PM7 Accuracy

3,3-dimethyl hexane    260 3,3-Dimethyl hexane

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


DHf: -52.6 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
3,3-Dimethyl hexane
 HR=NIST H=-52.61
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.52998839  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.53324756  1  110.6947321  1    0.0000000  0     2     1     0
  C     1.55058384  1  114.2728063  1 -179.9819546  1     3     2     1
  C     1.55173066  1  106.5203477  1  179.9699830  1     4     3     2
  C     1.52855841  1  114.3520469  1  179.8935370  1     5     4     3
  C     1.53503401  1  110.1857049  1  119.3753936  1     4     3     5
  C     1.53516561  1  110.1483428  1  121.1293355  1     4     3     7
  H     1.09550577  1  111.4783675  1  -60.0473597  1     1     2     3
  H     1.09550636  1  111.4667919  1  120.1698629  1     1     2     9
  H     1.09548011  1  111.1251388  1  119.9085731  1     1     2    10
  H     1.10622147  1  109.6876328  1  122.0460880  1     2     1     3
  H     1.10618374  1  109.6853829  1  115.9913595  1     2     1    12
  H     1.10660019  1  109.1217129  1  122.3857280  1     3     2     4
  H     1.10669561  1  109.1096869  1  115.2117857  1     3     2    14
  H     1.10698755  1  108.9267209  1  122.4634369  1     5     4     6
  H     1.10695354  1  108.9546445  1  115.1019107  1     5     4    16
  H     1.09533159  1  111.6799740  1  -60.5080521  1     6     5     4
  H     1.09525106  1  111.6834642  1  120.5820587  1     6     5    18
  H     1.09587253  1  110.8760212  1  119.7488775  1     6     5    19
  H     1.09519976  1  111.3389885  1 -179.0279874  1     7     4     3
  H     1.09453740  1  111.3333354  1  120.2928326  1     7     4    21
  H     1.09492789  1  111.4738626  1  120.3295073  1     7     4    22
  H     1.09465019  1  111.3325996  1   58.5886631  1     8     4     3
  H     1.09523034  1  111.3434212  1  120.1413984  1     8     4    24
  H     1.09479210  1  111.4866845  1  119.4986294  1     8     4    25