Accuracy

3,3-dimethyl hexane    258 3,3-Dimethyl hexane

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    #  Species Formula
   248 2,2,3,3-Tetramethyl butaneC8H18
   249 2,2,3-Trimethyl pentaneC8H18
   250 2,2,4-Trimethyl pentaneC8H18
   251 2,2-Dimethyl hexaneC8H18
   252 2,3,3-Trimethyl pentaneC8H18
   253 2,3,4-Trimethyl pentaneC8H18
   254 2,3-Dimethyl hexaneC8H18
   255 2,4-Dimethyl hexaneC8H18
   256 2,5-Dimethyl hexaneC8H18
   257 2-Methyl heptaneC8H18
   258 3,3-Dimethyl hexane C8H18
   259 3,4-Dimethyl hexaneC8H18
   260 3-Ethyl hexaneC8H18
   261 3-Ethyl-2-methyl pentaneC8H18
   262 3-Ethyl-3-methyl pentaneC8H18
   263 3-Methyl heptaneC8H18
   264 4-Methyl heptaneC8H18
   265 n-OctaneC8H18
   266 Li(I)4(Et)4 (ETHYLI) (Geo)C8H20Li4
   267 Li(I)4(Et)4 (ETHYLI)C8H20Li4
   268 alpha-Methyl styreneC9H10


ΔHf: -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