Accuracy

(e)-3,4-di-tert-butyl-3-hexene    348 (E)-3,4-Di-tert-butyl-3-hexene

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    #  Species Formula
   338 OctaleneC14H12
   339 StilbeneC14H12
   340 1,2,3,4-TetrahydrophenanthreneC14H14
   341 4,4'-DimethylbiphenylC14H14
   342 BibenzylC14H14
   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-hexene C14H28
   349 CyclotetradecaneC14H28
   350 n-NonylcyclopentaneC14H28
   351 OctylcyclohexaneC14H28
   352 3,3,4,4-TetraethylhexaneC14H30
   353 OctamethylhexaneC14H30
   354 TetradecaneC14H30
   355 4-MethylphenanthreneC15H12
   356 1-MethyldiadamantaneC15H22
   357 3-MethyladamantaneC15H22
   358 4-MethyldiadamantaneC15H22


ΔHf: -40.2 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
(E)-3,4-Di-tert-butyl-3-hexene
 H=-40.22 HR=NIST
  C    -0.06358889 +1   0.06422991 +1   0.07648054 +1
  C     1.46562542 +1   0.07240494 +1  -0.04707728 +1
  C     2.02086851 +1   1.47390177 +1  -0.03638377 +1
  C     2.56886592 +1   2.01817201 +1   1.07375113 +1
  C     3.12233384 +1   3.42037708 +1   1.08511460 +1
  C     2.72589880 +1   1.29452137 +1   2.41546336 +1
  C     3.19867896 +1   2.20270399 +1   3.57982595 +1
  C     1.39070100 +1   0.70316319 +1   2.91491208 +1
  C     3.79619455 +1   0.19574849 +1   2.25458090 +1
  C     1.86353868 +1   2.19700797 +1  -1.37834494 +1
  C     1.39161412 +1   1.28774661 +1  -2.54233654 +1
  C     0.79189951 +1   3.29454103 +1  -1.21825029 +1
  C     3.19807082 +1   2.78966074 +1  -1.87792492 +1
  H    -0.54800144 +1   0.45569922 +1  -0.82553289 +1
  H    -0.43861390 +1  -0.95082610 +1   0.24101366 +1
  H    -0.39971743 +1   0.69018477 +1   0.91086167 +1
  H     1.90290195 +1  -0.54470483 +1   0.76430697 +1
  H     1.77734362 +1  -0.47083912 +1  -0.96126282 +1
  H     2.80956578 +1   3.96216498 +1   1.99985934 +1
  C     4.65146105 +1   3.43231374 +1   0.96160314 +1
  H     2.68389474 +1   4.03700134 +1   0.27395792 +1
  H     4.16358637 +1   2.67632340 +1   3.37846865 +1
  H     2.46635971 +1   2.98704062 +1   3.79526723 +1
  H     3.32761998 +1   1.61514739 +1   4.49561296 +1
  H     0.56851084 +1   1.40434160 +1   2.73744153 +1
  H     1.14093792 +1  -0.24376370 +1   2.42929704 +1
  H     1.42173031 +1   0.49316150 +1   3.98936150 +1
  H     3.52616724 +1  -0.53748175 +1   1.48814223 +1
  H     4.75484496 +1   0.63322685 +1   1.95424082 +1
  H     3.94978837 +1  -0.34764950 +1   3.19137961 +1
  H     2.12078208 +1   0.49932201 +1  -2.75266258 +1
  H     0.42345918 +1   0.81961680 +1  -2.34328937 +1
  H     1.26923300 +1   1.87314555 +1  -3.46062359 +1
  H    -0.16750689 +1   2.85574321 +1  -0.92224532 +1
  H     1.05886231 +1   4.02584887 +1  -0.44881840 +1
  H     0.64106103 +1   3.83998591 +1  -2.15426413 +1
  H     3.44601903 +1   3.73750348 +1  -1.39297259 +1
  H     4.02098041 +1   2.08947929 +1  -1.69934047 +1
  H     3.16769801 +1   2.99817539 +1  -2.95277502 +1
  H     5.02514103 +1   4.45107277 +1   0.81671182 +1
  H     5.13667724 +1   3.02374200 +1   1.85546259 +1
  H     4.98828085 +1   2.82327684 +1   0.11534153 +1