Accuracy

glycerol trinitrate   1468 Glycerol trinitrate

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    #  Species Formula
  1458 ASP-ASPC8H11N2O7
  1459 2,4,6-TrinitroanisoleC7H5N3O7
  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 trinitrate C3H5N3O9
  1469 Pentaerythritol tetranitrateC5H8N4O12
  1470 Pentaerythritol tetranitrate (Geo)C5H8N4O12
  1471 HexanitroethaneC2N6O12
  1472 Bis(2,2,2-trinitroethyl)-amineC4H5N7O12
  1473 Fluorine, cationF
  1474 Fluorine, 2S(g) 2s(1)2p(6)F
  1475 Fluorine, atomF
  1476 Fluoride, anionF
  1477 Hydrogen fluoride (Geo)HF
  1478 Hydrogen fluorideHF


ΔHf: -64.7 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
  
 PM7
Glycerol trinitrate
 HR=C&P1970 H=-64.7 S=130.47 CP=55.98
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.54017494 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.53022980 +1  111.6671306 +1    0.0000000 +0     2     1     0
  O     1.41415448 +1  109.8921520 +1  -55.6918937 +1     1     2     3
  O     1.41743116 +1  110.9994082 +1  168.6083813 +1     3     2     1
  O     1.42538330 +1  103.4730605 +1 -170.2289281 +1     2     1     4
  H     1.11882440 +1  110.5712142 +1   69.0569676 +1     2     1     4
  H     1.10673738 +1  111.6012528 +1  178.8040476 +1     1     2     3
  H     1.11068854 +1  112.4827374 +1   56.6632437 +1     1     2     3
  H     1.10835458 +1  111.9675652 +1   42.8723549 +1     3     2     1
  H     1.11351225 +1  112.0700518 +1  -79.9654480 +1     3     2     1
  N     1.42153925 +1  115.7341356 +1  -81.3629235 +1     4     1     2
  N     1.41455714 +1  115.7378095 +1  -79.3513543 +1     5     3     2
  N     1.41806911 +1  116.9462765 +1 -132.1671259 +1     6     2     1
  O     1.20411351 +1  116.7971644 +1    0.2790019 +1    12     4     1
  O     1.19793223 +1  111.5273349 +1 -179.4188938 +1    12     4     1
  O     1.20664914 +1  116.9253952 +1    1.4422325 +1    13     5     3
  O     1.19895820 +1  111.9990907 +1 -178.5916757 +1    13     5     3
  O     1.20257333 +1  117.6403161 +1    3.7148214 +1    14     6     2
  O     1.19897956 +1  110.9476633 +1 -176.8245057 +1    14     6     2