PM7 Accuracy

2,3,4-trimethyl pentane    255 2,3,4-Trimethyl pentane

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    #  Species Formula
   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 pentaneC8H18
   253 2,2-Dimethyl hexaneC8H18
   254 2,3,3-Trimethyl pentaneC8H18
   255 2,3,4-Trimethyl pentane C8H18
   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
   263 3-Ethyl-2-methyl pentaneC8H18
   264 3-Ethyl-3-methyl pentaneC8H18
   265 3-Methyl heptaneC8H18


DHf: -52.0 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
2,3,4-Trimethyl pentane
 HR=NIST H=-51.97
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.53189020  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.55231990  1  114.1209620  1    0.0000000  0     2     1     0
  C     1.55247237  1  111.4479014  1  -83.6685293  1     3     2     1
  C     1.53160495  1  114.0728440  1   84.3757910  1     4     3     2
  C     1.53764553  1  109.7261894  1  122.8575250  1     4     3     5
  C     1.53759313  1  109.1152659  1  123.2437576  1     2     1     3
  C     1.53058678  1  112.5774322  1  127.7056027  1     3     2     4
  H     1.09508340  1  111.5991647  1  -67.5095337  1     1     2     3
  H     1.09552227  1  111.7061534  1  120.6911501  1     1     2     9
  H     1.09571573  1  110.7901706  1  119.7237851  1     1     2    10
  H     1.11860143  1  108.0199523  1  117.0025455  1     2     1     7
  H     1.12249799  1  106.3342446  1  116.8776666  1     3     2     8
  H     1.11867699  1  107.7819348  1  117.2191901  1     4     3     6
  H     1.09576836  1  111.6513446  1  -52.4289340  1     5     4     3
  H     1.09550314  1  111.5279492  1  120.2969240  1     5     4    15
  H     1.09530647  1  110.9373053  1  119.7023360  1     5     4    16
  H     1.09493330  1  111.3382233  1  -61.1889758  1     6     4     3
  H     1.09437283  1  111.5211790  1  120.3911470  1     6     4    18
  H     1.09500862  1  111.0506223  1  119.8861137  1     6     4    19
  H     1.09448167  1  111.4864867  1  174.6569334  1     7     2     1
  H     1.09488962  1  111.3738185  1  120.3131294  1     7     2    21
  H     1.09489916  1  111.0783423  1  119.7939258  1     7     2    22
  H     1.09532946  1  111.0491527  1  176.3149953  1     8     3     2
  H     1.09500561  1  111.9219707  1  120.0746837  1     8     3    24
  H     1.09525032  1  111.0559696  1  120.1017977  1     8     3    25