PM7 Accuracy

tert-butyl benzene    296 tert-Butyl benzene

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    #  Species Formula
   286 Tricyclo[6.2.0.0]deca-1(8),2,6-trieneC10H10
   287 1,2,6,7-CyclodecatetraeneC10H12
   288 Dispiro[2.2.2.2]deca-4,9-dieneC10H12
   289 TetralinC10H12
   290 (1-Methylpropyl) benzeneC10H14
   291 (2-Methylpropyl) benzeneC10H14
   292 1,2,3,4-Tetramethyl benzeneC10H14
   293 1,2,3,4-TetramethylfulveneC10H14
   294 1,2,3,5-Tetramethyl benzeneC10H14
   295 1,2,4,5-Tetramethyl benzeneC10H14
   296 tert-Butyl benzene C10H14
   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


DHf: -5.4 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
tert-Butyl benzene
 H=-5.42 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.39269481  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.39285236  1  120.1963870  1    0.0000000  0     2     1     0
  C     1.39267894  1  119.4816090  1   -0.3114637  1     3     2     1
  C     1.39300760  1  120.2360724  1    0.3228418  1     4     3     2
  C     1.39785285  1  120.7185735  1    0.3544604  1     5     4     3
  C     1.51694323  1  120.7721553  1 -178.5970033  1     6     5     4
  C     1.53966250  1  107.3544093  1   90.0163910  1     7     6     5
  C     1.53955772  1  111.3684868  1  119.9138487  1     7     6     8
  C     1.53951559  1  111.5749204  1  120.1394883  1     7     6     9
  H     1.08809067  1  118.9789623  1  179.4251170  1     1     2     3
  H     1.08817430  1  119.7897160  1 -179.9297260  1     2     1     3
  H     1.08693490  1  120.2561045  1 -179.8411727  1     3     2     4
  H     1.08820192  1  119.9934023  1 -179.9220054  1     4     3     5
  H     1.08808353  1  118.9478346  1 -179.7939603  1     5     4     6
  H     1.09560611  1  111.2249785  1  -59.6382794  1     8     7     6
  H     1.09553753  1  111.2497631  1  119.5517705  1     8     7    16
  H     1.09445930  1  111.2420514  1  120.2249496  1     8     7    17
  H     1.09459932  1  112.0334268  1  -67.2069162  1     9     7     6
  H     1.09576688  1  111.0227311  1  120.8126482  1     9     7    19
  H     1.09552911  1  111.1451584  1  119.7188499  1     9     7    20
  H     1.09571463  1  111.0929552  1  -53.5686721  1    10     7     6
  H     1.09469632  1  112.0210833  1  120.8757498  1    10     7    22
  H     1.09567820  1  111.0831195  1  119.4116193  1    10     7    23