PM7 Accuracy

DL-3,4-di-1-cyclohexen-1-yl-2,2,5,5-tetramethyl hexane    411 DL-3,4-di-1-cyclohexen-1-yl-2,2,5,5-tetramethyl hexane

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    #  Species Formula
   401 HexacyclopropylethaneC20H30
   402 Tetra-tert-butyltetrahedraneC20H36
   403 Meso-3,4-dicyclohexyl-2,5-dimethylhexaneC20H38
   404 TetradecylcyclohexaneC20H40
   405 EicosaneC20H42
   406 1,8-ParacyclophaneC21H26
   407 HexadecylcyclopentaneC21H42
   408 PentadecylcyclohexaneC21H42
   409 Tri-n-heptylboraneH45BC21
   410 1,1'-Diphenyl-1,1'-bicyclopentylC22H26
   411 DL-3,4-di-1-cyclohexen-1-yl-2,2,5,5-tetramethyl hexane C22H38
   412 Meso-3,4-di-1-cyclohexen-1-yl-2,2,5,5-tetramethyl hexaneC22H38
   413 n-HexadecylcyclohexaneC22H44
   414 p-QuaterphenylC24H18
   415 1,1'-Diphenyl-1,1'-bicyclohexylC24H30
   416 6,6'-ParacyclophaneC24H32
   417 Tri-n-octylboraneH51BC24
   418 TetraphenylmethaneC25H20
   419 9,9'-Bi-9H-fluoreneC26H18
   420 1,1,1,2-TetraphenylethaneC26H22
   421 1,1,2,2-TetraphenylethaneC26H22


DHf: -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