PM7 Accuracy

n-tridecylcyclopentane    386 n-Tridecylcyclopentane

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    #  Species Formula
   376 n-UndecylcyclopentaneC16H32
   377 n-DodecylcyclopentaneC17H34
   378 UndecylcyclohexaneC17H34
   379 HeptadecaneC17H36
   380 p-TerphenylC18H14
   381 2,5-Diphenyl-1,5-hexadieneC18H18
   382 3,4,5,6-TetramethylphenanthreneC18H18
   383 [3.3]ParacyclophaneC18H20
   384 1,1'-(1,1,2,2-Tetramethyl-1,2-ethanediyl)bis-benzeneC18H22
   385 DodecylcyclohexaneC18H36
   386 n-Tridecylcyclopentane C18H36
   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-TetradecylcyclopentaneC19H38
   394 n-TridecylcyclohexaneC19H38
   395 NonadecaneC19H40
   396 9,10-Dihydro-9,10[1',2']benzanthraceneC20H14


DHf: -84.6 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
n-Tridecylcyclopentane
 H=-84.55 HR=NIST
  C     0.00802452  1  -0.02505986  1  -0.05023500  1
  C     1.52347655  1  -0.06859086  1   0.20639382  1
  C     1.99606611  1   1.39600460  1   0.30868423  1
  H   -12.47059116  1  12.37855982  1  -2.42825925  1
  C     0.79312728  1   2.28811319  1  -0.05060069  1
  C    -0.26131335  1   1.35591163  1  -0.68310695  1
  C    -1.69881281  1   1.82053311  1  -0.42738828  1
  C    -2.02009486  1   3.10238393  1  -1.20604348  1
  C    -3.46218137  1   3.55063789  1  -0.93610594  1
  C    -3.78002738  1   4.84013667  1  -1.70369582  1
  C    -5.22242666  1   5.28974966  1  -1.43930788  1
  C    -5.53064501  1   6.58601747  1  -2.19914996  1
  C    -6.97845553  1   7.02798265  1  -1.95265881  1
  C    -7.28173428  1   8.33213053  1  -2.70092445  1
  C    -8.73485075  1   8.76471901  1  -2.46795487  1
  C    -9.03451609  1  10.07632828  1  -3.20451954  1
  C   -10.49059703  1  10.50302952  1  -2.98054213  1
  C   -10.78944111  1  11.82306546  1  -3.70367387  1
  H    -0.54811301  1  -0.13620148  1   0.89564628  1
  H    -0.32204145  1  -0.84403925  1  -0.70517258  1
  H     1.75789881  1  -0.63207513  1   1.12230970  1
  H     2.04287841  1  -0.58652759  1  -0.61662637  1
  H     2.84095522  1   1.58086525  1  -0.37390326  1
  H     2.36304256  1   1.62299733  1   1.32200656  1
  H   -12.93871328  1  11.49103267  1  -3.88305421  1
  H   -12.46295738  1  13.18884631  1  -3.99830186  1
  H     0.39043823  1   2.77708581  1   0.85199287  1
  H     1.07755812  1   3.09696525  1  -0.73946202  1
  H    -0.08323564  1   1.29447049  1  -1.78055516  1
  H    -1.86007893  1   1.98403896  1   0.65456651  1
  H    -2.40433940  1   1.01923358  1  -0.71883685  1
  H    -1.31398790  1   3.90475783  1  -0.92215038  1
  H    -1.87066408  1   2.93607265  1  -2.28912465  1
  H    -3.61306075  1   3.70839407  1   0.14805989  1
  H    -4.16850741  1   2.75173199  1  -1.22820747  1
  H    -3.07481587  1   5.63950141  1  -1.40883430  1
  H    -3.62591544  1   4.68343072  1  -2.78768780  1
  H    -5.38119887  1   5.43923074  1  -0.35525797  1
  H    -5.92930221  1   4.49515805  1  -1.74250536  1
  H    -4.83197630  1   7.38391770  1  -1.88518834  1
  H    -5.35842270  1   6.44064370  1  -3.28192636  1
  H    -7.15421556  1   7.16329211  1  -0.86913661  1
  H    -7.67668444  1   6.23391061  1  -2.27660781  1
  H    -6.59110577  1   9.12915993  1  -2.36776221  1
  H    -7.09471197  1   8.20085548  1  -3.78281694  1
  H    -8.92522473  1   8.88641718  1  -1.38541803  1
  H    -9.42540813  1   7.97154231  1  -2.81027488  1
  H    -8.34864855  1  10.87094663  1  -2.85654966  1
  H    -8.83702502  1   9.95702856  1  -4.28609414  1
  H   -10.69241538  1  10.61168608  1  -1.89878717  1
  H   -11.17667369  1   9.71309744  1  -3.33826069  1
  H   -10.10993361  1  12.61639849  1  -3.33885997  1
  H   -10.57996212  1  11.71847279  1  -4.78483948  1
  C   -12.24419375  1  12.24286376  1  -3.49159405  1