PM7 Accuracy

ethylcyclohexane    248 Ethylcyclohexane

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    #  Species Formula
   238 2,5-Dimethyl 2,4-hexadieneC8H14
   239 2-OctyneC8H14
   240 3,4-Dimethyl-(E,E)-2,4-hexadieneC8H14
   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 Ethylcyclohexane C8H16
   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 hexaneC8H18
   258 2,5-Dimethyl hexaneC8H18


DHf: -41.0 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
Ethylcyclohexane
 H=-41.05 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.53924093  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.53417276  1  110.6251149  1    0.0000000  0     2     1     0
  C     1.53411318  1  110.7091295  1  -57.4310115  1     3     2     1
  C     1.53411985  1  110.5164543  1   56.8537704  1     4     3     2
  C     1.54054167  1  109.6617752  1   57.8666368  1     1     2     3
  C     1.54079478  1  110.9443293  1  121.2848943  1     1     2     6
  C     1.52880606  1  111.7780468  1   72.2509163  1     7     1     2
  H     1.11506694  1  108.8291285  1  119.9022376  1     1     2     7
  H     1.10540585  1  109.8944472  1 -121.6606505  1     2     1     3
  H     1.10463685  1  110.1867232  1 -116.5193315  1     2     1    10
  H     1.10477912  1  110.0599907  1 -122.0733872  1     3     2     4
  H     1.10613397  1  109.8063956  1 -116.3601066  1     3     2    12
  H     1.10464270  1  110.1825926  1  122.0734463  1     4     3     5
  H     1.10604724  1  109.8243052  1  116.5175184  1     4     3    14
  H     1.10485720  1  110.1144139  1 -179.0209003  1     5     4     3
  H     1.10558031  1  110.0811864  1 -116.7593565  1     5     4    16
  H     1.10452066  1  110.1321186  1 -179.9414425  1     6     1     2
  H     1.10497760  1  110.0701918  1 -116.8604648  1     6     1    18
  H     1.10657930  1  109.6831596  1  121.5432923  1     7     1     8
  H     1.10554373  1  109.9385691  1  115.8477524  1     7     1    20
  H     1.09549974  1  111.6497830  1  -60.1158983  1     8     7     1
  H     1.09585592  1  111.2936442  1  120.0442845  1     8     7    22
  H     1.09549209  1  111.1700018  1  119.9282847  1     8     7    23