PM7 Accuracy

   373 Tricyclo[8.2.2.2]-hexadecane

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    #  Species Formula
   363 PentadecaneC15H32
   364 FluorantheneC16H10
   365 PyreneC16H10
   366 2,7-DimethylphenanthreneC16H14
   367 4,5,9,10-TetrahydropyreneC16H14
   368 9,10-DimethylphenanthreneC16H14
   369 (2.2)MetaparacyclophaneC16H16
   370 [2.2]MetacyclophaneC16H16
   371 [2.2]ParacyclophaneC16H16
   372 1,2,3,6,7,8-HexahydropyreneC16H18
   373 Tricyclo[8.2.2.2]-hexadecane C16H28
   374 1-HexadeceneC16H32
   375 DecylcyclohexaneC16H32
   376 n-UndecylcyclopentaneC16H32
   377 n-DodecylcyclopentaneC17H34
   378 UndecylcyclohexaneC17H34
   379 HeptadecaneC17H36
   380 p-TerphenylC18H14
   381 2,5-Diphenyl-1,5-hexadieneC18H18
   382 3,4,5,6-TetramethylphenanthreneC18H18
   383 [3.3]ParacyclophaneC18H20



DHf: -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.

  

Tricyclo[8.2.2.2]-hexadecane
 H=-36.4 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0                     0.0000
  C     1.54037815  1    0.0000000  0    0.0000000  0     1     0     0   0.0000
  C     1.53273653  1  114.9629516  1    0.0000000  0     2     1     0   0.0000
  C     1.54190027  1  115.5935277  1  -48.7273724  1     3     2     1   0.0000
  C     1.54639493  1  110.0222005  1    1.5239512  1     4     3     2   0.0000
  C     1.53382612  1  111.5899931  1   51.2799183  1     5     4     3   0.0000
  C     3.71362093  1   84.6718523  1  103.9155419  1     3     2     4   0.0000
  C     1.54825934  1   68.5221824  1  132.3923257  1     7     3     2   0.0000
  C     1.53026394  1  115.1535406  1  106.1216259  1     8     7     3   0.0000
  C     1.54565261  1  112.6065510  1  -50.5623965  1     9     8     7   0.0000
  C     1.53928727  1  106.7045772  1   60.2306817  1    10     9     8   0.0000
  C     1.53134848  1  112.9361818  1  -59.8003794  1    11    10     9   0.0000
  C     1.55784964  1   69.0488496  1 -121.0640499  1     7     3     8   0.0000
  C     1.53828894  1  119.7913443  1  -73.0092260  1    13     7     3   0.0000
  C     1.55360701  1  114.4728692  1  123.8841458  1     4     3     5   0.0000
  C     1.53727810  1  116.8824945  1   36.4792900  1    15     4     3   0.0000
  H     1.10817115  1  109.4495380  1  122.9997854  1     2     1     3   0.0000
  H     1.11535607  1  107.9859859  1   18.5699736  1     3     2     7   0.0000
  H     1.10479369  1  110.2668372  1  122.3293271  1     5     4     6   0.0000
  H     1.11422287  1  108.2436552  1   61.2742982  1     6     5     4   0.0000
  H     1.11569929  1  108.9326081  1 -121.6007151  1     8     7     9   0.0000
  H     1.10531229  1  109.5270116  1 -123.0139313  1     9     8    10   0.0000
  H     1.10632584  1  110.0276715  1 -122.6163459  1    11    10    12   0.0000
  H     1.10558465  1  109.3696767  1  173.2909232  1    12    11    10   0.0000
  H     1.10880039  1  106.9520686  1 -121.9873520  1    13     7    14   0.0000
  H     1.10967091  1  109.4617402  1 -112.8403971  1    13     7    25   0.0000
  H     1.11112734  1  106.2947340  1 -150.7392156  1    14    13     7   0.0000
  H     1.10607599  1  109.6027980  1  112.1822312  1    14    13    27   0.0000
  H     1.10912121  1  108.0483517  1 -124.6158770  1    15     4    16   0.0000
  H     1.10651735  1  107.8177872  1 -112.6233357  1    15     4    29   0.0000
  H     1.10786759  1  107.8899748  1  113.7521163  1    16    15     4   0.0000
  H     1.10774418  1  109.3487769  1 -112.7980003  1    16    15    31   0.0000
  H     1.12339352  1  105.4368766  1  154.7941123  1     1     2     3   0.0000
  H     1.10780984  1  108.2722946  1  114.8761751  1     2     1    17   0.0000
  H     1.10519722  1  108.7937506  1  114.3191948  1     3     2    18   0.0000
  H     1.11711962  1  107.5628828  1  118.9565250  1     4     3    15   0.0000
  H     1.10584385  1  109.2816884  1  115.8655590  1     5     4    19   0.0000
  H     1.10345039  1  109.9118991  1  115.3233748  1     6     5    20   0.0000
  H     1.11865865  1  172.1458913  1   69.4703641  1     7     3    13   0.0000
  H     1.10533262  1  108.9370298  1 -114.9602375  1     8     7    21   0.0000
  H     1.10700950  1  109.6340651  1 -115.6064758  1     9     8    22   0.0000
  H     1.12108680  1  107.1177723  1  113.7765345  1    10     9    11   0.0000
  H     1.10722449  1  108.6960513  1 -115.3754329  1    11    10    23   0.0000
  H     1.11821690  1  107.2591680  1  114.8414866  1    12    11    24   0.0000