PM7 Accuracy

3,4-dimethyl hexane    261 3,4-Dimethyl hexane

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    #  Species Formula
   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 hexaneC8H18
   259 2-Methyl heptaneC8H18
   260 3,3-Dimethyl hexaneC8H18
   261 3,4-Dimethyl hexane C8H18
   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
   269 Li(I)4(Et)4 (ETHYLI)C8H20Li4
   270 alpha-Methyl styreneC9H10
   271 Cyclopropyl benzeneC9H10


DHf: -50.9 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
3,4-Dimethyl hexane
 HR=NIST H=-50.91
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.52968916  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.54381683  1  112.0028611  1    0.0000000  0     2     1     0
  C     1.55256860  1  110.6328461  1  165.6568025  1     3     2     1
  C     1.54371077  1  110.9901857  1  179.3338138  1     4     3     2
  C     1.52981126  1  111.9666728  1 -165.0292290  1     5     4     3
  C     1.53658648  1  110.7291160  1  121.0381089  1     4     3     5
  C     1.53573800  1  109.0373163  1  122.1200420  1     3     2     4
  H     1.09569765  1  111.3976501  1  -57.3943865  1     1     2     3
  H     1.09527162  1  111.8400974  1  120.2606086  1     1     2     9
  H     1.09559790  1  111.0360999  1  119.9198426  1     1     2    10
  H     1.10637118  1  108.7114267  1  122.1108043  1     2     1     3
  H     1.10552001  1  110.1645603  1  115.4630048  1     2     1    12
  H     1.11454518  1  108.8529713  1  118.8572104  1     3     2     8
  H     1.11422490  1  108.3285424  1  119.5727734  1     4     3     7
  H     1.10659007  1  110.2074744  1  121.1593085  1     5     4     6
  H     1.10520024  1  109.7982876  1  116.0688772  1     5     4    16
  H     1.09521172  1  111.8006588  1  -62.7207884  1     6     5     4
  H     1.09556318  1  111.3591184  1  120.3305622  1     6     5    18
  H     1.09562170  1  111.0206544  1  119.7802637  1     6     5    19
  H     1.09470110  1  111.4897881  1  -52.3847777  1     7     4     3
  H     1.09467588  1  111.7883779  1  120.6643676  1     7     4    21
  H     1.09558848  1  111.1141716  1  119.3973125  1     7     4    22
  H     1.09462229  1  111.8191973  1  169.4210501  1     8     3     2
  H     1.09488977  1  111.3842479  1  120.9007344  1     8     3    24
  H     1.09587230  1  111.1700148  1  119.7874876  1     8     3    25