Accuracy

decylcyclohexane    373 Decylcyclohexane

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    #  Species Formula
   363 PyreneC16H10
   364 2,7-DimethylphenanthreneC16H14
   365 4,5,9,10-TetrahydropyreneC16H14
   366 9,10-DimethylphenanthreneC16H14
   367 (2.2)MetaparacyclophaneC16H16
   368 [2.2]MetacyclophaneC16H16
   369 [2.2]ParacyclophaneC16H16
   370 1,2,3,6,7,8-HexahydropyreneC16H18
   371 Tricyclo[8.2.2.2]-hexadecaneC16H28
   372 1-HexadeceneC16H32
   373 Decylcyclohexane C16H32
   374 n-UndecylcyclopentaneC16H32
   375 n-DodecylcyclopentaneC17H34
   376 UndecylcyclohexaneC17H34
   377 HeptadecaneC17H36
   378 p-TerphenylC18H14
   379 2,5-Diphenyl-1,5-hexadieneC18H18
   380 3,4,5,6-TetramethylphenanthreneC18H18
   381 [3.3]ParacyclophaneC18H20
   382 1,1'-(1,1,2,2-Tetramethyl-1,2-ethanediyl)bis-benzeneC18H22
   383 DodecylcyclohexaneC18H36


ΔHf: -80.5 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
Decylcyclohexane
 H=-80.51 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.53415862 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.53437055 +1  110.6411659 +1    0.0000000 +0     2     1     0
  C     1.53423398 +1  110.5420081 +1  -56.8721342 +1     3     2     1
  C     1.53408792 +1  110.6673263 +1   56.7523492 +1     4     3     2
  C     1.53916893 +1  110.5507786 +1  -57.7721918 +1     5     4     3
  C     1.53937716 +1  110.9439311 +1  179.5899761 +1     6     5     4
  C     1.53380482 +1  111.5859227 +1   73.8118374 +1     7     6     5
  C     1.53440549 +1  110.5967343 +1 -179.6576190 +1     8     7     6
  C     1.53409474 +1  110.6040894 +1 -179.1392886 +1     9     8     7
  C     1.53402321 +1  110.6922122 +1 -179.6847870 +1    10     9     8
  C     1.53415095 +1  110.6636012 +1 -179.5699831 +1    11    10     9
  C     1.53413253 +1  110.6820806 +1 -179.8506195 +1    12    11    10
  C     1.53400112 +1  110.6716741 +1 -179.7159282 +1    13    12    11
  C     1.53473035 +1  110.7619046 +1 -179.8768423 +1    14    13    12
  C     1.52892805 +1  110.8637942 +1 -179.8484745 +1    15    14    13
  H     1.10454433 +1  109.9486866 +1  179.6618473 +1     1     2     3
  H     1.10592110 +1  109.8867194 +1 -121.5924871 +1     2     1     3
  H     1.10461960 +1  110.1675373 +1 -122.0698631 +1     3     2     4
  H     1.10487777 +1  110.1148181 +1  121.9363901 +1     4     3     5
  H     1.10521990 +1  109.9758068 +1  121.6534329 +1     5     4     6
  H     1.10522308 +1  110.0413965 +1 -122.6211365 +1     7     6     8
  H     1.10652025 +1  109.7005222 +1 -115.9493661 +1     7     6    22
  H     1.10576998 +1  110.2885868 +1  121.7383262 +1     8     7     9
  H     1.10588116 +1  109.9941078 +1  116.4747602 +1     8     7    24
  H     1.10569265 +1  110.0523970 +1 -121.7863922 +1     9     8    10
  H     1.10573126 +1  110.0705953 +1 -116.4507106 +1     9     8    26
  H     1.10579487 +1  110.0773829 +1  121.8039833 +1    10     9    11
  H     1.10584793 +1  110.0311895 +1  116.4040073 +1    10     9    28
  H     1.10574676 +1  110.0795780 +1 -121.8012569 +1    11    10    12
  H     1.10581682 +1  110.0542314 +1 -116.4242573 +1    11    10    30
  H     1.10575881 +1  110.0825240 +1  121.7980421 +1    12    11    13
  H     1.10583760 +1  110.0426064 +1  116.4173993 +1    12    11    32
  H     1.10574510 +1  110.0632993 +1 -121.8041351 +1    13    12    14
  H     1.10581489 +1  110.0373793 +1 -116.4117015 +1    13    12    34
  H     1.10564410 +1  110.1212810 +1  121.8073230 +1    14    13    15
  H     1.10571214 +1  110.0879840 +1  116.3968647 +1    14    13    36
  H     1.10620201 +1  110.0358585 +1 -121.8474734 +1    15    14    16
  H     1.10626762 +1  110.0109191 +1 -116.3198600 +1    15    14    38
  H     1.09566636 +1  111.4240446 +1  -59.9432616 +1    16    15    14
  H     1.09565133 +1  111.4191808 +1  120.0886599 +1    16    15    40
  H     1.09542542 +1  111.2690982 +1  119.9472195 +1    16    15    41
  H     1.10502246 +1  110.0568278 +1  116.7232365 +1     1     2    17
  H     1.10489383 +1  110.0687154 +1 -116.4741726 +1     2     1    18
  H     1.10604124 +1  109.8092916 +1 -116.5219387 +1     3     2    19
  H     1.10597878 +1  109.8778243 +1  116.4703488 +1     4     3    20
  H     1.10476058 +1  109.9594700 +1  116.4677166 +1     5     4    21
  H     1.11518048 +1  108.9325425 +1  120.0352004 +1     6     5     7