Accuracy

hexanitroethane   1239 Hexanitroethane

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    #  Species Formula
  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 tetranitrateC5H8N4O12
  1239 Hexanitroethane C2N6O12
  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
  1249 Fluoromethyl, cationCH2F


ΔHf: 42.8 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.
  

Hexanitroethane
 H=42.8 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.53565490 +1    0.0000000 +0    0.0000000 +0     1     0     0
  N     1.55419024 +1  111.8883865 +1    0.0000000 +0     1     2     0
  N     1.55482914 +1  111.8707169 +1 -120.0388063 +1     1     2     3
  N     1.55460427 +1  111.8350135 +1 -119.9292080 +1     1     2     4
  N     1.55400594 +1  111.8800772 +1 -179.8364476 +1     2     1     3
  N     1.55479040 +1  111.8650573 +1  119.9973301 +1     2     1     6
  N     1.55492485 +1  111.8578306 +1  119.9516103 +1     2     1     7
  O     1.20476353 +1  114.8479357 +1  -33.7805604 +1     4     1     2
  O     1.20015659 +1  115.6843239 +1 -179.1261174 +1     4     1     9
  O     1.20493187 +1  114.8247493 +1  -34.1663225 +1     3     1     2
  O     1.20026233 +1  115.7253431 +1 -179.1222841 +1     3     1    11
  O     1.20021556 +1  115.7250721 +1  146.0380458 +1     5     1     2
  O     1.20488448 +1  114.8375124 +1  179.2750884 +1     5     1    13
  O     1.20490609 +1  114.8343609 +1   33.6145534 +1     6     2     1
  O     1.20020470 +1  115.7361175 +1  179.2050407 +1     6     2    15
  O     1.20479636 +1  114.8443125 +1   33.6703838 +1     7     2     1
  O     1.20025656 +1  115.7001458 +1  179.2442624 +1     7     2    17
  O     1.20474862 +1  114.8341933 +1   33.9109628 +1     8     2     1
  O     1.20027948 +1  115.6985305 +1  179.1946337 +1     8     2    19