PM7 Accuracy

cyclopentylamine    500 Cyclopentylamine

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

   

    #  Species Formula
   490 2-Methyl-1-propylamineC4H11N
   491 N-ButylamineC4H11N
   492 t-ButylamineC4H11N
   493 Pyridine (Geo)C5H5N
   494 PyridineC5H5N
   495 N-Methyl pyrroleC5H7N
   496 1,2,3,6-TetrahydropyridineC5H9N
   497 2-CyanobutaneC5H9N
   498 Butyl cyanideC5H9N
   499 t-ButylnitrileC5H9N
   500 Cyclopentylamine C5H11N
   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 CyclopentanecarbonitrileC6H9N


DHf: -13.1 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
Cyclopentylamine
 H=-13.11 HR=NIST
  N     0.02877638  1   0.02817612  1  -0.08718352  1
  C     1.30090148  1   0.53287461  1   0.47437817  1
  C     2.26800651  1  -0.64224357  1   0.74777468  1
  C     3.10703479  1  -0.21071163  1   1.96125242  1
  C     2.34535615  1   0.93670750  1   2.65778694  1
  C     1.05351386  1   1.17363233  1   1.85948610  1
  H    -0.64624149  1   0.76199316  1  -0.21536318  1
  H     0.16306022  1  -0.45502897  1  -0.95858826  1
  H     1.78920353  1   1.27470134  1  -0.20393845  1
  H     2.89148216  1  -0.87260551  1  -0.12632675  1
  H     1.69180845  1  -1.55804925  1   0.97655176  1
  H     4.10901834  1   0.12347232  1   1.64681830  1
  H     3.26644445  1  -1.05619727  1   2.64892667  1
  H     2.96171805  1   1.85030819  1   2.68631318  1
  H     2.11963367  1   0.68503089  1   3.70606658  1
  H     0.80529828  1   2.24045263  1   1.78070846  1
  H     0.19268170  1   0.68254063  1   2.35125027  1