PM7 Accuracy

tetralin    289 Tetralin

(Previous)     (Back)     (Next)         Geometry predicted using PM7

   

    #  Species Formula
   279 Naphthalene (Geo)C10H8
   280 NaphthaleneC10H8
   281 1,4-Dicyclopropylbuta-1,3-diyneC10H10
   282 1-Butynl benzeneC10H10
   283 2a,4a,6a,6b-TetrahydrocyclopentapentaleneC10H10
   284 BulvaleneC10H10
   285 DiisopropenyldiacetyleneC10H10
   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 Tetralin C10H12
   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 TetrahydrotriquinaceneC10H14
   298 1,2,3,4,5-Pentamethyl-1,3-cyclopentadieneC10H16
   299 AdamantaneC10H16


DHf: 6.2 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
Tetralin
 H=6.22 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.53333661  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.53105377  1  109.6611252  1    0.0000000  0     2     1     0
  C     1.53340171  1  109.6487598  1  -64.3851836  1     3     2     1
  C     1.49869315  1  112.5297756  1   48.2431332  1     4     3     2
  C     1.49860230  1  112.5287827  1   48.2438620  1     1     2     3
  C     1.39832176  1  118.3844643  1  163.3408888  1     6     1     2
  C     1.39111319  1  120.5823324  1  178.8797188  1     7     6     1
  C     1.39398163  1  119.8460737  1   -0.0617118  1     8     7     6
  C     1.39836977  1  118.3896147  1  163.3914755  1     5     4     3
  H     1.10909317  1  109.5834153  1  171.5262346  1     1     2     3
  H     1.11182124  1  109.6814026  1  -72.9630033  1     1     2     3
  H     1.10656961  1  110.0156889  1  -72.9713694  1     2     1     6
  H     1.10472289  1  110.2253486  1  170.2850922  1     2     1     6
  H     1.10468713  1  110.6552254  1  173.8205653  1     3     2     1
  H     1.10658776  1  110.0623177  1   56.7899241  1     3     2     1
  H     1.11179899  1  109.6736431  1  -72.9260050  1     4     3     2
  H     1.10905684  1  109.5949241  1  171.5513816  1     4     3     2
  H     1.08799322  1  119.7323500  1   -1.0804084  1     7     6     1
  H     1.08745466  1  120.0624140  1  179.9369674  1     8     7     6
  H     1.08748467  1  120.0767481  1  179.9678077  1     9     8     7
  H     1.08801342  1  119.7302078  1   -1.1293947  1    10     5     4