Accuracy

tricyclo(8.2.2.2)-hexadecane    371 Tricyclo[8.2.2.2]-hexadecane

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    #  Species Formula
   361 PentadecaneC15H32
   362 FluorantheneC16H10
   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]-hexadecane C16H28
   372 1-HexadeceneC16H32
   373 DecylcyclohexaneC16H32
   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


ΔHf: -36.4 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
Tricyclo[8.2.2.2]-hexadecane
 H=-36.4 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.53576607 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.52963262 +1  112.5591336 +1    0.0000000 +0     2     1     0
  C     1.53774835 +1  114.1518634 +1  -58.4710518 +1     3     2     1
  C     1.54402617 +1  110.0424962 +1   10.3729043 +1     4     3     2
  C     1.53519647 +1  113.2147746 +1   45.2833713 +1     5     4     3
  C     3.61591466 +1   90.4550878 +1  109.9257879 +1     3     2     4
  C     1.54717577 +1   72.6442130 +1  133.9514607 +1     7     3     2
  C     1.53182145 +1  115.0211609 +1  103.3206362 +1     8     7     3
  C     1.54418167 +1  113.1184994 +1  -49.1138390 +1     9     8     7
  C     1.53467246 +1  106.1116712 +1   60.3868864 +1    10     9     8
  C     1.52711370 +1  111.9336745 +1  -61.7410647 +1    11    10     9
  C     1.56141830 +1   66.6727336 +1 -119.7517499 +1     7     3     8
  C     1.54235243 +1  118.8617923 +1  -75.2233775 +1    13     7     3
  C     1.55493141 +1  114.2024152 +1  124.4947841 +1     4     3     5
  C     1.54013902 +1  116.2587299 +1   32.1830676 +1    15     4     3
  H     1.10624414 +1  110.0311051 +1  122.9744959 +1     2     1     3
  H     1.10953859 +1  107.7994433 +1   11.1190359 +1     3     2     7
  H     1.10532056 +1  109.8664675 +1  122.8496093 +1     5     4     6
  H     1.10646093 +1  109.0206976 +1   66.9384055 +1     6     5     4
  H     1.10981717 +1  109.8251125 +1 -122.3891337 +1     8     7     9
  H     1.10545092 +1  109.4912295 +1 -122.9938328 +1     9     8    10
  H     1.10613323 +1  110.4169879 +1 -122.7847742 +1    11    10    12
  H     1.10603673 +1  109.3989308 +1  176.7221795 +1    12    11    10
  H     1.10896084 +1  106.9509744 +1 -121.7346196 +1    13     7    14
  H     1.10567136 +1  109.6767400 +1 -112.7274388 +1    13     7    25
  H     1.11170742 +1  106.3655050 +1 -147.0999256 +1    14    13     7
  H     1.10492120 +1  109.5614854 +1  112.1638560 +1    14    13    27
  H     1.10381271 +1  109.0642768 +1 -125.6105968 +1    15     4    16
  H     1.10778603 +1  107.6139206 +1 -112.3196427 +1    15     4    29
  H     1.10884270 +1  107.8815017 +1  115.7490816 +1    16    15     4
  H     1.10539360 +1  109.7547747 +1 -112.4568881 +1    16    15    31
  H     1.12362635 +1  105.8913122 +1  161.1423409 +1     1     2     3
  H     1.10781256 +1  109.1282962 +1  115.2340618 +1     2     1    17
  H     1.10438749 +1  109.6631031 +1  115.3106111 +1     3     2    18
  H     1.11800724 +1  107.6593171 +1  118.4872111 +1     4     3    15
  H     1.10687965 +1  108.9367033 +1  115.3414035 +1     5     4    19
  H     1.10578997 +1  109.1995418 +1  114.1365189 +1     6     5    20
  H     1.11651703 +1  174.1755687 +1   28.7745306 +1     7     3    13
  H     1.10654625 +1  108.6715323 +1 -114.6549007 +1     8     7    21
  H     1.10719931 +1  109.4087065 +1 -115.5500408 +1     9     8    22
  H     1.12120651 +1  107.3612168 +1  113.8541001 +1    10     9    11
  H     1.10782843 +1  109.0040004 +1 -115.5141767 +1    11    10    23
  H     1.11166516 +1  107.7201442 +1  115.6488238 +1    12    11    24