PM7 Accuracy

n-undecylcyclopentane    376 n-Undecylcyclopentane

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    #  Species Formula
   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 DecylcyclohexaneC16H32
   376 n-Undecylcyclopentane C16H32
   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-TridecylcyclopentaneC18H36


DHf: -74.7 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-Undecylcyclopentane
 H=-74.7 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.54177804  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.54009425  1  107.2238748  1    0.0000000  0     2     1     0
  C     1.54336863  1  106.4123265  1   12.0692986  1     3     2     1
  C     1.53735169  1  106.6653094  1    7.2167005  1     1     2     3
  C     1.53265955  1  112.8339530  1 -148.1957187  1     4     3     2
  C     1.53393986  1  111.2573400  1  -69.7744260  1     6     4     3
  C     1.53392939  1  110.6610523  1  179.3383783  1     7     6     4
  C     1.53406993  1  110.6413181  1 -179.6935684  1     8     7     6
  C     1.53388354  1  110.6819155  1  179.8528035  1     9     8     7
  C     1.53402463  1  110.7042122  1 -179.4662013  1    10     9     8
  C     1.53403300  1  110.6742510  1  179.9037357  1    11    10     9
  C     1.53405646  1  110.6954406  1 -179.8767512  1    12    11    10
  C     1.53386455  1  110.6837397  1  179.8111934  1    13    12    11
  C     1.53469497  1  110.7777683  1  179.9638656  1    14    13    12
  C     1.52879355  1  110.8774087  1  179.8862132  1    15    14    13
  H     1.10063532  1  111.4182666  1  128.8829932  1     1     2     3
  H     1.10252118  1  110.5563630  1 -113.1583669  1     1     2     3
  H     1.10146820  1  111.0015125  1 -121.1416840  1     2     1     3
  H     1.10170252  1  110.7105701  1  121.1688740  1     2     1     3
  H     1.10275301  1  110.5462954  1 -108.2114801  1     3     2     1
  H     1.10002283  1  111.6461169  1  133.6612757  1     3     2     1
  H     1.11354775  1  109.1190131  1   90.1427759  1     4     3     2
  H     1.09957578  1  111.9547114  1 -145.3297410  1     5     1     2
  H     1.10278923  1  110.5285111  1   96.1085011  1     5     1     2
  H     1.10658440  1  109.5933657  1  168.6276393  1     6     4     3
  H     1.10594894  1  110.2049380  1   52.6302933  1     6     4     3
  H     1.10575176  1  110.0495292  1  -58.7572134  1     7     6     4
  H     1.10599893  1  109.9723470  1   57.5674437  1     7     6     4
  H     1.10575663  1  110.0346596  1   58.4920958  1     8     7     6
  H     1.10585393  1  110.0190899  1  -57.9029200  1     8     7     6
  H     1.10576967  1  110.0438150  1  -58.3115817  1     9     8     7
  H     1.10592790  1  109.9942996  1   58.0523418  1     9     8     7
  H     1.10583871  1  110.0203900  1   58.7218809  1    10     9     8
  H     1.10585895  1  110.0321615  1  -57.6344498  1    10     9     8
  H     1.10580402  1  110.0331676  1  -58.2761508  1    11    10     9
  H     1.10585271  1  110.0153380  1   58.1027086  1    11    10     9
  H     1.10584555  1  110.0286612  1   58.3138067  1    12    11    10
  H     1.10585226  1  110.0302370  1  -58.0583753  1    12    11    10
  H     1.10580948  1  110.0184403  1  -58.3687933  1    13    12    11
  H     1.10582047  1  110.0133597  1   57.9963127  1    13    12    11
  H     1.10573215  1  110.0730088  1   58.1434035  1    14    13    12
  H     1.10573012  1  110.0756177  1  -58.2111626  1    14    13    12
  H     1.10625085  1  109.9847560  1  -58.2540060  1    15    14    13
  H     1.10624973  1  109.9803302  1   58.0266492  1    15    14    13
  H     1.09565791  1  111.4266999  1   60.0153876  1    16    15    14
  H     1.09564415  1  111.4360805  1  -60.0737521  1    16    15    14
  H     1.09551838  1  111.2457093  1  179.9678159  1    16    15    14