Accuracy

dodecylcyclohexane    383 Dodecylcyclohexane

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    #  Species Formula
   373 DecylcyclohexaneC16H32
   374 n-UndecylcyclopentaneC16H32
   375 n-DodecylcyclopentaneC17H34
   376 UndecylcyclohexaneC17H34
   377 HeptadecaneC17H36
   378 p-TerphenylC18H14
   379 2,5-Diphenyl-1,5-hexadieneC18H18
   380 3,4,5,6-TetramethylphenanthreneC18H18
   381 [3.3]ParacyclophaneC18H20
   382 1,1'-(1,1,2,2-Tetramethyl-1,2-ethanediyl)bis-benzeneC18H22
   383 Dodecylcyclohexane C18H36
   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-TridecylcyclohexaneC19H38
   393 NonadecaneC19H40


ΔHf: -90.4 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
Dodecylcyclohexane
 H=-90.36 HR=NIST
  C     0.00000000 +1   0.00000000 +1   0.00000000 +1
  C     1.53423583 +1   0.00000000 +1   0.00000000 +1
  C     2.07410662 +1   1.43641169 +1   0.00000000 +1
  C     1.53018650 +1   2.21361512 +1  -1.20621966 +1
  C    -0.00396301 +1   2.20698853 +1  -1.20566282 +1
  C    -0.53675262 +1   0.76306002 +1  -1.22604238 +1
  C    -2.07577501 +1   0.74413902 +1  -1.21894946 +1
  C    -2.65157078 +1   1.14828184 +1  -2.58169171 +1
  C    -4.18520066 +1   1.15083251 +1  -2.54088757 +1
  C    -4.76199283 +1   1.52649911 +1  -3.91153046 +1
  C    -6.29516719 +1   1.54160543 +1  -3.86903929 +1
  C    -6.87212856 +1   1.90702876 +1  -5.24239713 +1
  C    -8.40528689 +1   1.92645261 +1  -5.19867456 +1
  C    -8.98220289 +1   2.28711180 +1  -6.57337965 +1
  C   -10.51534817 +1   2.30817755 +1  -6.52925662 +1
  C   -11.09243625 +1   2.66755257 +1  -7.90409986 +1
  C   -12.62618461 +1   2.68895815 +1  -7.86198512 +1
  C   -13.20430299 +1   3.04704505 +1  -9.23110175 +1
  H    -0.37770526 +1   0.46501909 +1   0.92866694 +1
  H    -0.37765869 +1  -1.03787720 +1  -0.00158685 +1
  H     1.91372955 +1  -0.54859855 +1   0.88074452 +1
  H     1.91110921 +1  -0.54416305 +1  -0.88584270 +1
  H     3.17853038 +1   1.42806021 +1  -0.01921977 +1
  H     1.78652633 +1   1.94670430 +1   0.93781697 +1
  H     1.90401787 +1   3.25329833 +1  -1.18721889 +1
  H     1.90959691 +1   1.76833390 +1  -2.14436308 +1
  H    -0.38397910 +1   2.73728648 +1  -0.31349988 +1
  H    -0.38435620 +1   2.76654406 +1  -2.07905832 +1
  H    -0.17018733 +1   0.25589071 +1  -2.14927248 +1
  H    -2.45869219 +1   1.41521020 +1  -0.42836562 +1
  H    -2.43514898 +1  -0.26829427 +1  -0.95305647 +1
  H    -2.28068750 +1   2.14871082 +1  -2.87284304 +1
  H    -2.29372975 +1   0.45328698 +1  -3.36423867 +1
  H    -4.54174175 +1   1.86120455 +1  -1.77171670 +1
  H    -4.55797010 +1   0.15640649 +1  -2.23247021 +1
  H    -4.38214941 +1   2.51714075 +1  -4.22404333 +1
  H    -4.41152950 +1   0.81127417 +1  -4.67894190 +1
  H    -6.64590107 +1   2.26214720 +1  -3.10672032 +1
  H    -6.67489770 +1   0.55313782 +1  -3.54972158 +1
  H    -6.48992013 +1   2.89396649 +1  -5.56354244 +1
  H    -6.52411246 +1   1.18440877 +1  -6.00397239 +1
  H    -8.75346917 +1   2.65152849 +1  -4.43949198 +1
  H    -8.78731659 +1   0.94040047 +1  -4.87457638 +1
  H    -8.59928270 +1   3.27248322 +1  -6.89847478 +1
  H    -8.63526163 +1   1.56125219 +1  -7.33234468 +1
  H   -10.86247371 +1   3.03462305 +1  -5.77093494 +1
  H   -10.89819106 +1   1.32296777 +1  -6.20363403 +1
  H   -10.70995595 +1   3.65245211 +1  -8.23082184 +1
  H   -10.74572869 +1   1.94172097 +1  -8.66303861 +1
  H   -12.97374283 +1   3.41525483 +1  -7.10312725 +1
  H   -13.00932536 +1   1.70352959 +1  -7.53599392 +1
  H   -12.86603230 +1   4.03512181 +1  -9.56245695 +1
  H   -12.90244709 +1   2.32195495 +1  -9.99505169 +1
  H   -14.29936175 +1   3.06443401 +1  -9.20791844 +1