PM7 Accuracy

tetrahydrotriquinacene    297 Tetrahydrotriquinacene

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    #  Species Formula
   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 benzeneC10H14
   297 Tetrahydrotriquinacene C10H14
   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-hexeneC10H20


DHf: 3.0 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
Tetrahydrotriquinacene
 HR=NIST H=3.0
  C     0.01230871  1   0.00020127  1   0.00581740  1
  C    -0.20372408  1  -0.42536121  1   1.25620454  1
  C    -1.20117529  1  -0.15188945  1  -0.87483276  1
  C    -2.27624947  1  -0.78834143  1   0.05618652  1
  C    -1.59514934  1  -0.96814723  1   1.44822286  1
  C    -1.58993673  1  -2.47893834  1   1.75550760  1
  C    -2.54084510  1  -3.13577849  1   0.73906269  1
  C    -2.58107590  1  -2.20314080  1  -0.48299150  1
  C    -0.98165935  1  -1.14733720  1  -2.02754168  1
  C    -1.47967286  1  -2.51097609  1  -1.51729069  1
  H     0.91780272  1   0.41314310  1  -0.39820389  1
  H     0.48656919  1  -0.42224529  1   2.07890596  1
  H    -1.52496741  1   0.83519111  1  -1.26046053  1
  H    -3.18143816  1  -0.16847918  1   0.12450793  1
  H    -2.13794021  1  -0.40781971  1   2.23398446  1
  H    -1.90160390  1  -2.68144008  1   2.79091176  1
  H    -0.57158155  1  -2.89254341  1   1.65120337  1
  H    -3.55075936  1  -3.24218908  1   1.17086362  1
  H    -2.21130301  1  -4.15069898  1   0.46991351  1
  H    -3.57455987  1  -2.23888893  1  -0.97121301  1
  H    -1.55157336  1  -0.83491321  1  -2.91864646  1
  H     0.07503493  1  -1.19165178  1  -2.33261481  1
  H    -1.85467023  1  -3.14257834  1  -2.33485834  1
  H    -0.64931793  1  -3.06401223  1  -1.04440128  1