Accuracy

n-nonylcyclohexane    360 n-Nonylcyclohexane

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    #  Species Formula
   350 n-NonylcyclopentaneC14H28
   351 OctylcyclohexaneC14H28
   352 3,3,4,4-TetraethylhexaneC14H30
   353 OctamethylhexaneC14H30
   354 TetradecaneC14H30
   355 4-MethylphenanthreneC15H12
   356 1-MethyldiadamantaneC15H22
   357 3-MethyladamantaneC15H22
   358 4-MethyldiadamantaneC15H22
   359 6-(1,1-dimethylethyl)-2,3-dihydro-1,1-dimethyl-1H-IndeneC15H22
   360 n-Nonylcyclohexane C15H30
   361 PentadecaneC15H32
   362 FluorantheneC16H10
   363 PyreneC16H10
   364 2,7-DimethylphenanthreneC16H14
   365 4,5,9,10-TetrahydropyreneC16H14
   366 9,10-DimethylphenanthreneC16H14
   367 (2.2)MetaparacyclophaneC16H16
   368 [2.2]MetacyclophaneC16H16
   369 [2.2]ParacyclophaneC16H16
   370 1,2,3,6,7,8-HexahydropyreneC16H18


ΔHf: -75.6 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-Nonylcyclohexane
 H=-75.58 HR=NIST
  C     0.00000000 +1   0.00000000 +1   0.00000000 +1
  C     1.53399986 +1   0.00000000 +1   0.00000000 +1
  C     2.07492250 +1   1.43614338 +1   0.00000000 +1
  C     1.52931478 +1   2.21621797 +1  -1.20369310 +1
  C    -0.00467643 +1   2.20734944 +1  -1.20443001 +1
  C    -0.53590340 +1   0.76308915 +1  -1.22662297 +1
  C    -2.07451800 +1   0.74200089 +1  -1.22205831 +1
  C    -2.64898402 +1   1.14715453 +1  -2.58491968 +1
  C    -4.18251202 +1   1.13909746 +1  -2.54863126 +1
  C    -4.75803037 +1   1.52009362 +1  -3.91830448 +1
  C    -6.29130462 +1   1.51593040 +1  -3.88228431 +1
  C    -6.86703391 +1   1.89260918 +1  -5.25307644 +1
  C    -8.40026422 +1   1.88504700 +1  -5.21797813 +1
  C    -8.97807534 +1   2.26084270 +1  -6.58865480 +1
  C   -10.50658144 +1   2.25302932 +1  -6.55733079 +1
  H    -0.37767283 +1  -1.03782326 +1  -0.00061418 +1
  H    -0.37788645 +1   0.46566336 +1   0.92837794 +1
  H     1.91051928 +1  -0.54426653 +1  -0.88599696 +1
  H     1.91371699 +1  -0.54875059 +1   0.88050448 +1
  H     3.17922129 +1   1.42641516 +1  -0.02221330 +1
  H     1.78986277 +1   1.94514526 +1   0.93923882 +1
  H     1.90108777 +1   3.25655132 +1  -1.18089371 +1
  H     1.91013530 +1   1.77498133 +1  -2.14326222 +1
  H    -0.38478088 +1   2.76714571 +1  -2.07780812 +1
  H    -0.38660462 +1   2.73641157 +1  -0.31243860 +1
  H    -0.16725167 +1   0.25617297 +1  -2.14910455 +1
  H    -2.43326918 +1  -0.27101498 +1  -0.95782010 +1
  H    -2.46025146 +1   1.41124557 +1  -0.43127882 +1
  H    -2.28463228 +1   0.45762564 +1  -3.36920061 +1
  H    -2.28414472 +1   2.15085742 +1  -2.87199801 +1
  H    -4.55014400 +1   0.14046892 +1  -2.24794284 +1
  H    -4.54681464 +1   1.84154514 +1  -1.77600621 +1
  H    -4.39602487 +1   0.81652620 +1  -4.69093421 +1
  H    -4.38923004 +1   2.51795625 +1  -4.22058956 +1
  H    -6.66100779 +1   0.51905189 +1  -3.57792744 +1
  H    -6.65489674 +1   2.22163382 +1  -3.11230119 +1
  H    -6.50277591 +1   1.18825554 +1  -6.02391542 +1
  H    -6.50021099 +1   2.89060364 +1  -5.55717127 +1
  H    -8.76857696 +1   0.88763765 +1  -4.91401574 +1
  H    -8.76647810 +1   2.58931778 +1  -4.44805823 +1
  H    -8.61280572 +1   1.55665244 +1  -7.35980921 +1
  H    -8.61172479 +1   3.25927904 +1  -6.89348105 +1
  H   -10.89565030 +1   2.96890364 +1  -5.82475005 +1
  H   -10.89634734 +1   1.26429723 +1  -6.29090441 +1
  H   -10.92570081 +1   2.52008923 +1  -7.53345049 +1