Accuracy

DL-3,4-di-1-cyclohexen-1-yl-2,2,5,5-tetramethyl hexane    409 DL-3,4-di-1-cyclohexen-1-yl-2,2,5,5-tetramethyl hexane

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    #  Species Formula
   399 HexacyclopropylethaneC20H30
   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 hexane C22H38
   410 Meso-3,4-di-1-cyclohexen-1-yl-2,2,5,5-tetramethyl hexaneC22H38
   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


ΔHf: -50.4 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
DL-3,4-di-1-cyclohexen-1-yl-2,2,5,5-tetramethyl hexane
 H=-50.4 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.53978350 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.57490227 +1  111.1957029 +1    0.0000000 +0     2     1     0
  C     1.55894301 +1  115.4348126 +1   75.8174307 +1     3     2     1
  C     1.57483973 +1  115.4577348 +1  179.9413098 +1     4     3     2
  C     1.53974411 +1  111.1968052 +1  -75.7527546 +1     5     4     3
  C     1.51182510 +1  108.5627303 +1  125.3755277 +1     3     2     4
  C     1.51203808 +1  110.9707938 +1  124.0880688 +1     4     3     5
  C     1.54578438 +1  106.3207500 +1 -118.6664052 +1     2     1     3
  C     1.53403740 +1  108.6106994 +1 -116.1620617 +1     2     1     9
  C     1.54576324 +1  109.1344676 +1 -116.9764035 +1     5     4     6
  C     1.53404252 +1  113.1783529 +1 -120.4660820 +1     5     4    11
  C     1.50327498 +1  114.9433109 +1  107.7239950 +1     7     3     2
  C     1.53466697 +1  112.5739087 +1  165.9257939 +1    13     7     3
  C     1.53190431 +1  109.9511991 +1   46.5573753 +1    14    13     7
  C     1.53500954 +1  109.6159679 +1  -62.4532421 +1    15    14    13
  C     1.33975707 +1  122.9596551 +1 -177.8478128 +1     7     3    13
  C     1.50328270 +1  114.9161872 +1  124.4528803 +1     8     4     3
  C     1.53474145 +1  112.6341114 +1 -166.1931416 +1    18     8     4
  C     1.53180182 +1  109.9915271 +1  -46.2440205 +1    19    18     8
  C     1.53488401 +1  109.5715956 +1   62.4307340 +1    20    19    18
  C     1.33985707 +1  122.9679534 +1  177.9114327 +1     8     4    18
  H     1.09549067 +1  111.8318572 +1  -76.5196372 +1     1     2     3
  H     1.09474235 +1  111.1512450 +1 -119.0942777 +1     1     2    23
  H     1.09350376 +1  111.8090031 +1 -120.2784951 +1     1     2    24
  H     1.11908493 +1  105.6836250 +1  117.0599256 +1     3     2     7
  H     1.11889278 +1  106.6552149 +1  118.8644288 +1     4     3     8
  H     1.09474511 +1  111.1867135 +1 -164.2247779 +1     6     5     4
  H     1.09342037 +1  111.8249465 +1  120.3420761 +1     6     5    28
  H     1.09564230 +1  111.7812027 +1  120.6325888 +1     6     5    29
  H     1.09555982 +1  111.7611556 +1 -175.3882269 +1     9     2     1
  H     1.09464121 +1  110.9249167 +1  119.0953931 +1     9     2    31
  H     1.09312523 +1  111.3227004 +1  119.8100784 +1     9     2    32
  H     1.09439162 +1  111.8120494 +1  -65.6161689 +1    10     2     1
  H     1.09482351 +1  111.6793746 +1 -121.2259108 +1    10     2    34
  H     1.09586800 +1  110.7768012 +1 -119.2697352 +1    10     2    35
  H     1.09465271 +1  110.9738269 +1  176.4690261 +1    11     5     4
  H     1.09316295 +1  111.3043820 +1 -119.8076585 +1    11     5    37
  H     1.09567700 +1  111.7443461 +1 -121.0858003 +1    11     5    38
  H     1.09588569 +1  110.7945505 +1 -178.3758989 +1    12     5     4
  H     1.09421431 +1  111.8495161 +1  119.5959858 +1    12     5    40
  H     1.09497617 +1  111.6324667 +1  121.2259501 +1    12     5    41
  H     1.10954730 +1  110.5382745 +1 -122.6145866 +1    13     7    14
  H     1.11026635 +1  108.9680317 +1 -115.5398311 +1    13     7    43
  H     1.10629036 +1  110.0382101 +1 -121.1943744 +1    14    13    15
  H     1.10421181 +1  110.1936193 +1 -116.7057877 +1    14    13    45
  H     1.10360855 +1  110.6603072 +1 -122.0056278 +1    15    14    16
  H     1.10588061 +1  109.9503610 +1 -117.0769796 +1    15    14    47
  H     1.11071981 +1  109.8102776 +1  -74.9128040 +1    16    15    14
  H     1.10821630 +1  109.7653235 +1 -115.8311223 +1    16    15    49
  H     1.08753183 +1  121.6235443 +1   -3.0137305 +1    17     7     3
  H     1.11032008 +1  108.9611910 +1 -121.8950474 +1    18     8    19
  H     1.10969006 +1  110.5279628 +1 -115.5252145 +1    18     8    52
  H     1.10423545 +1  110.1815498 +1 -122.1278864 +1    19    18    20
  H     1.10624564 +1  110.0206219 +1 -116.6655887 +1    19    18    54
  H     1.10598967 +1  109.9627285 +1 -120.9050042 +1    20    19    21
  H     1.10358312 +1  110.6495208 +1 -117.0971611 +1    20    19    56
  H     1.10811618 +1  109.7851031 +1 -169.5994744 +1    21    20    19
  H     1.11075921 +1  109.8100391 +1 -115.7627242 +1    21    20    58
  H     1.08754732 +1  121.6472762 +1    3.0116129 +1    22     8     4