Accuracy

n-tridecylcyclohexane    392 n-Tridecylcyclohexane

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    #  Species Formula
   382 1,1'-(1,1,2,2-Tetramethyl-1,2-ethanediyl)bis-benzeneC18H22
   383 DodecylcyclohexaneC18H36
   384 n-TridecylcyclopentaneC18H36
   385 1,1,2,2-Tetra-t-butylethaneC18H38
   386 OctadecaneC18H38
   387 TriphenylboraneH15BC18
   388 TricyclohexylboraneH33BC18
   389 Tri-n-hexylboraneH39BC18
   390 2,6-Diphenyl-1,6-heptadieneC19H20
   391 n-TetradecylcyclopentaneC19H38
   392 n-Tridecylcyclohexane C19H38
   393 NonadecaneC19H40
   394 9,10-Dihydro-9,10[1',2']benzanthraceneC20H14
   395 3,9-Dimethylbenz[a]anthraceneC20H16
   396 5,6-Dimethyl chryseneC20H16
   397 9,10-Dimethyl-1,2-benzanthraceneC20H16
   398 1,3,5-Tri-tert-butyl pentaleneC20H30
   399 HexacyclopropylethaneC20H30
   400 Tetra-tert-butyltetrahedraneC20H36
   401 Meso-3,4-dicyclohexyl-2,5-dimethylhexaneC20H38
   402 TetradecylcyclohexaneC20H40


ΔHf: -95.3 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.
  
 INT PM7
n-Tridecylcyclohexane
 H=-95.28 HR=NIST
  C     0.00000000 +1   0.00000000 +1   0.00000000 +1
  C     1.53435387 +1   0.00000000 +1   0.00000000 +1
  C     2.07744406 +1   1.43484599 +1   0.00000000 +1
  C     1.54449936 +1   2.21581655 +1  -1.21454733 +1
  C     0.00421889 +1   2.22590177 +1  -1.18541698 +1
  C     2.07439121 +1   3.66102585 +1  -1.21132824 +1
  C     3.54733335 +1   3.72180332 +1  -1.63364454 +1
  C     4.06316667 +1   5.16593715 +1  -1.59122846 +1
  C     5.52444440 +1   5.23161313 +1  -2.05245311 +1
  C     6.04765805 +1   6.67221006 +1  -1.99507199 +1
  C     7.50271076 +1   6.73991723 +1  -2.47529817 +1
  C     8.02930058 +1   8.17902914 +1  -2.41034766 +1
  C     9.48014794 +1   8.24796977 +1  -2.90298270 +1
  C    10.00873561 +1   9.68621523 +1  -2.83381608 +1
  C    11.45694406 +1   9.75604349 +1  -3.33417467 +1
  C    11.98679765 +1  11.19354338 +1  -3.26282359 +1
  H    -0.37626631 +1   0.44148797 +1   0.94144600 +1
  H    -0.37997780 +1  -1.03693871 +1  -0.02645825 +1
  H     1.90985601 +1  -0.54446232 +1  -0.88639618 +1
  H     1.91444217 +1  -0.54883167 +1   0.88032663 +1
  H     3.18207475 +1   1.41978099 +1  -0.01257481 +1
  H     1.78881825 +1   1.94734582 +1   0.93572311 +1
  H     1.87968843 +1   1.70694308 +1  -2.14838319 +1
  H    -0.38982829 +1   2.78807461 +1  -2.05052684 +1
  H    -0.35279215 +1   2.75610625 +1  -0.28384824 +1
  H     1.94529388 +1   4.10979006 +1  -0.20948268 +1
  H     1.46886728 +1   4.28283187 +1  -1.89778335 +1
  H     4.16214789 +1   3.08273131 +1  -0.97281814 +1
  H     3.66619415 +1   3.30622961 +1  -2.65172322 +1
  H     3.97015110 +1   5.57110509 +1  -0.56643649 +1
  H     3.43488367 +1   5.81267813 +1  -2.23132033 +1
  H     6.15157857 +1   4.57584954 +1  -1.42011089 +1
  H     5.61508939 +1   4.83682988 +1  -3.08154117 +1
  H     5.97041052 +1   7.06282545 +1  -0.96332407 +1
  H     5.41331986 +1   7.33116506 +1  -2.61666807 +1
  H     8.13689834 +1   6.07660546 +1  -1.85808452 +1
  H     7.57879350 +1   6.35541077 +1  -3.50944332 +1
  H     7.96209956 +1   8.56096849 +1  -1.37464867 +1
  H     7.39056890 +1   8.84431288 +1  -3.02066364 +1
  H    10.11902771 +1   7.58031428 +1  -2.29536889 +1
  H     9.54678441 +1   7.86983631 +1  -3.94011819 +1
  H     9.94802965 +1  10.06319388 +1  -1.79589759 +1
  H     9.36747344 +1  10.35534714 +1  -3.43723088 +1
  H    12.09857591 +1   9.08574481 +1  -2.73244513 +1
  H    11.51752950 +1   9.38147244 +1  -4.37294837 +1
  H    11.93023539 +1  11.56841607 +1  -2.22401358 +1
  H    11.34425260 +1  11.86546645 +1  -3.86157436 +1
  C    13.43385680 +1  11.26611003 +1  -3.76777122 +1
  H    13.49102985 +1  10.89289919 +1  -4.80770519 +1
  H    14.07767426 +1  10.59409911 +1  -3.16943673 +1
  H    13.95427790 +1  13.07796809 +1  -2.66986588 +1
  C    13.96537380 +1  12.69764122 +1  -3.69704939 +1
  H    13.36271556 +1  13.37884810 +1  -4.30793048 +1
  H    14.99748010 +1  12.75608000 +1  -4.05946345 +1
  C    -0.53865179 +1   0.79103782 +1  -1.19923685 +1
  H    -1.64326106 +1   0.80296200 +1  -1.18126893 +1
  H    -0.25269488 +1   0.28882597 +1  -2.14192707 +1