PM7 Accuracy

n-dodecylcyclopentane    377 n-Dodecylcyclopentane

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    #  Species Formula
   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 DecylcyclohexaneC16H32
   376 n-UndecylcyclopentaneC16H32
   377 n-Dodecylcyclopentane C17H34
   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-TridecylcyclopentaneC18H36
   387 1,1,2,2-Tetra-t-butylethaneC18H38


DHf: -79.6 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.
  
 INT PM7
n-Dodecylcyclopentane
 H=-79.63 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.54169449  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.53993295  1  107.2180964  1    0.0000000  0     2     1     0
  C     1.54353166  1  106.4104527  1   12.0495764  1     3     2     1
  C     1.53746230  1  106.6652801  1    7.2629382  1     1     2     3
  C     1.53286704  1  112.8247473  1 -148.1408624  1     4     3     2
  C     1.53407882  1  111.2657252  1  -69.6566593  1     6     4     3
  C     1.53410004  1  110.6571050  1  179.4377066  1     7     6     4
  C     1.53422015  1  110.6466819  1 -179.4543623  1     8     7     6
  C     1.53405068  1  110.6797148  1  179.8608890  1     9     8     7
  C     1.53416765  1  110.7096680  1 -179.6375457  1    10     9     8
  C     1.53413737  1  110.6766384  1  179.6966673  1    11    10     9
  C     1.53423387  1  110.6974755  1 -179.9530045  1    12    11    10
  C     1.53416119  1  110.6748576  1  179.6275822  1    13    12    11
  C     1.53406208  1  110.7030508  1 -179.9695306  1    14    13    12
  C     1.53483656  1  110.7650743  1  179.7759540  1    15    14    13
  H     1.10066527  1  111.4173310  1  128.8962635  1     1     2     3
  H     1.10257551  1  110.5540134  1 -113.1417854  1     1     2     3
  H     1.10149216  1  110.9996159  1 -121.1385305  1     2     1     3
  H     1.10172037  1  110.7117218  1  121.1672598  1     2     1     3
  H     1.10278498  1  110.5441121  1 -108.2442308  1     3     2     1
  H     1.10005549  1  111.6394391  1  133.6320908  1     3     2     1
  H     1.11356632  1  109.1144777  1   90.2014231  1     4     3     2
  H     1.09960373  1  111.9527461  1 -145.3201538  1     5     1     2
  H     1.10285749  1  110.5321930  1   96.1234469  1     5     1     2
  H     1.10656287  1  109.5908008  1  168.7504452  1     6     4     3
  H     1.10593850  1  110.2019321  1   52.7372202  1     6     4     3
  H     1.10574180  1  110.0578410  1  -58.6473876  1     7     6     4
  H     1.10600036  1  109.9649286  1   57.6996183  1     7     6     4
  H     1.10574788  1  110.0284059  1   58.7397183  1     8     7     6
  H     1.10585791  1  110.0212110  1  -57.6743032  1     8     7     6
  H     1.10578676  1  110.0422867  1  -58.2992720  1     9     8     7
  H     1.10591949  1  109.9981351  1   58.0865288  1     9     8     7
  H     1.10582235  1  110.0242136  1   58.5512079  1    10     9     8
  H     1.10587341  1  110.0215600  1  -57.8223664  1    10     9     8
  H     1.10581463  1  110.0297669  1  -58.4767241  1    11    10     9
  H     1.10585636  1  110.0146896  1   57.9114606  1    11    10     9
  H     1.10583295  1  110.0250496  1   58.2404213  1    12    11    10
  H     1.10586940  1  110.0155101  1  -58.1484341  1    12    11    10
  H     1.10581883  1  110.0358024  1  -58.5587791  1    13    12    11
  H     1.10584499  1  110.0265415  1   57.8424093  1    13    12    11
  H     1.10583227  1  110.0134494  1   58.2195747  1    14    13    12
  H     1.10584143  1  110.0132260  1  -58.1570885  1    14    13    12
  H     1.10570161  1  110.0788743  1  -58.4053168  1    15    14    13
  H     1.10572251  1  110.0714493  1   57.9758801  1    15    14    13
  H     1.10628497  1  109.9763533  1   58.1621239  1    16    15    14
  H     1.10627378  1  109.9865081  1  -58.1292829  1    16    15    14
  C     1.52884677  1  110.8854343  1 -179.9876595  1    16    15    14
  H     1.09564556  1  111.4286712  1   60.0009344  1    48    16    15
  H     1.09565171  1  111.4335464  1  -60.0993994  1    48    16    15
  H     1.09548775  1  111.2382558  1  179.9471452  1    48    16    15