PM7 Accuracy

n-tridecylcyclohexane    394 n-Tridecylcyclohexane

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    #  Species Formula
   384 1,1'-(1,1,2,2-Tetramethyl-1,2-ethanediyl)bis-benzeneC18H22
   385 DodecylcyclohexaneC18H36
   386 n-TridecylcyclopentaneC18H36
   387 1,1,2,2-Tetra-t-butylethaneC18H38
   388 OctadecaneC18H38
   389 TriphenylboraneH15BC18
   390 TricyclohexylboraneH33BC18
   391 Tri-n-hexylboraneH39BC18
   392 2,6-Diphenyl-1,6-heptadieneC19H20
   393 n-TetradecylcyclopentaneC19H38
   394 n-Tridecylcyclohexane C19H38
   395 NonadecaneC19H40
   396 9,10-Dihydro-9,10[1',2']benzanthraceneC20H14
   397 3,9-Dimethylbenz[a]anthraceneC20H16
   398 5,6-Dimethyl chryseneC20H16
   399 9,10-Dimethyl-1,2-benzanthraceneC20H16
   400 1,3,5-Tri-tert-butyl pentaleneC20H30
   401 HexacyclopropylethaneC20H30
   402 Tetra-tert-butyltetrahedraneC20H36
   403 Meso-3,4-dicyclohexyl-2,5-dimethylhexaneC20H38
   404 TetradecylcyclohexaneC20H40


DHf: -95.3 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-Tridecylcyclohexane
 H=-95.28 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.53435387  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.53418707  1  110.7316885  1    0.0000000  0     2     1     0
  C     1.53917844  1  110.6078001  1  -57.4617245  1     3     2     1
  C     1.54058892  1  109.5472690  1   58.1424493  1     4     3     2
  C     1.53929388  1  110.8263030  1  179.3934564  1     4     3     2
  C     1.53349389  1  111.5483078  1   74.9493506  1     6     4     3
  C     1.53408137  1  110.6505220  1 -178.6575287  1     7     6     4
  C     1.53374512  1  110.6315505  1 -178.3667293  1     8     7     6
  C     1.53374204  1  110.7313546  1 -179.3275409  1     9     8     7
  C     1.53374699  1  110.6943202  1 -179.1982885  1    10     9     8
  C     1.53380524  1  110.7240736  1 -179.6652444  1    11    10     9
  C     1.53375361  1  110.6915536  1 -179.4755806  1    12    11    10
  C     1.53386406  1  110.7105582  1 -179.8116141  1    13    12    11
  C     1.53379999  1  110.6929159  1 -179.6726841  1    14    13    12
  C     1.53370197  1  110.7131236  1 -179.8973180  1    15    14    13
  H     1.10580673  1  109.8929642  1  -64.8759273  1     1     2     3
  H     1.10468324  1  110.1189280  1  178.5383734  1     1     2     3
  H     1.10595627  1  109.8480661  1 -121.5600193  1     2     1     3
  H     1.10483406  1  110.1221657  1  121.9411030  1     2     1     3
  H     1.10480498  1  109.9489874  1 -179.3062187  1     3     2     1
  H     1.10523241  1  109.9521012  1   64.2490816  1     3     2     1
  H     1.11505755  1  108.9778188  1  -60.5740481  1     4     3     2
  H     1.10441231  1  110.1966215  1  179.7374107  1     5     4     3
  H     1.10516961  1  109.9706284  1   62.9551782  1     5     4     3
  H     1.10532799  1  110.0521194  1  -47.7206825  1     6     4     3
  H     1.10658148  1  109.7491445  1 -163.6121810  1     6     4     3
  H     1.10593919  1  110.2741189  1  -56.8437758  1     7     6     4
  H     1.10603508  1  109.9881047  1   59.5292639  1     7     6     4
  H     1.10589852  1  110.0127078  1   59.8091121  1     8     7     6
  H     1.10577169  1  110.0919458  1  -56.5578011  1     8     7     6
  H     1.10597461  1  110.0551658  1  -57.4868717  1     9     8     7
  H     1.10593515  1  110.0369646  1   58.8401113  1     9     8     7
  H     1.10591651  1  110.0493935  1   58.9365191  1    10     9     8
  H     1.10588802  1  110.0578814  1  -57.3969111  1    10     9     8
  H     1.10595166  1  110.0471523  1  -57.8238674  1    11    10     9
  H     1.10593399  1  110.0414053  1   58.5005816  1    11    10     9
  H     1.10592317  1  110.0494865  1   58.6628685  1    12    11    10
  H     1.10592324  1  110.0456214  1  -57.6715869  1    12    11    10
  H     1.10595017  1  110.0504463  1  -57.9785591  1    13    12    11
  H     1.10592737  1  110.0502764  1   58.3621978  1    13    12    11
  H     1.10592626  1  110.0613352  1   58.4788762  1    14    13    12
  H     1.10592228  1  110.0537790  1  -57.8694560  1    14    13    12
  H     1.10592504  1  110.0421545  1  -58.0589910  1    15    14    13
  H     1.10590455  1  110.0430348  1   58.2717500  1    15    14    13
  H     1.10582777  1  110.1064609  1   58.3500662  1    16    15    14
  H     1.10582423  1  110.0951269  1  -57.9721332  1    16    15    14
  C     1.53434619  1  110.7835197  1 -179.7962402  1    16    15    14
  H     1.10635336  1  110.0062202  1   58.1606285  1    48    16    15
  H     1.10639222  1  110.0050017  1  -58.0810267  1    48    16    15
  H     2.18152788  1   95.6609677  1 -155.9006513  1    48    16    15
  C     1.09538925  1   40.7213436  1 -125.4463509  1    51    48    16
  H     1.09563474  1  107.5414342  1  122.3651911  1    52    51    48
  H     1.09544624  1  107.5332037  1 -122.1350794  1    52    51    48
  C     1.53418842  1  110.3335675  1  -58.5397469  1     5     4     3
  H     1.10481975  1  110.0927413  1 -179.8343118  1    55     5     4
  H     1.10573638  1  109.9349652  1  -63.2959435  1    55     5     4