Accuracy

meso-3,4-dicyclohexyl-2,5-dimethylhexane    401 Meso-3,4-dicyclohexyl-2,5-dimethylhexane

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


ΔHf: -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