PM7 Accuracy

2,2,3-trimethyl pentane    251 2,2,3-Trimethyl pentane

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    #  Species Formula
   241 3,4-Dimethyl-(E,Z)-2,4-hexadieneC8H14
   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 pentane C8H18
   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 hexaneC8H18


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
2,2,3-Trimethyl pentane
 HR=NIST H=-52.6
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.52959606  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.54331984  1  111.6956702  1    0.0000000  0     2     1     0
  C     1.55801159  1  111.8991052  1  158.1674366  1     3     2     1
  C     1.54159041  1  109.3991552  1  -66.1277616  1     4     3     2
  C     1.53539473  1  111.8034728  1  120.9318673  1     4     3     5
  C     1.54058212  1  109.9641321  1  121.0619479  1     4     3     6
  C     1.53499621  1  109.2340652  1  124.7427931  1     3     2     4
  H     1.09560840  1  111.3820149  1  -60.3603777  1     1     2     3
  H     1.09538480  1  111.6335156  1  120.2353928  1     1     2     9
  H     1.09552894  1  111.0467512  1  119.8952348  1     1     2    10
  H     1.10628152  1  109.1862686  1  122.1810532  1     2     1     3
  H     1.10569615  1  109.9896374  1  115.6147352  1     2     1    12
  H     1.11737063  1  108.3416523  1  117.5555504  1     3     2     8
  H     1.09443934  1  111.2723460  1  -58.7131747  1     5     4     3
  H     1.09419745  1  111.9908307  1  120.5940960  1     5     4    15
  H     1.09516436  1  110.9789813  1  119.6893723  1     5     4    16
  H     1.09434143  1  111.6199232  1  -62.6810810  1     6     4     3
  H     1.09466427  1  111.4164818  1  120.3138097  1     6     4    18
  H     1.09517029  1  111.0803074  1  119.8316177  1     6     4    19
  H     1.09440664  1  111.6271943  1  -68.3676130  1     7     4     3
  H     1.09438755  1  111.3023521  1  120.5421962  1     7     4    21
  H     1.09491133  1  111.0899565  1  119.8994968  1     7     4    22
  H     1.09443082  1  111.7040681  1  172.1682508  1     8     3     2
  H     1.09474071  1  111.6191355  1  120.7460212  1     8     3    24
  H     1.09569918  1  110.9357946  1  119.7579099  1     8     3    25