PM7 Accuracy

decylcyclohexane    375 Decylcyclohexane

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    #  Species Formula
   365 PyreneC16H10
   366 2,7-DimethylphenanthreneC16H14
   367 4,5,9,10-TetrahydropyreneC16H14
   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 Decylcyclohexane C16H32
   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


DHf: -80.5 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.
  
 PM7
Decylcyclohexane
 H=-80.51 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.53415862  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.53437055  1  110.6411659  1    0.0000000  0     2     1     0
  C     1.53423398  1  110.5420081  1  -56.8721342  1     3     2     1
  C     1.53408792  1  110.6673263  1   56.7523492  1     4     3     2
  C     1.53916893  1  110.5507786  1  -57.7721918  1     5     4     3
  C     1.53937716  1  110.9439311  1  179.5899761  1     6     5     4
  C     1.53380482  1  111.5859227  1   73.8118374  1     7     6     5
  C     1.53440549  1  110.5967343  1 -179.6576190  1     8     7     6
  C     1.53409474  1  110.6040894  1 -179.1392886  1     9     8     7
  C     1.53402321  1  110.6922122  1 -179.6847870  1    10     9     8
  C     1.53415095  1  110.6636012  1 -179.5699831  1    11    10     9
  C     1.53413253  1  110.6820806  1 -179.8506195  1    12    11    10
  C     1.53400112  1  110.6716741  1 -179.7159282  1    13    12    11
  C     1.53473035  1  110.7619046  1 -179.8768423  1    14    13    12
  C     1.52892805  1  110.8637942  1 -179.8484745  1    15    14    13
  H     1.10454433  1  109.9486866  1  179.6618473  1     1     2     3
  H     1.10592110  1  109.8867194  1 -121.5924871  1     2     1     3
  H     1.10461960  1  110.1675373  1 -122.0698631  1     3     2     4
  H     1.10487777  1  110.1148181  1  121.9363901  1     4     3     5
  H     1.10521990  1  109.9758068  1  121.6534329  1     5     4     6
  H     1.10522308  1  110.0413965  1 -122.6211365  1     7     6     8
  H     1.10652025  1  109.7005222  1 -115.9493661  1     7     6    22
  H     1.10576998  1  110.2885868  1  121.7383262  1     8     7     9
  H     1.10588116  1  109.9941078  1  116.4747602  1     8     7    24
  H     1.10569265  1  110.0523970  1 -121.7863922  1     9     8    10
  H     1.10573126  1  110.0705953  1 -116.4507106  1     9     8    26
  H     1.10579487  1  110.0773829  1  121.8039833  1    10     9    11
  H     1.10584793  1  110.0311895  1  116.4040073  1    10     9    28
  H     1.10574676  1  110.0795780  1 -121.8012569  1    11    10    12
  H     1.10581682  1  110.0542314  1 -116.4242573  1    11    10    30
  H     1.10575881  1  110.0825240  1  121.7980421  1    12    11    13
  H     1.10583760  1  110.0426064  1  116.4173993  1    12    11    32
  H     1.10574510  1  110.0632993  1 -121.8041351  1    13    12    14
  H     1.10581489  1  110.0373793  1 -116.4117015  1    13    12    34
  H     1.10564410  1  110.1212810  1  121.8073230  1    14    13    15
  H     1.10571214  1  110.0879840  1  116.3968647  1    14    13    36
  H     1.10620201  1  110.0358585  1 -121.8474734  1    15    14    16
  H     1.10626762  1  110.0109191  1 -116.3198600  1    15    14    38
  H     1.09566636  1  111.4240446  1  -59.9432616  1    16    15    14
  H     1.09565133  1  111.4191808  1  120.0886599  1    16    15    40
  H     1.09542542  1  111.2690982  1  119.9472195  1    16    15    41
  H     1.10502246  1  110.0568278  1  116.7232365  1     1     2    17
  H     1.10489383  1  110.0687154  1 -116.4741726  1     2     1    18
  H     1.10604124  1  109.8092916  1 -116.5219387  1     3     2    19
  H     1.10597878  1  109.8778243  1  116.4703488  1     4     3    20
  H     1.10476058  1  109.9594700  1  116.4677166  1     5     4    21
  H     1.11518048  1  108.9325425  1  120.0352004  1     6     5     7