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

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


ΔHf: -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