PM7 Accuracy

perhydrotriquinacene    301 Perhydrotriquinacene

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    #  Species Formula
   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 TetrahydrotriquinaceneC10H14
   298 1,2,3,4,5-Pentamethyl-1,3-cyclopentadieneC10H16
   299 AdamantaneC10H16
   300 CampheneC10H16
   301 Perhydrotriquinacene C10H16
   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
   308 (Z)-2,2,5,5-Tetramethyl-3-hexeneC10H20
   309 1-DeceneC10H20
   310 Butyl cyclohexaneC10H20
   311 Pentyl cyclopentaneC10H20


DHf: -24.5 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
Perhydrotriquinacene
 H=-24.46 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.54907428  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.54918674  1  107.5593775  1    0.0000000  0     1     2     0
  C     1.54922465  1  107.5573630  1 -115.5829169  1     1     2     3
  C     1.54238752  1  106.2229468  1    6.7085711  1     4     1     2
  C     1.53833371  1  105.9483173  1  127.3287521  1     2     1     3
  C     1.54231590  1  106.2349018  1 -120.5865469  1     2     1     6
  C     1.53846209  1  105.9530682  1   11.6682956  1     3     1     2
  C     1.54230946  1  106.2338327  1 -120.5996027  1     3     1     8
  C     1.53822834  1  105.9766818  1  120.6130306  1     4     1     5
  H     1.10208905  1  111.3290089  1 -122.2094227  1     1     2     4
  H     1.10716002  1  110.9457134  1 -119.2798535  1     2     1     7
  H     1.10712421  1  110.9577648  1 -119.2836762  1     3     1     9
  H     1.10717349  1  110.9346526  1  120.1318782  1     4     1    10
  H     1.10351999  1  110.6383984  1   96.6395099  1     5     4     1
  H     1.09911700  1  111.7009575  1  118.6279199  1     5     4    15
  H     1.09992630  1  112.0697223  1 -147.9279272  1     6     2     1
  H     1.10320761  1  110.3937380  1 -118.3157629  1     6     2    17
  H     1.10352956  1  110.6259907  1   96.6526024  1     7     2     1
  H     1.09909518  1  111.7234746  1  118.6555119  1     7     2    19
  H     1.10323165  1  110.3665056  1   93.8681836  1     8     3     1
  H     1.09993672  1  112.0450789  1  118.2823308  1     8     3    21
  H     1.10353917  1  110.6301988  1   96.7395362  1     9     3     1
  H     1.09911800  1  111.7163637  1  118.6350948  1     9     3    23
  H     1.09991630  1  112.0744275  1 -147.8389925  1    10     4     1
  H     1.10323561  1  110.3956769  1 -118.3039956  1    10     4    25