Accuracy

(2.2)paracyclophane    369 [2.2]Paracyclophane

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    #  Species Formula
   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)MetaparacyclophaneC16H16
   368 [2.2]MetacyclophaneC16H16
   369 [2.2]Paracyclophane C16H16
   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
   378 p-TerphenylC18H14
   379 2,5-Diphenyl-1,5-hexadieneC18H18


ΔHf: 58.5 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
[2.2]Paracyclophane
 H=58.48 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.39908574 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.39270939 +1  119.5924371 +1    0.0000000 +0     2     1     0
  C     1.39912399 +1  119.6125557 +1   -0.0857451 +1     3     2     1
  C     1.39903980 +1  118.8280895 +1  -15.9110946 +1     4     3     2
  C     1.39263701 +1  119.6097731 +1   15.9375223 +1     5     4     3
  C     2.65357884 +1   96.8913191 +1  -86.0379098 +1     1     2     3
  C     1.39903258 +1   97.0338185 +1    0.1440045 +1     7     1     2
  C     1.39267952 +1  119.6137550 +1   85.9699323 +1     8     7     1
  C     1.39895618 +1  119.6085792 +1   -0.0006130 +1     9     8     7
  C     1.39900517 +1  118.8286589 +1   15.9467060 +1    10     9     8
  C     1.39252125 +1  119.6131514 +1  -15.9449494 +1    11    10     9
  C     1.49854452 +1   68.7979991 +1 -119.8266647 +1     7     1     8
  C     1.49858402 +1  120.2989533 +1  -69.4239855 +1     1     2     7
  C     1.49863627 +1  120.2939819 +1  171.4376780 +1     4     3     5
  C     1.49854895 +1  120.2905126 +1 -171.4234353 +1    10     9    11
  H     1.08645253 +1  120.1421637 +1  174.5599832 +1     2     1     3
  H     1.08647645 +1  120.0297201 +1  174.6484790 +1     3     2     4
  H     1.08647224 +1  120.1384233 +1  174.6186596 +1     5     4     6
  H     1.08646916 +1  120.0438197 +1  174.6037773 +1     6     5     4
  H     1.08647520 +1  120.1376777 +1 -174.5841881 +1     8     7     9
  H     1.08647323 +1  120.0296975 +1 -174.6252704 +1     9     8    10
  H     1.08646962 +1  120.1363513 +1 -174.6242436 +1    11    10    12
  H     1.08646772 +1  120.0440260 +1 -174.6272200 +1    12    11    10
  H     1.10632507 +1  110.9139621 +1 -121.5621103 +1    13     7     1
  H     1.10633546 +1  110.9166007 +1 -117.1702077 +1    13     7    25
  H     1.10631452 +1  110.9056572 +1 -153.2024731 +1    14     1     2
  H     1.10628131 +1  110.9193860 +1  117.1771925 +1    14     1    27
  H     1.10631478 +1  110.9075653 +1  152.8997108 +1    15     4     3
  H     1.10625603 +1  110.9251340 +1 -117.1971242 +1    15     4    29
  H     1.10632197 +1  110.9093367 +1 -153.1393296 +1    16    10     9
  H     1.10628800 +1  110.9273939 +1  117.1941319 +1    16    10    31