PM7 Accuracy

cyclopentanecarbonitrile    510 Cyclopentanecarbonitrile

(Previous)     (Back)     (Next)         Geometry predicted using PM7

   

    #  Species Formula
   500 CyclopentylamineC5H11N
   501 PiperidineC5H11N
   502 N-Methyl-n-butylamineC5H13N
   503 1-CyclopentenecarbonitrileC6H7N
   504 2-CyclopentenecarbonitrileC6H7N
   505 2-Methyl pyridineC6H7N
   506 3-Methyl pyridineC6H7N
   507 4-Methyl pyridineC6H7N
   508 AnilineC6H7N
   509 2,5-Dimethyl-1H-pyrroleC6H9N
   510 Cyclopentanecarbonitrile C6H9N
   511 2-MethylpiperidineC6H13N
   512 CyclohexamethylenimineC6H13N
   513 CyclohexanamineC6H13N
   514 Di-n-propylamineC6H15N
   515 DiiospropylamineC6H15N
   516 TriethylamineC6H15N
   517 Trimethylborane-TrimethylamineH18BC6N
   518 Phenyl cyanideC7H5N
   519 1-CyclohexenecarbonitrileC7H9N
   520 2,6-DimethylpyridineC7H9N


DHf: 11.7 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.
  
 PM7
Cyclopentanecarbonitrile
 H=11.7 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.54555623  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.53753107  1  105.3771426  1    0.0000000  0     2     1     0
  C     1.54198771  1  107.1817689  1  -19.1814804  1     3     2     1
  C     1.53778308  1  107.2277298  1    0.4328091  1     4     3     2
  C     1.44594081  1  111.5906850  1  151.5934708  1     1     2     3
  N     1.15643835  1  144.2702824  1  179.6204296  1     6     2     1
  H     1.12234320  1  109.4257625  1  121.7549799  1     1     2     6
  H     1.10493106  1  110.8156517  1 -119.7722203  1     2     1     3
  H     1.10089411  1  111.6482231  1 -118.2726749  1     2     1     9
  H     1.10228047  1  111.0213818  1 -121.6915338  1     3     2     4
  H     1.10328317  1  110.8320502  1 -117.5041997  1     3     2    11
  H     1.10233240  1  111.2303917  1 -121.5194385  1     4     3     5
  H     1.10321097  1  110.6123264  1 -117.4863325  1     4     3    13
  H     1.10484317  1  110.6577599  1 -101.4479744  1     5     4     3
  H     1.10094700  1  112.0637381  1 -118.4437742  1     5     4    15