Accuracy

2,2-dimethyl hexane    251 2,2-Dimethyl hexane

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    #  Species Formula
   241 3,4-Dimethyl-(Z,Z)-2,4-hexadieneC8H14
   242 3-OctyneC8H14
   243 4-OctyneC8H14
   244 Bicyclo(2.2.2)-octaneC8H14
   245 Bicyclo-2,2,2-octaneC8H14
   246 1-OcteneC8H16
   247 EthylcyclohexaneC8H16
   248 2,2,3,3-Tetramethyl butaneC8H18
   249 2,2,3-Trimethyl pentaneC8H18
   250 2,2,4-Trimethyl pentaneC8H18
   251 2,2-Dimethyl hexane C8H18
   252 2,3,3-Trimethyl pentaneC8H18
   253 2,3,4-Trimethyl pentaneC8H18
   254 2,3-Dimethyl hexaneC8H18
   255 2,4-Dimethyl hexaneC8H18
   256 2,5-Dimethyl hexaneC8H18
   257 2-Methyl heptaneC8H18
   258 3,3-Dimethyl hexaneC8H18
   259 3,4-Dimethyl hexaneC8H18
   260 3-Ethyl hexaneC8H18
   261 3-Ethyl-2-methyl pentaneC8H18


ΔHf: -53.7 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
2,2-Dimethyl hexane
 HR=NIST H=-53.71
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.52904186 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.53449115 +1  110.9285953 +1    0.0000000 +0     2     1     0
  C     1.53256727 +1  110.5698358 +1 -179.9393669 +1     3     2     1
  C     1.54559187 +1  113.9078686 +1 -179.9165823 +1     4     3     2
  C     1.53629922 +1  110.7720609 +1  -60.8913983 +1     5     4     3
  C     1.53625442 +1  110.7657417 +1  121.7897517 +1     5     4     6
  C     1.54117431 +1  107.9924904 +1  119.0704436 +1     5     4     7
  H     1.09562488 +1  111.4656048 +1  -59.9922907 +1     1     2     3
  H     1.09562496 +1  111.4546019 +1  120.1291708 +1     1     2     9
  H     1.09553746 +1  111.1870939 +1  119.9248922 +1     1     2    10
  H     1.10647692 +1  109.8960218 +1  122.0107949 +1     2     1     3
  H     1.10650417 +1  109.8833282 +1  116.0635546 +1     2     1    12
  H     1.10578262 +1  109.7270408 +1  122.0219769 +1     3     2     4
  H     1.10576346 +1  109.7428178 +1  115.9998908 +1     3     2    14
  H     1.10681316 +1  109.3829967 +1  122.3230872 +1     4     3     5
  H     1.10686779 +1  109.3584598 +1  115.3862797 +1     4     3    16
  H     1.09485513 +1  111.3091163 +1  -54.9707007 +1     6     5     4
  H     1.09493807 +1  111.4982085 +1  120.1672311 +1     6     5    18
  H     1.09500602 +1  111.2381745 +1  119.8086715 +1     6     5    19
  H     1.09493660 +1  111.5026515 +1  -65.4046028 +1     7     5     4
  H     1.09482307 +1  111.3086438 +1  120.1235715 +1     7     5    21
  H     1.09503652 +1  111.2228029 +1  120.0822140 +1     7     5    22
  H     1.09451495 +1  111.3978924 +1  -60.0678035 +1     8     5     4
  H     1.09454229 +1  111.3826366 +1  120.3473409 +1     8     5    24
  H     1.09491329 +1  111.1797884 +1  119.8039077 +1     8     5    25