Accuracy

1,3,5-triazine-2,4,6(1h,3h,5h)-trione   1363 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione

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    #  Species Formula
  1353 ALA-ALAC6H12N2O3
  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)-trione C3H3N3O3
  1364 1,3,5-Trimethyl-s-triazine-2,4,6-trioneC6H9N3O3
  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


ΔHf: -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