Accuracy

octamethylhexane    353 Octamethylhexane

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    #  Species Formula
   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-NonylcyclopentaneC14H28
   351 OctylcyclohexaneC14H28
   352 3,3,4,4-TetraethylhexaneC14H30
   353 Octamethylhexane C14H30
   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
   361 PentadecaneC15H32
   362 FluorantheneC16H10
   363 PyreneC16H10


ΔHf: -59.4 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
Octamethylhexane
 H=-59.35 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.55526841 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.59834811 +1  110.0196456 +1    0.0000000 +0     2     1     0
  C     1.59580952 +1  117.1651874 +1 -164.4496887 +1     3     2     1
  C     1.59806884 +1  117.2142673 +1 -159.1979479 +1     4     3     2
  C     1.55497909 +1  110.1688703 +1 -164.2311190 +1     5     4     3
  C     1.53754875 +1  105.4812200 +1 -123.7903987 +1     2     1     3
  C     1.54453716 +1  104.9153146 +1  122.1797693 +1     2     1     3
  C     1.53980036 +1  105.6535915 +1   71.3792025 +1     3     2     1
  C     1.54812812 +1  106.5421951 +1  -42.4991761 +1     3     2     1
  C     1.54011058 +1  111.0175554 +1  -37.7967360 +1     4     3     2
  C     1.54789771 +1  108.7851077 +1   79.9662927 +1     4     3     2
  C     1.53854451 +1  114.2804490 +1  -45.8612653 +1     5     4     3
  C     1.54442464 +1  113.3566642 +1   78.5143602 +1     5     4     3
  H     1.09508601 +1  110.5725669 +1 -169.8621348 +1     1     2     3
  H     1.09313883 +1  112.0568705 +1   71.2587568 +1     1     2     3
  H     1.09291967 +1  112.0968176 +1  -50.3221551 +1     1     2     3
  H     1.09530666 +1  110.5932673 +1 -169.7966208 +1     6     5     4
  H     1.09318469 +1  112.0899578 +1   71.2860802 +1     6     5     4
  H     1.09298809 +1  112.0697293 +1  -50.2773607 +1     6     5     4
  H     1.09574192 +1  112.2228511 +1 -174.6802804 +1     7     2     1
  H     1.09507292 +1  111.6318394 +1   63.7325559 +1     7     2     1
  H     1.09606852 +1  110.8660810 +1  -55.3807982 +1     7     2     1
  H     1.09462180 +1  111.5659889 +1  -51.5104806 +1     8     2     1
  H     1.09022268 +1  113.3627280 +1 -172.7469748 +1     8     2     1
  H     1.09579651 +1  110.6402653 +1   67.3744664 +1     8     2     1
  H     1.09614623 +1  111.8830904 +1 -165.8515154 +1     9     3     2
  H     1.09530405 +1  111.3479122 +1   73.1334405 +1     9     3     2
  H     1.09543099 +1  111.8273900 +1  -46.9417089 +1     9     3     2
  H     1.09109185 +1  112.6573940 +1 -166.0273631 +1    10     3     2
  H     1.09483435 +1  111.4562329 +1   74.6243726 +1    10     3     2
  H     1.09412083 +1  111.7323847 +1  -45.9032753 +1    10     3     2
  H     1.09546942 +1  111.8064686 +1 -175.0680356 +1    11     4     3
  H     1.09608523 +1  111.8306687 +1   66.0500531 +1    11     4     3
  H     1.09512296 +1  111.3806441 +1  -54.9856854 +1    11     4     3
  H     1.09413218 +1  111.7296965 +1   81.1751118 +1    12     4     3
  H     1.09114992 +1  112.6747467 +1  -38.9530399 +1    12     4     3
  H     1.09482790 +1  111.4683816 +1 -158.3004655 +1    12     4     3
  H     1.09609196 +1  110.8400068 +1 -176.4261413 +1    13     5     4
  H     1.09557856 +1  112.2779575 +1   64.2554381 +1    13     5     4
  H     1.09508139 +1  111.5988864 +1  -57.3533570 +1    13     5     4
  H     1.09456758 +1  111.5931288 +1   68.3820501 +1    14     5     4
  H     1.09032235 +1  113.2745366 +1  -52.8379437 +1    14     5     4
  H     1.09592113 +1  110.6378007 +1 -172.6914880 +1    14     5     4