Accuracy

(2.2)metaparacyclophane    367 (2.2)Metaparacyclophane

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    #  Species Formula
   357 3-MethyladamantaneC15H22
   358 4-MethyldiadamantaneC15H22
   359 6-(1,1-dimethylethyl)-2,3-dihydro-1,1-dimethyl-1H-IndeneC15H22
   360 n-NonylcyclohexaneC15H30
   361 PentadecaneC15H32
   362 FluorantheneC16H10
   363 PyreneC16H10
   364 2,7-DimethylphenanthreneC16H14
   365 4,5,9,10-TetrahydropyreneC16H14
   366 9,10-DimethylphenanthreneC16H14
   367 (2.2)Metaparacyclophane C16H16
   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 UndecylcyclohexaneC17H34
   377 HeptadecaneC17H36


ΔHf: 52.2 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
(2.2)Metaparacyclophane
 H=52.18 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.39606037 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.39853041 +1  119.1038575 +1    0.0000000 +0     2     1     0
  C     1.39803306 +1  120.4640210 +1   11.5367875 +1     3     2     1
  C     1.39614904 +1  119.1733921 +1  -11.4169995 +1     4     3     2
  C     1.39415822 +1  119.8295296 +1   -3.9137225 +1     1     2     3
  C     3.86155685 +1   61.9149908 +1  -62.0667131 +1     6     1     2
  C     1.40045172 +1  102.0655071 +1   36.7846432 +1     7     6     1
  C     1.39882580 +1  119.1066774 +1  103.6583905 +1     8     7     6
  C     1.39326360 +1  119.0616526 +1  -18.9120658 +1     9     8     7
  C     1.39873655 +1  119.0403856 +1   -0.0634299 +1    10     9     8
  C     1.39042139 +1   79.5159580 +1  117.7745534 +1     7     6     8
  C     1.49615744 +1  119.4550086 +1 -167.8595489 +1     8     7     9
  C     1.50446827 +1  121.1251054 +1  174.7899034 +1     2     1     3
  C     2.52370035 +1   30.7704178 +1  174.7107993 +1     5     4     3
  C     1.56206119 +1  108.1197816 +1 -101.8624710 +1    15     5     4
  H     1.08573103 +1  120.3856600 +1 -173.8163982 +1    10     9    11
  H     1.08840553 +1  119.6264241 +1  174.4318165 +1     3     2     4
  H     1.08632721 +1  120.0412147 +1    7.8140324 +1     5     4    15
  H     1.08820366 +1  119.7377048 +1 -119.4473560 +1     6     1     7
  H     1.08571743 +1  120.2556915 +1 -173.8611632 +1     9     8    10
  H     1.08644615 +1  120.2498398 +1   75.3507891 +1    12     7     6
  H     1.10650508 +1  111.4164475 +1  -26.2857066 +1    13     8     7
  H     1.10525080 +1  112.1536842 +1 -118.6690590 +1    13     8    23
  H     1.10608905 +1  111.0664231 +1   33.5499675 +1    14     2     1
  H     1.10792230 +1  110.2094289 +1  116.8404136 +1    14     2    25
  H     1.10748109 +1  133.8107325 +1  141.9658991 +1    15     5    16
  H     2.49302625 +1   88.6977245 +1    6.4249338 +1    19     5     4
  H     1.10527416 +1  109.5328705 +1 -171.5956615 +1    16    15     5
  H     1.10651669 +1  109.4834290 +1  115.8651967 +1    16    15    29
  H     1.08630823 +1  120.1289160 +1 -178.6750459 +1     1     2     6
  H     1.08646101 +1   82.9031265 +1  122.6505332 +1     7     6    12