Accuracy

2,4,6-trinitroanisole   1459 2,4,6-Trinitroanisole

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    #  Species Formula
  1449 Li(I)O6(+) (LOLNOP01) (Geo)H30LiC12O6
  1450 Li(I)O6(+) (LOLNOP01)H30LiC12O6
  1451 Li(I)O4 (FECWIT) (Geo)H10LiC6NO6
  1452 Li(I)O4 (FECWIT)H10LiC6NO6
  1453 Trinitromethane (Geo)HCN3O6
  1454 TrinitromethaneHCN3O6
  1455 1,1,1-TrinitroethaneC2H3N3O6
  1456 2,4,6-TrinitrotolueneC7H5N3O6
  1457 2-(Diacetoxymethyl)-5-nitrofuranC9H9NO7
  1458 ASP-ASPC8H11N2O7
  1459 2,4,6-Trinitroanisole C7H5N3O7
  1460 2,4,6-TrinitrophenetoleC8H7N3O7
  1461 Be(II)O4(2-) (MALBEK) (Geo)H4BeC6O8
  1462 Be(II)O4(2-) (MALBEK)H4BeC6O8
  1463 TetraethylpyromellitateC18H22O8
  1464 Tetrapropyl 1,2,4,5-benzene tetracarboxylateC22H30O8
  1465 Beryllium (EDTA) (Geo)H12BeC10N2O8
  1466 Beryllium (EDTA)H12BeC10N2O8
  1467 TetranitromethaneCN4O8
  1468 Glycerol trinitrateC3H5N3O9
  1469 Pentaerythritol tetranitrateC5H8N4O12


ΔHf: -5.8 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
  
 PM7
2,4,6-Trinitroanisole
 H=-5.8,0.8 HR=C&P1970
  C    -0.01822486 +1   0.00257410 +1   0.05506912 +1
  C     1.39280610 +1   0.02720579 +1   0.10247510 +1
  C     2.04356870 +1   1.27338464 +1  -0.15363909 +1
  C     1.31688394 +1   2.43835098 +1  -0.35268363 +1
  C    -0.08250031 +1   2.38546307 +1  -0.32563170 +1
  C    -0.75006290 +1   1.17871092 +1  -0.12724085 +1
  O     2.25240278 +1  -0.92985771 +1   0.41476792 +1
  N     3.49895541 +1   1.35966653 +1  -0.19491792 +1
  H     1.83419112 +1   3.40249813 +1  -0.52445656 +1
  N    -0.84946527 +1   3.60659444 +1  -0.51761962 +1
  H    -1.85644770 +1   1.15267173 +1  -0.11912809 +1
  N    -0.80509065 +1  -1.21682161 +1   0.14754052 +1
  O    -0.47968224 +1  -2.16060752 +1  -0.55046376 +1
  O    -1.76708629 +1  -1.20960397 +1   0.89226347 +1
  O     3.99073475 +1   2.43466255 +1   0.10475053 +1
  O     4.13457065 +1   0.38401967 +1  -0.53831800 +1
  O    -2.06442337 +1   3.52248153 +1  -0.48500944 +1
  O    -0.23268448 +1   4.64030372 +1  -0.70109493 +1
  C     1.83678201 +1  -2.21545983 +1   0.87383905 +1
  H     1.08479071 +1  -2.15641670 +1   1.66351719 +1
  H     1.51001618 +1  -2.83341625 +1   0.02535549 +1
  H     2.79058782 +1  -2.60274001 +1   1.27447156 +1