PM7 Accuracy

(2.2)metacyclophane    370 [2.2]Metacyclophane

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    #  Species Formula
   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-TetrahydropyreneC16H14
   368 9,10-DimethylphenanthreneC16H14
   369 (2.2)MetaparacyclophaneC16H16
   370 [2.2]Metacyclophane C16H16
   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
   378 UndecylcyclohexaneC17H34
   379 HeptadecaneC17H36
   380 p-TerphenylC18H14


DHf: 40.7 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]Metacyclophane
 H=40.7 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.39592801  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.39815647  1  119.2774764  1    0.0000000  0     2     1     0
  C     1.39773360  1  119.6903454  1   15.0917613  1     3     2     1
  C     1.39596109  1  119.3291028  1  -15.1148451  1     4     3     2
  C     1.39431874  1  119.7545299  1   -4.8580778  1     1     2     3
  C     4.14170955  1   59.1008238  1  -74.3594292  1     6     1     2
  C     1.39583516  1   80.4455599  1   57.9181012  1     7     6     1
  C     1.39782594  1  119.2896224  1   80.2720907  1     8     7     6
  C     1.39788748  1  119.7435147  1  -15.1494035  1     9     8     7
  C     1.39582459  1  119.2895610  1   14.9927287  1    10     9     8
  C     1.39420659  1   82.1418822  1  122.0241038  1     7     6     8
  C     1.49928107  1  121.4132617  1 -172.3891012  1     8     7     9
  C     1.56571322  1  112.3961782  1   99.6372226  1    13     8     7
  C     2.52337243  1   30.5268168  1  172.4618153  1     5     4     3
  C     1.56595561  1  114.3288192  1  -92.3712626  1    15     5     4
  H     1.08719451  1  120.0110214  1  174.1482540  1     3     2     4
  H     1.08625005  1  120.1581975  1   10.6254972  1     5     4    15
  H     1.08800592  1  119.8237358  1 -107.6239594  1     6     1     7
  H     1.08727045  1  119.9535866  1 -174.0950966  1     9     8    10
  H     1.08625021  1  120.2778524  1  177.0269831  1    11    10     9
  H     1.08806262  1  119.7870107  1  107.6720964  1    12     7     6
  H     1.10717162  1  110.6752732  1 -121.8381500  1    13     8    14
  H     1.10765394  1  110.3254739  1 -116.3688071  1    13     8    23
  H     1.10715599  1  108.7212213  1 -123.0795370  1    14    13     8
  H     1.10765308  1  108.9374695  1 -114.5386288  1    14    13    25
  H     1.10743003  1  129.5482658  1  146.6119653  1    15     5    16
  H     2.42052966  1   89.8097744  1   -0.3395707  1    18     5     4
  H     1.10713047  1  108.7424993  1  -92.8472751  1    16    15     5
  H     1.10764476  1  108.9150512  1 -114.5404834  1    16    15    29
  H     1.08628448  1  120.2461238  1 -178.2745643  1     1     2     6
  H     1.08620524  1  105.9511014  1  119.0420155  1     7     6    12