PM7 Accuracy

1,8-Paracyclophane    406 1,8-Paracyclophane

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    #  Species Formula
   396 9,10-Dihydro-9,10[1',2']benzanthraceneC20H14
   397 3,9-Dimethylbenz[a]anthraceneC20H16
   398 5,6-Dimethyl chryseneC20H16
   399 9,10-Dimethyl-1,2-benzanthraceneC20H16
   400 1,3,5-Tri-tert-butyl pentaleneC20H30
   401 HexacyclopropylethaneC20H30
   402 Tetra-tert-butyltetrahedraneC20H36
   403 Meso-3,4-dicyclohexyl-2,5-dimethylhexaneC20H38
   404 TetradecylcyclohexaneC20H40
   405 EicosaneC20H42
   406 1,8-Paracyclophane C21H26
   407 HexadecylcyclopentaneC21H42
   408 PentadecylcyclohexaneC21H42
   409 Tri-n-heptylboraneH45BC21
   410 1,1'-Diphenyl-1,1'-bicyclopentylC22H26
   411 DL-3,4-di-1-cyclohexen-1-yl-2,2,5,5-tetramethyl hexaneC22H38
   412 Meso-3,4-di-1-cyclohexen-1-yl-2,2,5,5-tetramethyl hexaneC22H38
   413 n-HexadecylcyclohexaneC22H44
   414 p-QuaterphenylC24H18
   415 1,1'-Diphenyl-1,1'-bicyclohexylC24H30
   416 6,6'-ParacyclophaneC24H32


DHf: 6.9 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
1,8-Paracyclophane
 H=6.9 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.39019842  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.39735777  1  120.0839503  1    0.0000000  0     1     2     0
  C     1.39741371  1  120.0854756  1    0.6976503  1     2     1     3
  C     1.39693809  1  119.4494793  1    5.5471910  1     4     2     1
  C     1.49742935  1  119.7534607  1 -177.7096933  1     4     2     5
  C     1.39224248  1  120.2586341  1   -6.2163250  1     5     4     2
  C     1.50642476  1  119.2191869  1  165.7264212  1     3     1     2
  C     3.76990539  1   94.0004694  1  -90.7059129  1     8     3     1
  C     1.39020791  1   20.0066905  1 -104.6173957  1     9     8     3
  C     1.39733877  1  119.8716068  1  -17.1064858  1    10     9     8
  C     1.39808562  1  100.7077605  1 -165.1811797  1     9     8    10
  C     1.39632943  1  119.5921091  1   13.6175040  1    12     9     8
  C     1.49690354  1  120.1476116  1 -175.4382326  1    12     9    13
  C     1.39207295  1  120.0460049  1   -7.5172897  1    13    12     9
  C     1.54035254  1  111.9109600  1  122.8950882  1     6     4     2
  C     1.53544572  1  113.9129872  1  -47.1490124  1    16     6     4
  C     1.53400687  1  112.8739315  1  -67.0761775  1    17    16     6
  C     1.53757167  1  111.1650886  1 -171.2612926  1    18    17    16
  C     1.53447663  1  111.8910176  1  -79.4971430  1    19    18    17
  C     1.53612829  1  111.3058233  1  157.4750350  1    20    19    18
  H     1.08811958  1  119.9117902  1  177.0392445  1     1     2     3
  H     1.08764338  1  119.7261425  1 -177.9468072  1     2     1     4
  H     1.08757509  1  119.8516651  1 -177.8110642  1     5     4     7
  H     1.10879192  1  110.7440897  1 -122.0325344  1     6     4    16
  H     1.10944902  1  110.0363270  1 -116.0281700  1     6     4    25
  H     1.08721559  1  119.9014322  1 -177.2862616  1     7     5     4
  H     1.10639813  1  112.2876655  1 -102.9682629  1     8     3     9
  H     1.10685033  1  111.8053906  1 -118.0337773  1     8     3    28
  H     1.08755110  1  138.5313043  1 -168.4584817  1     9     8    12
  H     1.08759927  1  120.0485884  1  176.7749058  1    10     9    11
  H     1.08734014  1  120.1363742  1 -177.3313392  1    13    12    15
  H     1.10803152  1  110.7775008  1  -58.0344086  1    14    12     9
  H     1.10768960  1  111.0798047  1 -116.7071295  1    14    12    33
  H     1.08720812  1  119.9284038  1 -177.4032730  1    15    13    12
  H     1.10626156  1  109.1098453  1 -122.9842135  1    16     6    17
  H     1.10745759  1  109.2451081  1 -115.2228103  1    16     6    36
  H     1.10686428  1  108.9937457  1 -122.1718523  1    17    16    18
  H     1.10861687  1  109.9488667  1 -115.1447947  1    17    16    38
  H     1.10595242  1  109.9138548  1 -122.2594288  1    18    17    19
  H     1.10527739  1  109.8736353  1 -116.1890748  1    18    17    40
  H     1.10560061  1  109.6995969  1 -121.8160641  1    19    18    20
  H     1.10587222  1  109.6509412  1 -115.5149217  1    19    18    42
  H     1.10913718  1  109.9135245  1 -121.5917347  1    20    19    21
  H     1.10455113  1  110.2977441  1 -115.4867048  1    20    19    44
  H     1.10517957  1  110.0446645  1   51.7417709  1    21    20    19
  H     1.10642151  1  109.3143777  1 -116.2868362  1    21    20    46