PM7 Accuracy

butyl cyclohexane    310 Butyl cyclohexane

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    #  Species Formula
   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-DecalinC10H18
   307 (E)-2,2,5,5-Tetramethyl-3-hexeneC10H20
   308 (Z)-2,2,5,5-Tetramethyl-3-hexeneC10H20
   309 1-DeceneC10H20
   310 Butyl cyclohexane C10H20
   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
   317 Hexyl cyclopentaneC11H22
   318 Pentyl cyclohexaneC11H22
   319 UndecaneC11H24
   320 AcenaphthyleneC12H8


DHf: -51.0 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
Butyl cyclohexane
 H=-50.95 HR=NIST
  C    -0.00447649  1   0.00188239  1   0.00880087  1
  C     1.53203448  1   0.04922318  1  -0.07581579  1
  C     2.02432503  1   1.50211701  1  -0.09580367  1
  C     1.41425172  1   2.25701049  1  -1.28388910  1
  C    -0.11790054  1   2.20999140  1  -1.21778841  1
  C    -0.61096033  1   0.75752607  1  -1.18962196  1
  C    -0.51034996  1  -1.45200386  1   0.01042760  1
  C    -0.18021193  1  -2.16796038  1   1.32615946  1
  C    -0.57315018  1  -3.64977186  1   1.25044662  1
  C    -0.20022136  1  -4.38089265  1   2.54037489  1
  H    -0.32985955  1   0.50277847  1   0.95002338  1
  H     1.87654857  1  -0.47928337  1  -0.98322270  1
  H     1.97896553  1  -0.48842074  1   0.77925280  1
  H     3.12705203  1   1.52763185  1  -0.15467529  1
  H     1.75616255  1   2.00494872  1   0.85135336  1
  H     1.76478037  1   3.30450277  1  -1.29123435  1
  H     1.76345924  1   1.80850767  1  -2.23270406  1
  H    -0.55219523  1   2.74038436  1  -2.08456919  1
  H    -0.47435639  1   2.74747075  1  -0.31964726  1
  H    -1.71365373  1   0.73428488  1  -1.13424993  1
  H    -0.33823832  1   0.24934465  1  -2.13269095  1
  H    -1.60490024  1  -1.46613866  1  -0.15190722  1
  H    -0.07353006  1  -2.00189009  1  -0.84356488  1
  H    -0.70315209  1  -1.67669273  1   2.16700293  1
  H     0.89925282  1  -2.07978272  1   1.55050902  1
  H    -1.65851314  1  -3.74425184  1   1.06078250  1
  H    -0.07116307  1  -4.12894601  1   0.38799898  1
  H     0.87567222  1  -4.31955769  1   2.73861170  1
  H    -0.72024859  1  -3.95720847  1   3.40621434  1
  H    -0.46361855  1  -5.44283228  1   2.48479361  1