Accuracy

(2.2)metacyclophane    368 [2.2]Metacyclophane

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    #  Species Formula
   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)MetaparacyclophaneC16H16
   368 [2.2]Metacyclophane C16H16
   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
   378 p-TerphenylC18H14


ΔHf: 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