PM7 Accuracy

2,3-dimethyl hexane    256 2,3-Dimethyl hexane

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    #  Species Formula
   246 Bicyclo-2,2,2-octaneC8H14
   247 1-OcteneC8H16
   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 hexane C8H18
   257 2,4-Dimethyl hexaneC8H18
   258 2,5-Dimethyl hexaneC8H18
   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


DHf: -51.1 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
2,3-Dimethyl hexane
 HR=NIST H=-51.13
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.52943554  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.53425792  1  110.8364140  1    0.0000000  0     2     1     0
  C     1.54199933  1  111.6173306  1 -178.2691835  1     3     2     1
  C     1.55010238  1  109.9859268  1  161.0451443  1     4     3     2
  C     1.53226083  1  112.7302395  1   69.6170859  1     5     4     3
  C     1.53472589  1  110.6158965  1  123.4819046  1     5     4     6
  C     1.53223635  1  110.4419507  1  124.8398028  1     4     3     5
  H     1.09559533  1  111.4116503  1  -59.4305290  1     1     2     3
  H     1.09555165  1  111.4457483  1  120.1092648  1     1     2     9
  H     1.09541831  1  111.1860139  1  119.9613786  1     1     2    10
  H     1.10626992  1  109.8610568  1  122.0355276  1     2     1     3
  H     1.10636388  1  109.8779966  1  116.0422149  1     2     1    12
  H     1.10631521  1  109.3273947  1  121.9706089  1     3     2     4
  H     1.10529236  1  109.9159311  1  115.5505141  1     3     2    14
  H     1.11856939  1  108.1989815  1  118.3464546  1     4     3     8
  H     1.11963621  1  107.3980405  1  117.5067859  1     5     4     7
  H     1.09508843  1  111.4083135  1  -54.0644715  1     6     5     4
  H     1.09531478  1  111.5561105  1  120.2441501  1     6     5    18
  H     1.09535850  1  111.0651418  1  119.8138979  1     6     5    19
  H     1.09507109  1  111.6007515  1  -63.8370018  1     7     5     4
  H     1.09487849  1  111.4185786  1  120.2699239  1     7     5    21
  H     1.09523242  1  111.0469054  1  119.9430708  1     7     5    22
  H     1.09516068  1  111.3774296  1 -176.9219720  1     8     4     3
  H     1.09514628  1  111.6147280  1  120.3102139  1     8     4    24
  H     1.09535035  1  111.1473538  1  119.9020549  1     8     4    25