PM7 Accuracy

n-nonylcyclopentane    352 n-Nonylcyclopentane

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    #  Species Formula
   342 1,2,3,4-TetrahydrophenanthreneC14H14
   343 4,4'-DimethylbiphenylC14H14
   344 BibenzylC14H14
   345 o,o'-Dimethyl biphenyl, for torsion (Torsion angle) (Geo)C14H14
   346 1,4,5,8-TetramethynaphthaleneC14H16
   347 1,2,3,4,5,6,7,8-Octahydro-anthraceneC14H18
   348 DiadamantaneC14H20
   349 1,3,5,7-TetramethyladamantaneC14H24
   350 (E)-3,4-Di-tert-butyl-3-hexeneC14H28
   351 CyclotetradecaneC14H28
   352 n-Nonylcyclopentane C14H28
   353 OctylcyclohexaneC14H28
   354 3,3,4,4-TetraethylhexaneC14H30
   355 OctamethylhexaneC14H30
   356 TetradecaneC14H30
   357 4-MethylphenanthreneC15H12
   358 1-MethyldiadamantaneC15H22
   359 3-MethyladamantaneC15H22
   360 4-MethyldiadamantaneC15H22
   361 6-(1,1-dimethylethyl)-2,3-dihydro-1,1-dimethyl-1H-IndeneC15H22
   362 n-NonylcyclohexaneC15H30


DHf: -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