PM7 Accuracy

4,5,9,10-tetrahydropyrene    367 4,5,9,10-Tetrahydropyrene

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    #  Species Formula
   357 4-MethylphenanthreneC15H12
   358 1-MethyldiadamantaneC15H22
   359 3-MethyladamantaneC15H22
   360 4-MethyldiadamantaneC15H22
   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-Tetrahydropyrene C16H14
   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]-hexadecaneC16H28
   374 1-HexadeceneC16H32
   375 DecylcyclohexaneC16H32
   376 n-UndecylcyclopentaneC16H32
   377 n-DodecylcyclopentaneC17H34


DHf: 21.6 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
4,5,9,10-Tetrahydropyrene
 H=21.6 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.40065153  1    0.0000000  0    0.0000000  0     1     0     0
  C     2.85913752  1  164.6019703  1    0.0000000  0     1     2     0
  C     1.53702699  1   60.7914352  1 -117.9780541  1     3     1     2
  C     1.40074239  1  120.1460160  1  -90.8658262  1     1     2     3
  C     1.39414085  1  119.7580403  1   90.7717762  1     2     1     3
  C     1.49753671  1  119.1122981  1 -178.5398390  1     2     1     6
  C     1.53712822  1  111.4054474  1  -34.3182781  1     7     2     1
  C     1.49740375  1  111.4122068  1   49.6076930  1     8     7     2
  C     1.40072761  1  119.0861167  1  -34.5851138  1     9     8     7
  C     1.39327047  1  119.9341566  1    0.2001792  1     6     2     1
  C     1.39337968  1  120.4738801  1   -0.0761096  1    11     6     2
  C     1.40048620  1  120.1604387  1 -178.7139642  1    10     9     8
  C     1.39420046  1  119.7347814  1   -0.1649759  1    13    10     9
  C     1.39330377  1  119.9391335  1    0.2780588  1    14    13    10
  C     1.39351077  1  120.4888574  1   -0.1280676  1    15    14    13
  H     1.10769087  1  157.0000460  1  -70.8886844  1     3     1     4
  H     1.11272574  1   97.1854787  1  179.4972605  1     3     1    17
  H     1.11289265  1  109.6530347  1 -104.1803998  1     4     3     1
  H     1.10753869  1  111.3472536  1 -122.8404418  1     7     2     8
  H     1.10747626  1  109.7452588  1  123.8148051  1     8     7     9
  H     1.10745550  1  109.7446758  1 -115.8727642  1     4     3    19
  H     1.08680284  1  120.1173411  1  179.9818603  1     6     2    11
  H     1.08679592  1  120.1306650  1  179.9233791  1    14    13    15
  H     1.08836530  1  119.7552418  1  179.9804743  1    15    14    16
  H     1.08674649  1  119.9175045  1  179.8879306  1    16    15    14
  H     1.11289866  1  108.7013922  1 -116.2036476  1     7     2    20
  H     1.11299147  1  109.6170025  1  115.7864877  1     8     7    21
  H     1.08836460  1  119.7746412  1  179.9597260  1    11     6    12
  H     1.08676882  1  119.9326113  1  179.8693826  1    12    11     6