Accuracy

Hexanitroethane   1471 Hexanitroethane

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    #  Species Formula
  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
  1470 Pentaerythritol tetranitrate (Geo)C5H8N4O12
  1471 Hexanitroethane C2N6O12
  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
  1479 Helium fluoride anion (Geo)HeF
  1480 Lithium fluoride (Geo)LiF
  1481 Lithium fluorideLiF


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.
  
 PM7
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