PM7 Accuracy

(2.2)paracyclophane    371 [2.2]Paracyclophane

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    #  Species Formula
   361 6-(1,1-dimethylethyl)-2,3-dihydro-1,1-dimethyl-1H-IndeneC15H22
   362 n-NonylcyclohexaneC15H30
   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]Paracyclophane C16H16
   372 1,2,3,6,7,8-HexahydropyreneC16H18
   373 Tricyclo[8.2.2.2]-hexadecaneC16H28
   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


DHf: 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