PM7 Accuracy

trans-decalin    306 trans-Decalin

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    #  Species Formula
   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-DecalinC10H18
   305 Spiro(4-5)decaneC10H18
   306 trans-Decalin C10H18
   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
   315 PentamethylbenzeneC11H16
   316 1,1,4-TrimethylcycloheptaneC11H22


DHf: -43.5 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
trans-Decalin
 H=-43.54 HR=NIST
  C    -0.00720510  1  -0.00194547  1   0.00199580  1
  C     1.50348397  1   0.02388383  1   0.31852097  1
  C    -0.65972224  1   1.31563539  1   0.45412365  1
  C     0.00614744  1   2.50852141  1  -0.24328310  1
  C     1.51275405  1   2.53192348  1   0.04667408  1
  C     2.16730342  1   1.21550137  1  -0.39229863  1
  C     2.15603316  1  -1.29365671  1  -0.13365660  1
  C     1.48991116  1  -2.48715091  1   0.56288838  1
  C    -0.01658438  1  -2.50976138  1   0.27236541  1
  C    -0.67115095  1  -1.19404746  1   0.71211092  1
  H    -0.14108253  1  -0.11459449  1  -1.09914991  1
  H     1.63745346  1   0.13668935  1   1.41925629  1
  H    -1.74122085  1   1.30013486  1   0.22964280  1
  H    -0.57528220  1   1.42415229  1   1.55059657  1
  H    -0.16718665  1   2.45218394  1  -1.33411390  1
  H    -0.45993205  1   3.45223383  1   0.09285415  1
  H     1.98683429  1   3.38285012  1  -0.47445767  1
  H     1.68661466  1   2.69726911  1   1.12622368  1
  H     2.08303424  1   1.09923100  1  -1.48794657  1
  H     3.24878907  1   1.23652601  1  -0.16791813  1
  H     2.07213794  1  -1.40191408  1  -1.23038260  1
  H     3.23743989  1  -1.27837336  1   0.09132818  1
  H     1.95579781  1  -3.43056132  1   0.22638837  1
  H     1.66310132  1  -2.43122400  1   1.65379363  1
  H    -0.19008867  1  -2.67440854  1  -0.80719411  1
  H    -0.49091446  1  -3.36140345  1   0.79274520  1
  H    -1.75263062  1  -1.21471163  1   0.48793239  1
  H    -0.58675166  1  -1.07800253  1   1.80802983  1