PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

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


ΔHf: -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