PM7 Accuracy

2,2,4-trimethyl pentane    252 2,2,4-Trimethyl pentane

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    #  Species Formula
   242 3,4-Dimethyl-(Z,Z)-2,4-hexadieneC8H14
   243 3-OctyneC8H14
   244 4-OctyneC8H14
   245 Bicyclo(2.2.2)-octaneC8H14
   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 pentane C8H18
   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 hexaneC8H18
   262 3-Ethyl hexaneC8H18


DHf: -53.6 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
2,2,4-Trimethyl pentane
 HR=NIST H=-53.57
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.53457157  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.54249244  1  110.9667172  1    0.0000000  0     2     1     0
  C     1.54613466  1  114.7210727  1 -101.6505390  1     3     2     1
  C     1.53713854  1  110.6144918  1  -64.3234886  1     4     3     2
  C     1.53570981  1  111.2667311  1  122.0256107  1     4     3     5
  C     1.54195420  1  107.9150867  1  119.1931693  1     4     3     6
  C     1.53612603  1  109.4096704  1  121.8215067  1     2     1     3
  H     1.09521316  1  111.3613785  1  -62.3553857  1     1     2     3
  H     1.09457870  1  111.3971630  1  119.9102228  1     1     2     9
  H     1.09481530  1  111.1900915  1  120.0662955  1     1     2    10
  H     1.11614576  1  108.6179286  1  117.9927067  1     2     1     8
  H     1.10517760  1  109.6323587  1  123.2022875  1     3     2     4
  H     1.10680658  1  109.6594820  1  114.7673060  1     3     2    13
  H     1.09456296  1  111.3318411  1  -54.7832702  1     5     4     3
  H     1.09468010  1  111.6914680  1  120.0890782  1     5     4    15
  H     1.09500275  1  111.0931339  1  119.8122327  1     5     4    16
  H     1.09480215  1  111.4408439  1  -64.4245606  1     6     4     3
  H     1.09470103  1  111.2449457  1  120.1636205  1     6     4    18
  H     1.09491704  1  111.2744654  1  120.0667495  1     6     4    19
  H     1.09444107  1  111.3417301  1  -59.1996477  1     7     4     3
  H     1.09452522  1  111.3461333  1  120.1740561  1     7     4    21
  H     1.09460720  1  111.2023865  1  119.8762130  1     7     4    22
  H     1.09494145  1  111.2686280  1  175.8892356  1     8     2     1
  H     1.09487630  1  111.4096279  1  120.3681357  1     8     2    24
  H     1.09507584  1  111.1593054  1  119.8909172  1     8     2    25