Accuracy

trans-decalin    304 trans-Decalin

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    #  Species Formula
   294 tert-Butyl benzeneC10H14
   295 TetrahydrotriquinaceneC10H14
   296 1,2,3,4,5-Pentamethyl-1,3-cyclopentadieneC10H16
   297 AdamantaneC10H16
   298 CampheneC10H16
   299 PerhydrotriquinaceneC10H16
   300 1-Methyl-4-(1-methylethyl)-cyclohexeneC10H18
   301 4-Methyl-1-(1-methylethyl)-cyclohexeneC10H18
   302 cis-DecalinC10H18
   303 Spiro(4-5)decaneC10H18
   304 trans-Decalin C10H18
   305 (E)-2,2,5,5-Tetramethyl-3-hexeneC10H20
   306 (Z)-2,2,5,5-Tetramethyl-3-hexeneC10H20
   307 1-DeceneC10H20
   308 Butyl cyclohexaneC10H20
   309 Pentyl cyclopentaneC10H20
   310 2,2,5,5-TetramethylhexaneC10H22
   311 3,3,4,4-TetramethylhexaneC10H22
   312 n-DecaneC10H22
   313 PentamethylbenzeneC11H16
   314 1,1,4-TrimethylcycloheptaneC11H22


ΔHf: -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