PM7 Accuracy

undecylcyclohexane    378 Undecylcyclohexane

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    #  Species Formula
   368 9,10-DimethylphenanthreneC16H14
   369 (2.2)MetaparacyclophaneC16H16
   370 [2.2]MetacyclophaneC16H16
   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 Undecylcyclohexane C17H34
   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-TridecylcyclopentaneC18H36
   387 1,1,2,2-Tetra-t-butylethaneC18H38
   388 OctadecaneC18H38


DHf: -85.4 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
Undecylcyclohexane
 H=-85.43 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.53436013  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.53400474  1  110.6889552  1    0.0000000  0     2     1     0
  C     1.53902551  1  110.6000952  1  -57.5948265  1     3     2     1
  C     1.54054013  1  109.6661300  1   57.9290248  1     4     3     2
  C     1.53932311  1  110.9437295  1  121.3562892  1     4     3     5
  C     1.53372541  1  111.6237025  1   73.1324178  1     6     4     3
  C     1.53431579  1  110.5974233  1  179.4938687  1     7     6     4
  C     1.53398830  1  110.6103892  1 -179.7410854  1     8     7     6
  C     1.53393167  1  110.6932490  1  179.9763454  1     9     8     7
  C     1.53399055  1  110.6772247  1 -179.8812215  1    10     9     8
  C     1.53407729  1  110.6806386  1  179.8708173  1    11    10     9
  C     1.53401990  1  110.6715527  1 -179.9918175  1    12    11    10
  C     1.53392531  1  110.6856661  1  179.8442965  1    13    12    11
  C     1.53463029  1  110.7581283  1  179.9491711  1    14    13    12
  C     1.52891014  1  110.8720936  1  179.9109394  1    15    14    13
  H     1.10469020  1  110.1174727  1  178.7127913  1     1     2     3
  H     1.10568644  1  109.9022261  1  116.6756627  1     1     2    17
  H     1.10587250  1  109.8573206  1 -121.6051780  1     2     1     3
  H     1.10485300  1  110.0975757  1 -116.4786287  1     2     1    19
  H     1.10466576  1  109.9600293  1 -121.9689228  1     3     2     4
  H     1.10535916  1  109.9253027  1 -116.4018973  1     3     2    21
  H     1.11528538  1  108.8077591  1  119.9737708  1     4     3     6
  H     1.10455805  1  110.1252045  1 -179.7925918  1     5     4     3
  H     1.10497200  1  110.0146206  1 -116.8099520  1     5     4    24
  H     1.10517002  1  110.0292936  1 -122.6560511  1     6     4     7
  H     1.10655281  1  109.6478481  1 -115.9021872  1     6     4    26
  H     1.10575845  1  110.2542271  1  121.7601794  1     7     6     8
  H     1.10585369  1  110.0034270  1  116.4444792  1     7     6    28
  H     1.10570133  1  110.0442942  1 -121.8096065  1     8     7     9
  H     1.10572062  1  110.0481145  1 -116.4068554  1     8     7    30
  H     1.10578467  1  110.0558439  1  121.8341095  1     9     8    10
  H     1.10583076  1  110.0259508  1  116.3675008  1     9     8    32
  H     1.10575180  1  110.0669500  1 -121.8359167  1    10     9    11
  H     1.10581711  1  110.0303395  1 -116.3682325  1    10     9    34
  H     1.10574796  1  110.0558170  1  121.8306128  1    11    10    12
  H     1.10582886  1  110.0309847  1  116.3789409  1    11    10    36
  H     1.10575411  1  110.0704118  1 -121.8243896  1    12    11    13
  H     1.10582594  1  110.0302089  1 -116.3835724  1    12    11    38
  H     1.10573962  1  110.0463286  1  121.8360506  1    13    12    14
  H     1.10580894  1  110.0259649  1  116.3664709  1    13    12    40
  H     1.10563919  1  110.1105400  1 -121.8323153  1    14    13    15
  H     1.10570121  1  110.0743363  1 -116.3648139  1    14    13    42
  H     1.10617928  1  110.0169250  1  121.8789138  1    15    14    16
  H     1.10624493  1  109.9968802  1  116.2791053  1    15    14    44
  H     1.09564028  1  111.4300149  1   60.0071599  1    16    15    14
  H     1.09563184  1  111.4140047  1 -120.0929122  1    16    15    46
  H     1.09541460  1  111.2633897  1 -119.9401016  1    16    15    47
  C     1.53432773  1  110.5218044  1  121.4767765  1     1     2    18
  H     1.10482335  1  110.0889340  1 -178.8225208  1    49     1     2
  H     1.10567248  1  109.9800708  1 -116.6078430  1    49     1    50