PM7 Accuracy

n-nonyl cyanide    565 n-Nonyl cyanide

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    #  Species Formula
   555 cis-3,7a-H-cis-5,8-H-3,5-DimethylpyrrolizidineC9H17N
   556 Decahydro trans-quinolineC9H17N
   557 2,2,6,6-Tetramethyl piperidineC9H19N
   558 2-Methyl-quinolineC10H9N
   559 4-Methyl-quinolineC10H9N
   560 6-Methyl-quinolineC10H9N
   561 8-Methyl-quinolineC10H9N
   562 2,4,6-Trimethyl-benzonitrileC10H11N
   563 2,4,6-Trimethylphenyl isocyanideC10H11N
   564 N,N-Diethyl anilineC10H15N
   565 n-Nonyl cyanide C10H19N
   566 2,6-Dimethyl quinolineC11H11N
   567 2,7-Dimethyl quinolineC11H11N
   568 1-Adamantyl cyanideC11H15N
   569 1-Adamantyl isocyanideC11H15N
   570 2-Methyl-6-t-butylanilineC11H17N
   571 n-UndecanenitrileC11H21N
   572 CarbazoleC12H9N
   573 2-BiphenylamineC12H11N
   574 BiphenylamineC12H11N
   575 2-n-Butyl-2-methylhexanenitrileC12H23N


DHf: -21.9 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
n-Nonyl cyanide
 H=-21.9 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.52882464  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.53464542  1  110.9196143  1    0.0000000  0     2     1     0
  C     1.53387702  1  110.7704466  1  179.8491311  1     3     2     1
  C     1.53405135  1  110.7284065  1  179.9577981  1     4     3     2
  C     1.53405537  1  110.6657902  1  179.8683679  1     5     4     3
  C     1.53432297  1  110.6476477  1  179.9974234  1     6     5     4
  C     1.53248954  1  110.4694168  1  179.8966136  1     7     6     5
  C     1.53865247  1  110.5013181  1  179.9997050  1     8     7     6
  C     1.44447659  1  110.5771632  1  179.9000279  1     9     8     7
  N     1.15669238  1  144.1055387  1 -179.9854667  1    10     8     9
  H     1.09560605  1  111.4639643  1  -59.9735999  1     1     2     3
  H     1.09559986  1  111.4530285  1  120.1562137  1     1     2    12
  H     1.09564207  1  111.2021144  1  119.9100865  1     1     2    13
  H     1.10634748  1  109.9375395  1  121.9835082  1     2     1     3
  H     1.10641835  1  109.9255782  1  116.1366202  1     2     1    15
  H     1.10576979  1  109.9308860  1  121.9855929  1     3     2     4
  H     1.10589869  1  109.9299912  1  116.1069127  1     3     2    17
  H     1.10602764  1  109.9864924  1  121.9347171  1     4     3     5
  H     1.10612113  1  109.9736970  1  116.2307244  1     4     3    19
  H     1.10590607  1  109.9520623  1  121.9338345  1     5     4     6
  H     1.10603445  1  109.9510747  1  116.2004971  1     5     4    21
  H     1.10631086  1  109.9312196  1  121.9596653  1     6     5     7
  H     1.10640839  1  109.9163004  1  116.1779609  1     6     5    23
  H     1.10644829  1  109.8408963  1  121.9615926  1     7     6     8
  H     1.10656654  1  109.8423977  1  116.1356403  1     7     6    25
  H     1.10756636  1  110.1583058  1  121.9045712  1     8     7     9
  H     1.10762469  1  110.1554770  1  116.2789612  1     8     7    27
  H     1.11639964  1  109.9646527  1  122.2583500  1     9     8    10
  H     1.11629229  1  110.0247514  1  115.5181832  1     9     8    29