Accuracy

tert-butyl benzene    294 tert-Butyl benzene

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    #  Species Formula
   284 Tricyclo[6.2.0.0]deca-1(8),2,6-trieneC10H10
   285 1,2,6,7-CyclodecatetraeneC10H12
   286 Dispiro[2.2.2.2]deca-4,9-dieneC10H12
   287 TetralinC10H12
   288 (1-Methylpropyl) benzeneC10H14
   289 (2-Methylpropyl) benzeneC10H14
   290 1,2,3,4-Tetramethyl benzeneC10H14
   291 1,2,3,4-TetramethylfulveneC10H14
   292 1,2,3,5-Tetramethyl benzeneC10H14
   293 1,2,4,5-Tetramethyl benzeneC10H14
   294 tert-Butyl benzene C10H14
   295 TetrahydrotriquinaceneC10H14
   296 1,2,3,4,5-Pentamethyl-1,3-cyclopentadieneC10H16
   297 AdamantaneC10H16
   298 CampheneC10H16
   299 PerhydrotriquinaceneC10H16
   300 1-Methyl-4-(1-methylethyl)-cyclohexeneC10H18
   301 4-Methyl-1-(1-methylethyl)-cyclohexeneC10H18
   302 cis-DecalinC10H18
   303 Spiro(4-5)decaneC10H18
   304 trans-DecalinC10H18


ΔHf: -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