PM7 Accuracy

n-methyl-n-butylamine    502 N-Methyl-n-butylamine

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    #  Species Formula
   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 CyclopentylamineC5H11N
   501 PiperidineC5H11N
   502 N-Methyl-n-butylamine C5H13N
   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
   511 2-MethylpiperidineC6H13N
   512 CyclohexamethylenimineC6H13N


DHf: -25.9 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-Methyl-n-butylamine
 H=-25.9 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.52908451  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.53263907  1  110.6899676  1    0.0000000  0     2     1     0
  C     1.53843673  1  110.4073018  1 -179.2060639  1     3     2     1
  N     1.48297825  1  108.9824672  1 -174.6992216  1     4     3     2
  C     1.47690192  1  111.3215504  1 -174.3419668  1     5     4     3
  H     1.09596930  1  111.3865469  1  -59.5905703  1     1     2     3
  H     1.09560929  1  111.4716700  1  120.1097448  1     1     2     7
  H     1.09549045  1  111.2235152  1  119.9751567  1     1     2     8
  H     1.10670095  1  109.9160998  1  121.8134141  1     2     1     3
  H     1.10633707  1  109.9349108  1  116.2204082  1     2     1    10
  H     1.10457940  1  110.3106921  1  122.4452245  1     3     2     4
  H     1.10838912  1  110.3033191  1  116.4549922  1     3     2    12
  H     1.11260506  1  110.0182154  1  117.6595779  1     4     3     5
  H     1.11010783  1  110.2708883  1  117.7988744  1     4     3    14
  H     1.01839653  1  110.6630156  1  123.1697256  1     5     4     6
  H     1.10320627  1  109.1636810  1  -63.2598361  1     6     5     4
  H     1.09986705  1  114.5924743  1  121.8787354  1     6     5    17
  H     1.10301804  1  108.6768762  1  121.6327136  1     6     5    18