PM7 Accuracy

undecane    319 Undecane

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    #  Species Formula
   309 1-DeceneC10H20
   310 Butyl cyclohexaneC10H20
   311 Pentyl cyclopentaneC10H20
   312 2,2,5,5-TetramethylhexaneC10H22
   313 3,3,4,4-TetramethylhexaneC10H22
   314 n-DecaneC10H22
   315 PentamethylbenzeneC11H16
   316 1,1,4-TrimethylcycloheptaneC11H22
   317 Hexyl cyclopentaneC11H22
   318 Pentyl cyclohexaneC11H22
   319 Undecane C11H24
   320 AcenaphthyleneC12H8
   321 BiphenyleneC12H8
   322 AcenaphtheneC12H10
   323 BiphenylC12H10
   324 Biphenyl, for torsion (Torsion angle) (Geo)C12H10
   325 HexamethylbenzeneC12H18
   326 HexylcyclohexaneC12H24
   327 n-DuodecaneC12H26
   328 Tri-isobutylboraneH27BC12
   329 Tri-s-butylboraneH27BC12


DHf: -64.6 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
Undecane
 H=-64.60 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.52902593  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.53437430  1  110.9516541  1    0.0000000  0     2     1     0
  C     1.53367630  1  110.7521308  1  179.8673625  1     3     2     1
  C     1.53390147  1  110.7376221  1  179.9010994  1     4     3     2
  C     1.53383628  1  110.6697807  1  179.8468058  1     5     4     3
  C     1.53391225  1  110.7145936  1  179.8910805  1     6     5     4
  C     1.53380885  1  110.6797699  1  179.8650960  1     7     6     5
  C     1.53374960  1  110.7238987  1  179.9235443  1     8     7     6
  C     1.53449701  1  110.7701103  1  179.8900864  1     9     8     7
  C     1.52851055  1  110.9047421  1  179.9645101  1    10     9     8
  H     1.09560273  1  111.4517554  1  -59.9734021  1     1     2     3
  H     1.09559938  1  111.4412692  1  120.1237690  1     1     2    12
  H     1.09552144  1  111.2109479  1  119.9307092  1     1     2    13
  H     1.10636144  1  109.9175564  1  122.0054098  1     2     1     3
  H     1.10641251  1  109.9090575  1  116.0799089  1     2     1    15
  H     1.10584387  1  109.9220148  1  121.9992097  1     3     2     4
  H     1.10593434  1  109.9298945  1  116.0735154  1     3     2    17
  H     1.10598618  1  109.9838773  1 -121.9179602  1     4     3     5
  H     1.10603855  1  109.9842429  1 -116.2143464  1     4     3    19
  H     1.10595625  1  109.9785273  1  121.9270543  1     5     4     6
  H     1.10603156  1  109.9886069  1  116.2148572  1     5     4    21
  H     1.10598365  1  109.9883939  1  121.9360356  1     6     5     7
  H     1.10606311  1  109.9804859  1  116.2244267  1     6     5    23
  H     1.10595603  1  109.9978677  1  121.9182628  1     7     6     8
  H     1.10605077  1  110.0064944  1  116.2355124  1     7     6    25
  H     1.10595890  1  109.9872245  1  121.9414389  1     8     7     9
  H     1.10604290  1  109.9789346  1  116.2117024  1     8     7    27
  H     1.10584153  1  110.0449797  1  121.9211021  1     9     8    10
  H     1.10592377  1  110.0535009  1  116.2226111  1     9     8    29
  H     1.10633404  1  109.9468473  1  121.9774969  1    10     9    11
  H     1.10638853  1  109.9434260  1  116.1356154  1    10     9    31
  H     1.09563573  1  111.4366694  1  -60.1736240  1    11    10     9
  H     1.09565736  1  111.4451355  1  120.1193415  1    11    10    33
  H     1.09558785  1  111.2205391  1  119.9400559  1    11    10    34