PM7 Accuracy

(e)-2,2,5,5-tetramethyl-3-hexene    307 (E)-2,2,5,5-Tetramethyl-3-hexene

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    #  Species Formula
   297 TetrahydrotriquinaceneC10H14
   298 1,2,3,4,5-Pentamethyl-1,3-cyclopentadieneC10H16
   299 AdamantaneC10H16
   300 CampheneC10H16
   301 PerhydrotriquinaceneC10H16
   302 1-Methyl-4-(1-methylethyl)-cyclohexeneC10H18
   303 4-Methyl-1-(1-methylethyl)-cyclohexeneC10H18
   304 cis-DecalinC10H18
   305 Spiro(4-5)decaneC10H18
   306 trans-DecalinC10H18
   307 (E)-2,2,5,5-Tetramethyl-3-hexene C10H20
   308 (Z)-2,2,5,5-Tetramethyl-3-hexeneC10H20
   309 1-DeceneC10H20
   310 Butyl cyclohexaneC10H20
   311 Pentyl cyclopentaneC10H20
   312 2,2,5,5-TetramethylhexaneC10H22
   313 3,3,4,4-TetramethylhexaneC10H22
   314 n-DecaneC10H22
   315 PentamethylbenzeneC11H16
   316 1,1,4-TrimethylcycloheptaneC11H22
   317 Hexyl cyclopentaneC11H22


DHf: -39.9 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
(E)-2,2,5,5-Tetramethyl-3-hexene
 H=-39.9 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.54026590  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.50696879  1  107.6338286  1    0.0000000  0     2     1     0
  C     1.33380387  1  124.9131649  1  -97.7373911  1     3     2     1
  C     1.50672408  1  124.9167190  1 -179.9726963  1     4     3     2
  C     1.54013829  1  107.6977939  1   98.0133912  1     5     4     3
  C     1.53670820  1  109.4746452  1 -122.8317476  1     2     1     3
  C     1.54092094  1  109.6550077  1 -119.0781234  1     2     1     7
  C     1.53691891  1  112.6764586  1 -120.8107141  1     5     4     6
  C     1.54088957  1  108.6998723  1 -120.4634456  1     5     4     9
  H     1.09543427  1  110.9963613  1   62.1055780  1     1     2     3
  H     1.09476194  1  111.3812560  1 -119.7440093  1     1     2    11
  H     1.09423325  1  111.2228070  1 -120.2465725  1     1     2    12
  H     1.08951920  1  113.4329323  1  178.5633493  1     3     2     4
  H     1.08958600  1  121.5258401  1  178.4409357  1     4     3     5
  H     1.09546946  1  110.9974445  1  -61.7976642  1     6     5     4
  H     1.09476187  1  111.3699679  1  119.7341942  1     6     5    16
  H     1.09426273  1  111.2319686  1  120.2386886  1     6     5    17
  H     1.09496806  1  111.5926986  1   55.5820816  1     7     2     1
  H     1.09546741  1  111.0568749  1  120.2551142  1     7     2    19
  H     1.09488951  1  111.2012793  1  119.9272267  1     7     2    20
  H     1.09524101  1  110.9836054  1 -176.5122409  1     8     2     1
  H     1.09450578  1  111.5692744  1  120.1424546  1     8     2    22
  H     1.09452312  1  111.2267810  1  119.9610089  1     8     2    23
  H     1.09498794  1  111.5779923  1   64.3187171  1     9     5     4
  H     1.09544851  1  111.0679962  1 -120.2731096  1     9     5    25
  H     1.09492142  1  111.1938636  1 -119.9268322  1     9     5    26
  H     1.09524596  1  110.9747926  1   59.3692258  1    10     5     4
  H     1.09447185  1  111.5812934  1 -120.1420602  1    10     5    28
  H     1.09456048  1  111.2217900  1 -119.9647994  1    10     5    29