PM7 Accuracy

1,3,5-triazine-2,4,6(1h,3h,5h)-trione   1366 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione

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    #  Species Formula
  1356 ALA-ALAC6H12N2O3
  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)-trione C3H3N3O3
  1367 1,3,5-Trimethyl-s-triazine-2,4,6-trioneC6H9N3O3
  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


DHf: -134.8 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-Triazine-2,4,6(1H,3H,5H)-trione
 H=-134.81 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  N     1.40524291  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.40480837  1  124.2982221  1    0.0000000  0     2     1     0
  N     1.40525617  1  115.6887253  1    0.0053059  1     3     2     1
  C     1.40479979  1  124.2948188  1    0.0065491  1     4     3     2
  N     1.40476922  1  115.7315242  1   -0.0120493  1     1     2     3
  O     1.20608326  1  122.1182572  1  179.9995289  1     1     2     6
  O     1.20595625  1  122.2014615  1  179.9965942  1     3     2     4
  O     1.20613675  1  122.1714942  1 -179.9893659  1     5     4     3
  H     1.02583713  1  117.8071274  1  179.9977240  1     4     3     5
  H     1.02574911  1  117.8662533  1 -179.9978449  1     6     1     2
  H     1.02590800  1  117.7775409  1 -179.9919499  1     2     1     3