Accuracy

2,5-dimethyl hexane    256 2,5-Dimethyl hexane

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    #  Species Formula
   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 hexaneC8H18
   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 hexane C8H18
   257 2-Methyl heptaneC8H18
   258 3,3-Dimethyl hexaneC8H18
   259 3,4-Dimethyl hexaneC8H18
   260 3-Ethyl hexaneC8H18
   261 3-Ethyl-2-methyl pentaneC8H18
   262 3-Ethyl-3-methyl pentaneC8H18
   263 3-Methyl heptaneC8H18
   264 4-Methyl heptaneC8H18
   265 n-OctaneC8H18
   266 Li(I)4(Et)4 (ETHYLI) (Geo)C8H20Li4


ΔHf: -53.2 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
2,5-Dimethyl hexane
 HR=NIST H=-53.21
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.53371634 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.54054438 +1  111.1822783 +1    0.0000000 +0     2     1     0
  C     1.53333938 +1  111.7133813 +1  -72.2794589 +1     3     2     1
  C     1.54050926 +1  111.6939953 +1 -179.7522422 +1     4     3     2
  C     1.53322778 +1  111.1922688 +1   72.2939529 +1     5     4     3
  C     1.53480010 +1  109.7624884 +1  121.4866892 +1     2     1     3
  C     1.53492027 +1  109.6122019 +1  121.5401776 +1     5     4     6
  H     1.09512772 +1  111.4272493 +1  -60.7258655 +1     1     2     3
  H     1.09509269 +1  111.4089412 +1  120.1049567 +1     1     2     9
  H     1.09500992 +1  111.2060689 +1  119.9098487 +1     1     2    10
  H     1.11678001 +1  108.6794515 +1  118.8123122 +1     2     1     7
  H     1.10522304 +1  109.8832587 +1  122.6718401 +1     3     2     4
  H     1.10654226 +1  109.4263865 +1  115.6710052 +1     3     2    13
  H     1.10516799 +1  110.1429694 +1  122.5449922 +1     4     3     5
  H     1.10658923 +1  109.6132150 +1  115.9066768 +1     4     3    15
  H     1.11672567 +1  108.6516368 +1  118.7240711 +1     5     4     8
  H     1.09521925 +1  111.4325676 +1  -58.9775302 +1     6     5     4
  H     1.09516894 +1  111.4040499 +1  119.9590640 +1     6     5    18
  H     1.09503515 +1  111.2211645 +1  120.0650986 +1     6     5    19
  H     1.09495666 +1  111.3881229 +1  176.8393343 +1     7     2     1
  H     1.09504030 +1  111.4046860 +1  120.2932215 +1     7     2    21
  H     1.09517703 +1  111.1695043 +1  119.8825675 +1     7     2    22
  H     1.09499180 +1  111.4137731 +1  -60.0430436 +1     8     5     4
  H     1.09495820 +1  111.3932797 +1  120.2982499 +1     8     5    24
  H     1.09519042 +1  111.1524670 +1  119.8464573 +1     8     5    25