PM7 Accuracy

meso-3,4-dicyclohexyl-2,5-dimethylhexane    403 Meso-3,4-dicyclohexyl-2,5-dimethylhexane

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    #  Species Formula
   393 n-TetradecylcyclopentaneC19H38
   394 n-TridecylcyclohexaneC19H38
   395 NonadecaneC19H40
   396 9,10-Dihydro-9,10[1',2']benzanthraceneC20H14
   397 3,9-Dimethylbenz[a]anthraceneC20H16
   398 5,6-Dimethyl chryseneC20H16
   399 9,10-Dimethyl-1,2-benzanthraceneC20H16
   400 1,3,5-Tri-tert-butyl pentaleneC20H30
   401 HexacyclopropylethaneC20H30
   402 Tetra-tert-butyltetrahedraneC20H36
   403 Meso-3,4-dicyclohexyl-2,5-dimethylhexane C20H38
   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 hexaneC22H38
   412 Meso-3,4-di-1-cyclohexen-1-yl-2,2,5,5-tetramethyl hexaneC22H38
   413 n-HexadecylcyclohexaneC22H44


DHf: -71.6 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
Meso-3,4-dicyclohexyl-2,5-dimethylhexane
 H=-71.6 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.53415625  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.54554952  1  110.6099259  1    0.0000000  0     2     1     0
  C     1.53387639  1  110.6299707  1   57.9140291  1     1     2     3
  C     1.53417452  1  110.2775408  1  -56.8405936  1     4     1     2
  C     1.53529130  1  110.3041789  1   57.4660066  1     5     4     1
  C     1.55352467  1  109.5409313  1  174.8969287  1     3     2     1
  C     2.98612960  1  159.6332636  1   12.0024600  1     7     3     2
  C     1.53547930  1  159.7737870  1  -11.8702528  1     8     7     3
  C     1.53393003  1  110.3563517  1   -1.6408613  1     9     8     7
  C     1.53761032  1   59.9471929  1   66.0499225  1     8     7     9
  C     1.54548224  1  108.8511169  1 -101.1778116  1    11     8     7
  C     1.55138756  1  112.9914212  1   67.5484322  1     7     3     8
  C     1.53385032  1  110.2730128  1   57.4365376  1    10     9     8
  C     1.54979636  1  115.7348732  1   91.2487421  1    13     7     3
  C     1.55050058  1  112.5484202  1  133.2848920  1     7     3    13
  C     1.54070454  1  109.3110427  1   80.7259563  1    16     7     3
  C     1.53140524  1  115.8349314  1 -122.8416858  1    16     7    17
  C     1.53159378  1  115.8150423  1   89.7644911  1    15    13     7
  C     1.54079602  1  109.2533190  1  122.8384213  1    15    13    19
  H     1.10481781  1  110.0116418  1  121.9039262  1     1     2     4
  H     1.10558934  1  109.9652181  1  116.4746199  1     1     2    21
  H     1.10489867  1  110.0279559  1 -121.7391142  1     2     1     3
  H     1.10474311  1  109.6837118  1 -116.5210027  1     2     1    23
  H     1.11791289  1  107.6838226  1 -116.6150255  1     3     2     7
  H     1.10431078  1  110.2110933  1 -121.9094092  1     4     1     5
  H     1.10562377  1  109.9802334  1 -116.6967310  1     4     1    26
  H     1.10510306  1  110.0644745  1 -121.6828866  1     5     4     6
  H     1.10453022  1  110.1929800  1 -116.6657481  1     5     4    28
  H     1.10357703  1  109.7978403  1  178.5717617  1     6     5     4
  H     1.10570288  1  109.4995910  1 -116.0884962  1     6     5    30
  H     1.12841184  1  104.6614058  1  113.3045065  1     7     3    16
  H     1.10372047  1   90.4870045  1  113.5769041  1     8     7    11
  H     1.10563114  1   63.0604273  1  107.8703181  1     8     7    33
  H     1.10459786  1  109.9872794  1 -121.8004581  1     9     8    10
  H     1.10525644  1  110.0714162  1 -116.5451731  1     9     8    35
  H     1.10570643  1  109.9380336  1 -121.3830722  1    10     9    14
  H     1.10424544  1  110.2644530  1 -116.6701616  1    10     9    37
  H     1.11794902  1  107.9656556  1 -116.6484243  1    11     8    12
  H     1.10468528  1  110.1382238  1 -179.8571258  1    12    11     8
  H     1.10483281  1  110.0426318  1 -116.8676035  1    12    11    40
  H     1.12820942  1  104.7487496  1 -114.9047336  1    13     7    15
  H     1.10570552  1  109.9416809  1   64.6918981  1    14    10     9
  H     1.10474900  1  110.1377016  1  116.5083705  1    14    10    43
  H     1.11948033  1  107.4307953  1  116.6354761  1    15    13    20
  H     1.11946945  1  107.3448785  1 -120.4861123  1    16     7    18
  H     1.09480861  1  111.3687224  1  -60.3381794  1    17    16     7
  H     1.09452840  1  111.5502993  1  120.3961477  1    17    16    47
  H     1.09461249  1  111.0693774  1  119.7642141  1    17    16    48
  H     1.09616677  1  111.7117321  1  -58.7924068  1    18    16     7
  H     1.09599618  1  110.7504460  1 -119.1569622  1    18    16    50
  H     1.09490061  1  111.9410738  1 -119.7266907  1    18    16    51
  H     1.09504669  1  111.9052170  1   62.0479581  1    19    15    13
  H     1.09603199  1  111.6870079  1 -120.9652005  1    19    15    53
  H     1.09576124  1  110.8123470  1 -119.3417161  1    19    15    54
  H     1.09481160  1  111.3671663  1  -59.9229925  1    20    15    13
  H     1.09450359  1  111.5265823  1  120.3820834  1    20    15    56
  H     1.09458078  1  111.0757969  1  119.7685269  1    20    15    57