PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

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


ΔHf: -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