PM7 Accuracy

n-tetradecylcyclopentane    393 n-Tetradecylcyclopentane

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    #  Species Formula
   383 [3.3]ParacyclophaneC18H20
   384 1,1'-(1,1,2,2-Tetramethyl-1,2-ethanediyl)bis-benzeneC18H22
   385 DodecylcyclohexaneC18H36
   386 n-TridecylcyclopentaneC18H36
   387 1,1,2,2-Tetra-t-butylethaneC18H38
   388 OctadecaneC18H38
   389 TriphenylboraneH15BC18
   390 TricyclohexylboraneH33BC18
   391 Tri-n-hexylboraneH39BC18
   392 2,6-Diphenyl-1,6-heptadieneC19H20
   393 n-Tetradecylcyclopentane C19H38
   394 n-TridecylcyclohexaneC19H38
   395 NonadecaneC19H40
   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


DHf: -89.5 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.
  
 INT PM7
n-Tetradecylcyclopentane
 H=-89.48 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.54162471  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.53986922  1  107.2366630  1    0.0000000  0     2     1     0
  C     1.54340965  1  106.4306044  1   12.0201011  1     3     2     1
  C     1.53740276  1  106.6948815  1    7.1157965  1     1     2     3
  C     1.53289612  1  112.7789563  1 -147.9454071  1     4     3     2
  C     1.53409314  1  111.2370528  1  -69.6742427  1     6     4     3
  C     1.53406403  1  110.6369992  1  179.5029900  1     7     6     4
  C     1.53422806  1  110.6228451  1 -179.5758166  1     8     7     6
  C     1.53401718  1  110.6588167  1  179.7901883  1     9     8     7
  C     1.53416769  1  110.6885565  1 -179.5498036  1    10     9     8
  C     1.53411386  1  110.6564530  1  179.7347258  1    11    10     9
  C     1.53416098  1  110.6822001  1 -179.9023674  1    12    11    10
  C     1.53411870  1  110.6545004  1  179.6213352  1    13    12    11
  C     1.53422298  1  110.6733948  1  179.9978854  1    14    13    12
  C     1.53414275  1  110.6542373  1  179.6788515  1    15    14    13
  H     1.10071754  1  111.4067792  1  128.7370328  1     1     2     3
  H     1.10256499  1  110.5590603  1 -113.3166453  1     1     2     3
  H     1.10153371  1  110.9990557  1 -121.1515044  1     2     1     3
  H     1.10178203  1  110.7046250  1  121.1701917  1     2     1     3
  H     1.10279005  1  110.5383105  1 -108.2634471  1     3     2     1
  H     1.10003588  1  111.6382320  1  133.6148024  1     3     2     1
  H     1.11342941  1  109.1671880  1   90.4157778  1     4     3     2
  H     1.09964621  1  111.9303153  1 -145.0655814  1     5     1     2
  H     1.10283291  1  110.5270834  1   96.4112545  1     5     1     2
  H     1.10652233  1  109.6101711  1  168.7449724  1     6     4     3
  H     1.10585580  1  110.2269023  1   52.7180735  1     6     4     3
  H     1.10567290  1  110.0814362  1  -58.5724730  1     7     6     4
  H     1.10596060  1  109.9859376  1   57.7899265  1     7     6     4
  H     1.10571237  1  110.0551151  1   58.6275891  1     8     7     6
  H     1.10578744  1  110.0407482  1  -57.7993764  1     8     7     6
  H     1.10570413  1  110.0678688  1  -58.3564787  1     9     8     7
  H     1.10588269  1  110.0126373  1   58.0433863  1     9     8     7
  H     1.10578660  1  110.0417903  1   58.6544456  1    10     9     8
  H     1.10580282  1  110.0456709  1  -57.7318653  1    10     9     8
  H     1.10573712  1  110.0537969  1  -58.4249344  1    11    10     9
  H     1.10581806  1  110.0285591  1   57.9765547  1    11    10     9
  H     1.10579682  1  110.0390587  1   58.2989120  1    12    11    10
  H     1.10580295  1  110.0337551  1  -58.0895929  1    12    11    10
  H     1.10575568  1  110.0498831  1  -58.5477694  1    13    12    11
  H     1.10581167  1  110.0345092  1   57.8537208  1    13    12    11
  H     1.10579657  1  110.0439449  1   58.2064772  1    14    13    12
  H     1.10579938  1  110.0400126  1  -58.1973090  1    14    13    12
  H     1.10575953  1  110.0579069  1  -58.5033905  1    15    14    13
  H     1.10580093  1  110.0457864  1   57.9103804  1    15    14    13
  H     1.10578950  1  110.0355652  1   58.1660827  1    16    15    14
  H     1.10578963  1  110.0329289  1  -58.2213519  1    16    15    14
  C     1.53403813  1  110.6803199  1  179.9647822  1    16    15    14
  H     1.10568524  1  110.0969319  1   57.9107923  1    48    16    15
  H     1.10570774  1  110.0913387  1  -58.4724095  1    48    16    15
  H     2.17722465  1   94.3512408  1  155.6833597  1    48    16    15
  C     1.10655407  1   41.4634491  1  127.1613256  1    51    48    16
  C     1.52879640  1  109.9944268  1  122.4311608  1    52    51    48
  H     1.10625727  1  105.8454421  1 -118.7920155  1    52    51    48
  H     1.09565912  1  111.4171414  1  -61.9804524  1    53    52    51
  H     1.09564614  1  111.4248628  1  177.9339382  1    53    52    51
  H     1.09543497  1  111.2536847  1   57.9695262  1    53    52    51