Accuracy

undecylcyclohexane    376 Undecylcyclohexane

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    #  Species Formula
   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 DecylcyclohexaneC16H32
   374 n-UndecylcyclopentaneC16H32
   375 n-DodecylcyclopentaneC17H34
   376 Undecylcyclohexane C17H34
   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
   384 n-TridecylcyclopentaneC18H36
   385 1,1,2,2-Tetra-t-butylethaneC18H38
   386 OctadecaneC18H38


ΔHf: -85.4 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
Undecylcyclohexane
 H=-85.43 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.53436013 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.53400474 +1  110.6889552 +1    0.0000000 +0     2     1     0
  C     1.53902551 +1  110.6000952 +1  -57.5948265 +1     3     2     1
  C     1.54054013 +1  109.6661300 +1   57.9290248 +1     4     3     2
  C     1.53932311 +1  110.9437295 +1  121.3562892 +1     4     3     5
  C     1.53372541 +1  111.6237025 +1   73.1324178 +1     6     4     3
  C     1.53431579 +1  110.5974233 +1  179.4938687 +1     7     6     4
  C     1.53398830 +1  110.6103892 +1 -179.7410854 +1     8     7     6
  C     1.53393167 +1  110.6932490 +1  179.9763454 +1     9     8     7
  C     1.53399055 +1  110.6772247 +1 -179.8812215 +1    10     9     8
  C     1.53407729 +1  110.6806386 +1  179.8708173 +1    11    10     9
  C     1.53401990 +1  110.6715527 +1 -179.9918175 +1    12    11    10
  C     1.53392531 +1  110.6856661 +1  179.8442965 +1    13    12    11
  C     1.53463029 +1  110.7581283 +1  179.9491711 +1    14    13    12
  C     1.52891014 +1  110.8720936 +1  179.9109394 +1    15    14    13
  H     1.10469020 +1  110.1174727 +1  178.7127913 +1     1     2     3
  H     1.10568644 +1  109.9022261 +1  116.6756627 +1     1     2    17
  H     1.10587250 +1  109.8573206 +1 -121.6051780 +1     2     1     3
  H     1.10485300 +1  110.0975757 +1 -116.4786287 +1     2     1    19
  H     1.10466576 +1  109.9600293 +1 -121.9689228 +1     3     2     4
  H     1.10535916 +1  109.9253027 +1 -116.4018973 +1     3     2    21
  H     1.11528538 +1  108.8077591 +1  119.9737708 +1     4     3     6
  H     1.10455805 +1  110.1252045 +1 -179.7925918 +1     5     4     3
  H     1.10497200 +1  110.0146206 +1 -116.8099520 +1     5     4    24
  H     1.10517002 +1  110.0292936 +1 -122.6560511 +1     6     4     7
  H     1.10655281 +1  109.6478481 +1 -115.9021872 +1     6     4    26
  H     1.10575845 +1  110.2542271 +1  121.7601794 +1     7     6     8
  H     1.10585369 +1  110.0034270 +1  116.4444792 +1     7     6    28
  H     1.10570133 +1  110.0442942 +1 -121.8096065 +1     8     7     9
  H     1.10572062 +1  110.0481145 +1 -116.4068554 +1     8     7    30
  H     1.10578467 +1  110.0558439 +1  121.8341095 +1     9     8    10
  H     1.10583076 +1  110.0259508 +1  116.3675008 +1     9     8    32
  H     1.10575180 +1  110.0669500 +1 -121.8359167 +1    10     9    11
  H     1.10581711 +1  110.0303395 +1 -116.3682325 +1    10     9    34
  H     1.10574796 +1  110.0558170 +1  121.8306128 +1    11    10    12
  H     1.10582886 +1  110.0309847 +1  116.3789409 +1    11    10    36
  H     1.10575411 +1  110.0704118 +1 -121.8243896 +1    12    11    13
  H     1.10582594 +1  110.0302089 +1 -116.3835724 +1    12    11    38
  H     1.10573962 +1  110.0463286 +1  121.8360506 +1    13    12    14
  H     1.10580894 +1  110.0259649 +1  116.3664709 +1    13    12    40
  H     1.10563919 +1  110.1105400 +1 -121.8323153 +1    14    13    15
  H     1.10570121 +1  110.0743363 +1 -116.3648139 +1    14    13    42
  H     1.10617928 +1  110.0169250 +1  121.8789138 +1    15    14    16
  H     1.10624493 +1  109.9968802 +1  116.2791053 +1    15    14    44
  H     1.09564028 +1  111.4300149 +1   60.0071599 +1    16    15    14
  H     1.09563184 +1  111.4140047 +1 -120.0929122 +1    16    15    46
  H     1.09541460 +1  111.2633897 +1 -119.9401016 +1    16    15    47
  C     1.53432773 +1  110.5218044 +1  121.4767765 +1     1     2    18
  H     1.10482335 +1  110.0889340 +1 -178.8225208 +1    49     1     2
  H     1.10567248 +1  109.9800708 +1 -116.6078430 +1    49     1    50