PM7 Accuracy

cis-decalin    304 cis-Decalin

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    #  Species Formula
   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 PerhydrotriquinaceneC10H16
   302 1-Methyl-4-(1-methylethyl)-cyclohexeneC10H18
   303 4-Methyl-1-(1-methylethyl)-cyclohexeneC10H18
   304 cis-Decalin C10H18
   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
   312 2,2,5,5-TetramethylhexaneC10H22
   313 3,3,4,4-TetramethylhexaneC10H22
   314 n-DecaneC10H22


DHf: -40.5 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
cis-Decalin
 H=-40.45 HR=NIST
  C    -0.00657166  1   0.00831360  1  -0.00443497  1
  C     1.46122718  1  -0.04404387  1   0.49424895  1
  C    -0.31906853  1   1.35363638  1  -0.68549953  1
  C     0.86868291  1   1.81492986  1  -1.53583320  1
  C     2.09261579  1   2.12145053  1  -0.65568486  1
  C     2.04100454  1   1.36679613  1   0.68131610  1
  C     1.57643272  1  -0.83484428  1   1.81083640  1
  C     0.65839658  1  -2.06113074  1   1.78274230  1
  C    -0.82120669  1  -1.64263361  1   1.73347745  1
  C    -0.99788982  1  -0.23500573  1   1.14440581  1
  H    -0.13779564  1  -0.80673182  1  -0.75626815  1
  H     2.06420305  1  -0.56723520  1  -0.28582396  1
  H    -1.22428057  1   1.25587563  1  -1.31059263  1
  H    -0.55460320  1   2.12373234  1   0.07239382  1
  H     1.11972892  1   1.03187669  1  -2.27526931  1
  H     0.59053271  1   2.70816278  1  -2.12346961  1
  H     2.15592555  1   3.20760698  1  -0.46039614  1
  H     3.01676257  1   1.85812392  1  -1.20161209  1
  H     1.42675844  1   1.92861989  1   1.40906487  1
  H     3.05339236  1   1.30671343  1   1.11937227  1
  H     1.31031138  1  -0.19103910  1   2.66975800  1
  H     2.62441578  1  -1.14310199  1   1.97332190  1
  H     0.90320116  1  -2.68736664  1   0.90481994  1
  H     0.84336790  1  -2.69503716  1   2.66804020  1
  H    -1.39527372  1  -2.37512938  1   1.13717036  1
  H    -1.25665723  1  -1.67248009  1   2.74877054  1
  H    -2.03494789  1  -0.10299312  1   0.78751449  1
  H    -0.84757080  1   0.52622774  1   1.93218296  1