H24N2O3
  1363 ILE-ILEC12H24N2O3
  1364 LEU-LEUC12H24N2O3
  1365 Naphthoquinone dye (Torsion angle) (Geo)C21H20N2O3
  1366 1,3,5-Triazine-2,4,6(1H,3H,5H)-trioneC3H3N3O3
  1367 1,3,5-Trimethyl-s-triazine-2,4,6-trione C6H9N3O3
  1368 2,4,6-Trimethoxy-s-triazineC6H9N3O3
  1369 Li(+)(H2O)4H8LiO4
  1370 Li(+)(H2O)4 (Geo)H8LiO4
  1371 Li(I)(H2O)4(+) (BADTUV10) (Geo)H8LiO4
  1372 Li(I)(H2O)4(+) (BADTUV10)H8LiO4
  1373 B(OH)4, anion (Geo)H4BO4
  1374 TetrahydroxydiboraneH4B2O4
  1375 Oxalic acidC2H2O4
  1376 Formic acid, dimer (Geo)C2H4O4
  1377 Formic acid, dimerC2H4O4


DHf: -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