Accuracy

n-nonylcyclopentane    350 n-Nonylcyclopentane

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    #  Species Formula
   340 1,2,3,4-TetrahydrophenanthreneC14H14
   341 4,4'-DimethylbiphenylC14H14
   342 BibenzylC14H14
   343 o,o'-Dimethyl biphenyl, for torsion (Torsion angle) (Geo)C14H14
   344 1,4,5,8-TetramethynaphthaleneC14H16
   345 1,2,3,4,5,6,7,8-Octahydro-anthraceneC14H18
   346 DiadamantaneC14H20
   347 1,3,5,7-TetramethyladamantaneC14H24
   348 (E)-3,4-Di-tert-butyl-3-hexeneC14H28
   349 CyclotetradecaneC14H28
   350 n-Nonylcyclopentane C14H28
   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-NonylcyclohexaneC15H30


ΔHf: -64.8 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
n-Nonylcyclopentane
 H=-64.85 HR=NIST
  C     0.01014429 +1  -0.02107553 +1  -0.06702352 +1
  C     1.52620674 +1  -0.06138875 +1   0.18546205 +1
  C     1.98989081 +1   1.40343388 +1   0.31762270 +1
  C     0.78812763 +1   2.29555725 +1  -0.04592506 +1
  C    -0.26449445 +1   1.36577416 +1  -0.68520494 +1
  C    -1.70258684 +1   1.82393319 +1  -0.42080425 +1
  C    -2.03121496 +1   3.10913316 +1  -1.19062425 +1
  C    -3.47270540 +1   3.55391171 +1  -0.91119595 +1
  C    -3.79977544 +1   4.83977916 +1  -1.68102978 +1
  C    -5.24245873 +1   5.28508411 +1  -1.40987949 +1
  C    -5.56301741 +1   6.57307525 +1  -2.17890492 +1
  C    -7.01169144 +1   7.01065776 +1  -1.92946385 +1
  C    -7.32764103 +1   8.30386215 +1  -2.69298357 +1
  C    -8.77454096 +1   8.73686956 +1  -2.45621967 +1
  H    -0.54276916 +1  -0.14409753 +1   0.87931522 +1
  H    -0.31959106 +1  -0.83378171 +1  -0.72972973 +1
  H     2.04676447 +1  -0.55830912 +1  -0.64983588 +1
  H     1.76596074 +1  -0.64271577 +1   1.08867577 +1
  H     2.84500766 +1   1.60313610 +1  -0.34754966 +1
  H     2.33893811 +1   1.61635601 +1   1.34035882 +1
  H     1.07597757 +1   3.10535522 +1  -0.73217650 +1
  H     0.38148812 +1   2.78314435 +1   0.85564032 +1
  H    -0.08829674 +1   1.31516527 +1  -1.78357637 +1
  H    -2.40693115 +1   1.02217673 +1  -0.71365545 +1
  H    -1.85881786 +1   1.98052228 +1   0.66295808 +1
  H    -1.32531276 +1   3.91167332 +1  -0.90641994 +1
  H    -1.88732847 +1   2.94861156 +1  -2.27526964 +1
  H    -4.17880077 +1   2.75184022 +1  -1.19541844 +1
  H    -3.61609558 +1   3.71476527 +1   0.17344241 +1
  H    -3.09564210 +1   5.64251750 +1  -1.39316795 +1
  H    -3.65139858 +1   4.67974302 +1  -2.76527100 +1
  H    -5.94751094 +1   4.48442867 +1  -1.70074257 +1
  H    -5.39359897 +1   5.44351700 +1  -0.32601005 +1
  H    -4.86716965 +1   7.37746237 +1  -1.87569667 +1
  H    -5.39586142 +1   6.41894406 +1  -3.26123322 +1
  H    -7.70876594 +1   6.20988965 +1  -2.23850648 +1
  H    -7.18325902 +1   7.15982964 +1  -0.84738519 +1
  H    -6.63606245 +1   9.10780873 +1  -2.37787288 +1
  H    -7.14925892 +1   8.15761829 +1  -3.77496431 +1
  H    -9.48156977 +1   7.97040020 +1  -2.79237960 +1
  H    -8.96841173 +1   8.92100611 +1  -1.39373822 +1
  H    -9.00683119 +1   9.65983779 +1  -2.99841811 +1