PM7 Accuracy

n-methyl pyrrole    495 N-Methyl pyrrole

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    #  Species Formula
   485 PyrroleC4H5N
   486 ButanenitrileC4H7N
   487 Isobutane nitrileC4H7N
   488 PyrrolidineC4H9N
   489 2-ButylamineC4H11N
   490 2-Methyl-1-propylamineC4H11N
   491 N-ButylamineC4H11N
   492 t-ButylamineC4H11N
   493 Pyridine (Geo)C5H5N
   494 PyridineC5H5N
   495 N-Methyl pyrrole C5H7N
   496 1,2,3,6-TetrahydropyridineC5H9N
   497 2-CyanobutaneC5H9N
   498 Butyl cyanideC5H9N
   499 t-ButylnitrileC5H9N
   500 CyclopentylamineC5H11N
   501 PiperidineC5H11N
   502 N-Methyl-n-butylamineC5H13N
   503 1-CyclopentenecarbonitrileC6H7N
   504 2-CyclopentenecarbonitrileC6H7N
   505 2-Methyl pyridineC6H7N


DHf: 24.6 kcal/mol,     REF: Assessment of Gaussian-3 and Density Functional Theories for a Larger Test Set" L. A. Curtiss, K. Raghavachari, P. C. Redfern, and J. A. Pople, Journal of Chemical Physics, 112, 7374 (2000).
  
 PM7
N-Methyl pyrrole
 H=24.6 HR=G3-99
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.39678974  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.42000984  1  107.5700447  1    0.0000000  0     2     1     0
  C     1.39709188  1  107.5684175  1    0.0000397  1     3     2     1
  N     1.38589996  1  107.6695429  1   -0.0016150  1     1     2     3
  C     1.44914662  1  124.7968920  1  179.9239625  1     5     1     2
  H     1.06878895  1  129.7467674  1 -179.9913225  1     1     2     5
  H     1.06754202  1  126.4364207  1  179.9973472  1     2     1     3
  H     1.06744078  1  125.8613702  1  179.9957545  1     3     2     4
  H     1.06911685  1  129.5877501  1 -179.9994399  1     4     3     2
  H     1.10654177  1  110.7705931  1  -60.3132372  1     6     5     1
  H     1.10653342  1  110.7793463  1  120.1131285  1     6     5    11
  H     1.10452172  1  111.1501501  1  119.9420042  1     6     5    12