PM7 Accuracy

3-ethyl-2-methyl pentane    263 3-Ethyl-2-methyl pentane

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    #  Species Formula
   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
   263 3-Ethyl-2-methyl pentane C8H18
   264 3-Ethyl-3-methyl pentaneC8H18
   265 3-Methyl heptaneC8H18
   266 4-Methyl heptaneC8H18
   267 n-OctaneC8H18
   268 Li(I)4(Et)4 (ETHYLI) (Geo)C8H20Li4
   269 Li(I)4(Et)4 (ETHYLI)C8H20Li4
   270 alpha-Methyl styreneC9H10
   271 Cyclopropyl benzeneC9H10
   272 1,3,5-Trimethyl cyclohexaneC9H18
   273 cis-cis-trans-1,3,5-Trimethyl cyclohexaneC9H18


DHf: -50.5 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
3-Ethyl-2-methyl pentane
 HR=NIST H=-50.48
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.52924898  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.54371868  1  111.6245155  1    0.0000000  0     2     1     0
  C     1.55122735  1  110.4541895  1  163.7430750  1     3     2     1
  C     1.53547141  1  111.3052827  1  177.7191003  1     4     3     2
  C     1.53706117  1  111.0927704  1  120.5895748  1     4     3     5
  C     1.54553626  1  109.5237115  1  122.8725134  1     3     2     4
  C     1.52958491  1  112.0044148  1  133.6250503  1     7     3     2
  H     1.09592909  1  111.2650804  1  -62.6250713  1     1     2     3
  H     1.09566828  1  111.7053299  1  119.9234362  1     1     2     9
  H     1.09540274  1  111.1881608  1  120.1534512  1     1     2    10
  H     1.10669883  1  108.9352778  1  121.9735883  1     2     1     3
  H     1.10550180  1  110.3869880  1  115.4712816  1     2     1    12
  H     1.11507710  1  108.3824274  1  118.9642146  1     3     2     7
  H     1.11513669  1  108.4468021  1  119.6672347  1     4     3     6
  H     1.09473390  1  111.8794044  1  -62.3189841  1     5     4     3
  H     1.09499242  1  111.2315395  1  120.5203634  1     5     4    16
  H     1.09551596  1  111.0486915  1  119.7608467  1     5     4    17
  H     1.09504386  1  111.3039773  1  -52.2926186  1     6     4     3
  H     1.09451233  1  111.8772767  1  120.5261302  1     6     4    19
  H     1.09547338  1  111.0724440  1  119.6022119  1     6     4    20
  H     1.10518524  1  110.5283839  1  123.2862421  1     7     3     8
  H     1.10759260  1  110.2736989  1  115.2332961  1     7     3    22
  H     1.09563708  1  111.2408290  1  -62.7092304  1     8     7     3
  H     1.09564948  1  111.6232605  1  120.0093729  1     8     7    24
  H     1.09536466  1  111.2721878  1  120.1094732  1     8     7    25