Accuracy

pentaerythritol tetranitrate   1238 Pentaerythritol tetranitrate

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    #  Species Formula
  1228 TrinitromethaneHCN3O6
  1229 1,1,1-TrinitroethaneC2H3N3O6
  1230 2,4,6-TrinitrotolueneC7H5N3O6
  1231 2-(Diacetoxymethyl)-5-nitrofuranC9H9NO7
  1232 2,4,6-TrinitroanisoleC7H5N3O7
  1233 2,4,6-TrinitrophenetoleC8H7N3O7
  1234 TetraethylpyromellitateC18H22O8
  1235 Tetrapropyl 1,2,4,5-benzene tetracarboxylateC22H30O8
  1236 TetranitromethaneCN4O8
  1237 Glycerol trinitrateC3H5N3O9
  1238 Pentaerythritol tetranitrate C5H8N4O12
  1239 HexanitroethaneC2N6O12
  1240 Bis(2,2,2-trinitroethyl)-amineC4H5N7O12
  1241 Fluorine, 2S(g) 2s(1)2p(6)F
  1242 Fluorine, atomF
  1243 Fluoride, anionF
  1244 Hydrogen fluoride (Geo)HF
  1245 Hydrogen fluorideHF
  1246 Fluoromethylidyne (Geo)CF
  1247 FluoromethylidyneCF
  1248 Fluoromethylene (Geo)HCF


ΔHf: -92.5 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
  

Pentaerythritol tetranitrate
 H=-92.5 HR=C&P1970 S=146.92 CP=70.45
  C    -0.01049693 +1   0.07755731 +1   0.15019601 +1
  C     1.52940367 +1   0.09938171 +1   0.17591485 +1
  C     2.04441251 +1   1.55023868 +1   0.13696020 +1
  H     3.14821711 +1   1.60914675 +1   0.19954398 +1
  C     1.98623195 +1  -0.59830162 +1   1.47064964 +1
  C     2.09554729 +1  -0.63309598 +1  -1.05586778 +1
  O     1.46416386 +1   2.13051032 +1   1.31048433 +1
  H     1.69742395 +1   2.09538698 +1  -0.76208054 +1
  H    -0.41912931 +1  -0.95078358 +1   0.15314897 +1
  O    -0.32181004 +1   0.70093997 +1  -1.10030481 +1
  H    -0.45251348 +1   0.65074881 +1   0.98869441 +1
  H     1.61587970 +1  -0.08720370 +1   2.38022858 +1
  O     3.41256456 +1  -0.48683582 +1   1.41178675 +1
  H     1.68955993 +1  -1.66508461 +1   1.50166002 +1
  H     1.75094716 +1  -0.17553450 +1  -2.00483951 +1
  O     1.59730278 +1  -1.96541127 +1  -0.90666194 +1
  H     3.20143288 +1  -0.67877273 +1  -1.05214075 +1
  N     1.77158442 +1   3.49454816 +1   1.50377349 +1
  O     2.46300219 +1   4.02239933 +1   0.67082505 +1
  O     1.27161760 +1   3.92262253 +1   2.50687372 +1
  N    -1.69375070 +1   0.96958305 +1  -1.30004525 +1
  O    -2.44779435 +1   0.64872091 +1  -0.41765282 +1
  O    -1.89102350 +1   1.49302905 +1  -2.36121828 +1
  N     4.09494237 +1  -1.13718975 +1   2.46226150 +1
  O     3.42222463 +1  -1.71203227 +1   3.27911399 +1
  O     5.28358581 +1  -1.00469200 +1   2.36552847 +1
  N     1.58360433 +1  -2.73772843 +1  -2.08875120 +1
  O     1.99602476 +1  -2.21681999 +1  -3.09292176 +1
  O     1.14726766 +1  -3.83774368 +1  -1.88919466 +1