PM7 Accuracy

2,4-dimethyl hexane    257 2,4-Dimethyl hexane

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    #  Species Formula
   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 pentaneC8H18
   256 2,3-Dimethyl hexaneC8H18
   257 2,4-Dimethyl hexane C8H18
   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
   266 4-Methyl heptaneC8H18
   267 n-OctaneC8H18


DHf: -52.4 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
2,4-Dimethyl hexane
 HR=NIST H=-52.44
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.52928529  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.54302475  1  111.9099815  1    0.0000000  0     2     1     0
  C     1.54093092  1  109.2134349  1  166.6707098  1     3     2     1
  C     1.54047953  1  112.9118515  1 -165.5999210  1     4     3     2
  C     1.53337840  1  111.1880803  1   72.2334834  1     5     4     3
  C     1.53512200  1  109.5495054  1  121.4933886  1     5     4     6
  C     1.53355507  1  110.4580132  1  121.8516234  1     3     2     4
  H     1.09544725  1  111.4445090  1  -57.9802824  1     1     2     3
  H     1.09540180  1  111.5561428  1  120.2474634  1     1     2     9
  H     1.09547305  1  111.1020342  1  119.8285349  1     1     2    10
  H     1.10684182  1  109.2496628  1  121.7918193  1     2     1     3
  H     1.10552740  1  110.0452280  1  115.7020824  1     2     1    12
  H     1.11553799  1  108.4844158  1  119.3983939  1     3     2     8
  H     1.10616302  1  109.9065760  1  122.0688939  1     4     3     5
  H     1.10589103  1  109.2936242  1  115.4836978  1     4     3    15
  H     1.11657526  1  108.8674585  1  118.6939015  1     5     4     7
  H     1.09538336  1  111.4244532  1  -58.4958902  1     6     5     4
  H     1.09510774  1  111.4355283  1  119.9266926  1     6     5    18
  H     1.09499497  1  111.2010505  1  120.1199145  1     6     5    19
  H     1.09497129  1  111.4264894  1  -60.0486080  1     7     5     4
  H     1.09497081  1  111.3601058  1  120.2730391  1     7     5    21
  H     1.09515387  1  111.1420935  1  119.8355097  1     7     5    22
  H     1.09530147  1  111.3862008  1 -179.7820703  1     8     3     2
  H     1.09478982  1  111.5096417  1  120.1194912  1     8     3    24
  H     1.09516819  1  111.2524652  1  120.2051492  1     8     3    25