PM7 Accuracy

2,5-dimethyl hexane    258 2,5-Dimethyl hexane

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    #  Species Formula
   248 EthylcyclohexaneC8H16
   249 2,2,3,3-Tetramethyl butaneC8H18
   250 2,2,3,3-TetramethylbutaneC8H18
   251 2,2,3-Trimethyl pentaneC8H18
   252 2,2,4-Trimethyl pentaneC8H18
   253 2,2-Dimethyl hexaneC8H18
   254 2,3,3-Trimethyl pentaneC8H18
   255 2,3,4-Trimethyl pentaneC8H18
   256 2,3-Dimethyl hexaneC8H18
   257 2,4-Dimethyl hexaneC8H18
   258 2,5-Dimethyl hexane C8H18
   259 2-Methyl heptaneC8H18
   260 3,3-Dimethyl hexaneC8H18
   261 3,4-Dimethyl hexaneC8H18
   262 3-Ethyl hexaneC8H18
   263 3-Ethyl-2-methyl pentaneC8H18
   264 3-Ethyl-3-methyl pentaneC8H18
   265 3-Methyl heptaneC8H18
   266 4-Methyl heptaneC8H18
   267 n-OctaneC8H18
   268 Li(I)4(Et)4 (ETHYLI) (Geo)C8H20Li4


DHf: -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