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

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


ΔHf: -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