PM7 Accuracy

octylcyclohexane    353 Octylcyclohexane

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    #  Species Formula
   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-NonylcyclopentaneC14H28
   353 Octylcyclohexane C14H28
   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
   363 PentadecaneC15H32


DHf: -70.7 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
Octylcyclohexane
 H=-70.65 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.53436651  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.53430150  1  110.7004562  1    0.0000000  0     2     1     0
  C     1.53425397  1  110.5945497  1  -56.6636489  1     3     2     1
  C     1.53406073  1  110.6430691  1   56.7243655  1     4     3     2
  C     1.54059347  1  110.4820194  1   57.7295994  1     1     2     3
  C     1.53947134  1  109.7624519  1  179.6945576  1     6     1     2
  C     1.53391706  1  111.5267418  1 -164.1999333  1     7     6     1
  C     1.53440797  1  110.5874541  1 -179.4503787  1     8     7     6
  C     1.53416353  1  110.5935256  1 -179.1420005  1     9     8     7
  C     1.53409463  1  110.6727573  1 -179.7252019  1    10     9     8
  C     1.53402122  1  110.6695345  1 -179.6994817  1    11    10     9
  C     1.53480307  1  110.7519060  1 -179.8916207  1    12    11    10
  C     1.52888451  1  110.8505974  1 -179.8529436  1    13    12    11
  H     1.10446999  1  109.9503463  1  121.8218486  1     1     2     6
  H     1.10512523  1  109.9698610  1  116.6115944  1     1     2    15
  H     1.10594903  1  109.8576207  1 -121.5981871  1     2     1     3
  H     1.10485025  1  110.0540571  1 -116.4382093  1     2     1    17
  H     1.10460650  1  110.1538110  1 -122.0855936  1     3     2     4
  H     1.10605002  1  109.8006316  1 -116.4976311  1     3     2    19
  H     1.10585813  1  109.8860851  1 -121.6135928  1     4     3     5
  H     1.10485348  1  110.0917498  1 -116.4966418  1     4     3    21
  H     1.10467138  1  109.9716561  1 -179.6963506  1     5     4     3
  H     1.10504518  1  110.0547178  1 -116.5997610  1     5     4    23
  H     1.11517491  1  108.6556240  1 -119.1876194  1     6     1     7
  H     1.10642057  1  109.7474293  1  121.4179436  1     7     6     8
  H     1.10513057  1  110.0443514  1  115.9458490  1     7     6    26
  H     1.10574975  1  110.0164221  1 -121.8305188  1     8     7     9
  H     1.10583999  1  110.2409509  1 -116.4121881  1     8     7    28
  H     1.10561363  1  110.0861807  1  121.7912934  1     9     8    10
  H     1.10573160  1  110.0264208  1  116.4228963  1     9     8    30
  H     1.10571493  1  110.0617658  1 -121.8140676  1    10     9    11
  H     1.10583591  1  110.0563367  1 -116.3783773  1    10     9    32
  H     1.10568351  1  110.0585155  1  121.8190868  1    11    10    12
  H     1.10577296  1  110.0417147  1  116.3686693  1    11    10    34
  H     1.10558330  1  110.1037573  1 -121.8245778  1    12    11    13
  H     1.10567805  1  110.0925200  1 -116.3562601  1    12    11    36
  H     1.10613439  1  110.0169079  1  121.8705776  1    13    12    14
  H     1.10622164  1  110.0062772  1  116.2787870  1    13    12    38
  H     1.09559470  1  111.4225254  1   60.1765794  1    14    13    12
  H     1.09561894  1  111.4207377  1 -120.0928356  1    14    13    40
  H     1.09540967  1  111.2619386  1 -119.9480114  1    14    13    41