PM7 Accuracy

n-nonylcyclohexane    362 n-Nonylcyclohexane

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    #  Species Formula
   352 n-NonylcyclopentaneC14H28
   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-Nonylcyclohexane C15H30
   363 PentadecaneC15H32
   364 FluorantheneC16H10
   365 PyreneC16H10
   366 2,7-DimethylphenanthreneC16H14
   367 4,5,9,10-TetrahydropyreneC16H14
   368 9,10-DimethylphenanthreneC16H14
   369 (2.2)MetaparacyclophaneC16H16
   370 [2.2]MetacyclophaneC16H16
   371 [2.2]ParacyclophaneC16H16
   372 1,2,3,6,7,8-HexahydropyreneC16H18


DHf: -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  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.53399986  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.53463517  1  110.6388563  1    0.0000000  0     2     1     0
  C     1.53462739  1  110.5102955  1  -56.8709073  1     3     2     1
  C     1.53401702  1  110.6686641  1   56.6665795  1     4     3     2
  C     1.53901995  1  110.5239359  1  -57.8151419  1     5     4     3
  C     1.53876588  1  110.9747433  1  179.7811231  1     6     5     4
  C     1.53347703  1  111.6122029  1   74.1112440  1     7     6     5
  C     1.53397845  1  110.6154804  1 -179.1380346  1     8     7     6
  C     1.53374841  1  110.6522928  1 -178.9979430  1     9     8     7
  C     1.53370294  1  110.7005584  1 -179.8530144  1    10     9     8
  C     1.53376080  1  110.7082234  1 -179.8218759  1    11    10     9
  C     1.53365064  1  110.7078702  1  179.8593509  1    12    11    10
  C     1.53422379  1  110.7847259  1 -179.9670931  1    13    12    11
  C     1.52884700  1  110.9144910  1  179.9505605  1    14    13    12
  H     1.10440675  1  109.9968792  1  179.9660927  1     1     2     3
  H     1.10522673  1  109.9931951  1  -63.3622003  1     1     2     3
  H     1.10588586  1  109.9054266  1 -121.5623405  1     2     1     3
  H     1.10480788  1  110.1021645  1  121.9321074  1     2     1     3
  H     1.10456502  1  110.1298792  1 -178.7726982  1     3     2     1
  H     1.10567243  1  109.8729649  1   64.5904154  1     3     2     1
  H     1.10500156  1  110.0455239  1  178.4439895  1     4     3     2
  H     1.10566911  1  109.9511503  1  -65.0332761  1     4     3     2
  H     1.10482604  1  109.9673611  1 -179.7082905  1     5     4     3
  H     1.10518078  1  110.0243066  1   63.8292784  1     5     4     3
  H     1.11527592  1  108.9272253  1  -60.1272488  1     6     5     4
  H     1.10667311  1  109.7180677  1 -164.4198063  1     7     6     5
  H     1.10544604  1  110.0432906  1  -48.5484518  1     7     6     5
  H     1.10602842  1  110.0037216  1   59.0761263  1     8     7     6
  H     1.10586671  1  110.2990358  1  -57.3156313  1     8     7     6
  H     1.10581452  1  110.0921963  1  -57.1605283  1     9     8     7
  H     1.10593789  1  110.0292560  1   59.2001856  1     9     8     7
  H     1.10589864  1  110.0621490  1   58.3343891  1    10     9     8
  H     1.10594746  1  110.0651560  1  -58.0142254  1    10     9     8
  H     1.10592960  1  110.0663771  1  -58.0071824  1    11    10     9
  H     1.10593424  1  110.0775745  1   58.3348129  1    11    10     9
  H     1.10588909  1  110.0541771  1   58.0341271  1    12    11    10
  H     1.10590490  1  110.0521700  1  -58.2979553  1    12    11    10
  H     1.10583580  1  110.1030337  1  -58.1378726  1    13    12    11
  H     1.10584202  1  110.1125527  1   58.1790429  1    13    12    11
  H     1.10633853  1  110.0280149  1   58.0811786  1    14    13    12
  H     1.10634845  1  110.0289068  1  -58.1638619  1    14    13    12
  H     1.09568479  1  111.4305106  1   60.0587103  1    15    14    13
  H     1.09566948  1  111.4228272  1  -60.0076773  1    15    14    13
  H     1.09535004  1  111.2873369  1 -179.9694238  1    15    14    13