Accuracy

meso-3,4-di-1-cyclohexen-1-yl-2,2,5,5-tetramethyl hexane    410 Meso-3,4-di-1-cyclohexen-1-yl-2,2,5,5-tetramethyl hexane

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    #  Species Formula
   400 Tetra-tert-butyltetrahedraneC20H36
   401 Meso-3,4-dicyclohexyl-2,5-dimethylhexaneC20H38
   402 TetradecylcyclohexaneC20H40
   403 EicosaneC20H42
   404 1,8-ParacyclophaneC21H26
   405 HexadecylcyclopentaneC21H42
   406 PentadecylcyclohexaneC21H42
   407 Tri-n-heptylboraneH45BC21
   408 1,1'-Diphenyl-1,1'-bicyclopentylC22H26
   409 DL-3,4-di-1-cyclohexen-1-yl-2,2,5,5-tetramethyl hexaneC22H38
   410 Meso-3,4-di-1-cyclohexen-1-yl-2,2,5,5-tetramethyl hexane C22H38
   411 n-HexadecylcyclohexaneC22H44
   412 p-QuaterphenylC24H18
   413 1,1'-Diphenyl-1,1'-bicyclohexylC24H30
   414 6,6'-ParacyclophaneC24H32
   415 Tri-n-octylboraneH51BC24
   416 TetraphenylmethaneC25H20
   417 9,9'-Bi-9H-fluoreneC26H18
   418 1,1,1,2-TetraphenylethaneC26H22
   419 1,1,2,2-TetraphenylethaneC26H22
   420 Pentacyclo hexacosa nonaneC26H26


ΔHf: -58.4 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.
  
 INT PM7
Meso-3,4-di-1-cyclohexen-1-yl-2,2,5,5-tetramethyl hexane
 H=-58.4 HR=NIST
  C     0.00000000 +1   0.00000000 +1   0.00000000 +1
  C     1.53416447 +1   0.00000000 +1   0.00000000 +1
  C     2.15177141 +1   1.45100302 +1   0.00000000 +1
  C     1.47040890 +1   2.45405116 +1   0.97756851 +1
  C     2.03320118 +1   3.92258686 +1   0.96323006 +1
  C     1.51212651 +1   4.67339994 +1   2.20909860 +1
  C     2.14047838 +1   1.97394135 +1  -1.41822202 +1
  C     1.47039661 +1   1.93321033 +1   2.39877730 +1
  C     2.01885870 +1  -0.80761084 +1   1.21788568 +1
  C     2.01848658 +1  -0.76843473 +1  -1.24963848 +1
  C     1.50524795 +1   4.70294059 +1  -0.25751819 +1
  C     3.56532572 +1   3.99190062 +1   0.94446664 +1
  C     3.48834097 +1   2.04457177 +1  -2.08031944 +1
  C     3.47203470 +1   2.91214868 +1  -3.34604648 +1
  C     2.28199654 +1   2.52107981 +1  -4.22806845 +1
  C     0.97123151 +1   2.79316758 +1  -3.47705661 +1
  C     1.01472887 +1   2.30196814 +1  -2.06654656 +1
  C     2.78709661 +1   1.69032901 +1   3.07667258 +1
  C     2.65225441 +1   0.82266002 +1   4.33658356 +1
  C     1.50699993 +1   1.34741510 +1   5.20809063 +1
  C     0.18322976 +1   1.24684382 +1   4.43737775 +1
  C     0.30400100 +1   1.75529475 +1   3.03777939 +1
  H    -0.40590317 +1   0.52273116 +1  -0.87157892 +1
  H    -0.39039648 +1  -1.02340655 +1  -0.02660890 +1
  H    -0.40400048 +1   0.47387295 +1   0.90067229 +1
  H     3.21092993 +1   1.33316832 +1   0.33838031 +1
  H     0.40462200 +1   2.54343269 +1   0.63717540 +1
  H     1.77697865 +1   5.73427008 +1   2.17004693 +1
  H     0.42220791 +1   4.60312785 +1   2.28414313 +1
  H     1.92797707 +1   4.27438160 +1   3.13904338 +1
  H     3.10309862 +1  -0.74884118 +1   1.34059779 +1
  H     1.75664245 +1  -1.86598220 +1   1.11646173 +1
  H     1.54905156 +1  -0.45824782 +1   2.14448701 +1
  H     3.10993492 +1  -0.79826546 +1  -1.30094538 +1
  H     1.65996148 +1  -1.80262870 +1  -1.23640119 +1
  H     1.64626162 +1  -0.31602786 +1  -2.17543188 +1
  H     2.01479161 +1   4.40740662 +1  -1.18093940 +1
  H     0.43329302 +1   4.54760825 +1  -0.40573102 +1
  H     1.67021963 +1   5.77865625 +1  -0.13918176 +1
  H     4.01640244 +1   3.51127212 +1   1.81528921 +1
  H     3.97659908 +1   3.51256286 +1   0.04938853 +1
  H     3.90555482 +1   5.03385226 +1   0.93694760 +1
  H     4.25242177 +1   2.43345373 +1  -1.37648759 +1
  H     3.81736642 +1   1.01567601 +1  -2.33742251 +1
  H     3.40345723 +1   3.98150446 +1  -3.07160022 +1
  H     4.41969445 +1   2.79697771 +1  -3.90061460 +1
  H     2.30290425 +1   3.07918929 +1  -5.17996154 +1
  H     2.34674939 +1   1.45026584 +1  -4.49640188 +1
  H     0.75852914 +1   3.88341928 +1  -3.47478362 +1
  H     0.12512550 +1   2.32423153 +1  -4.01799450 +1
  H     0.04228306 +1   2.25255196 +1  -1.58120313 +1
  H     3.50936914 +1   1.22436312 +1   2.37754550 +1
  H     3.23118249 +1   2.66990785 +1   3.36047530 +1
  H     2.46223588 +1  -0.23076865 +1   4.05827218 +1
  H     3.60112725 +1   0.82306625 +1   4.90129483 +1
  H     1.44537439 +1   0.78074145 +1   6.15313366 +1
  H     1.69887323 +1   2.39928528 +1   5.49047920 +1
  H    -0.15680691 +1   0.18972720 +1   4.41000543 +1
  H    -0.60778665 +1   1.80228972 +1   4.97968705 +1
  H    -0.64867149 +1   1.96437439 +1   2.55706188 +1