PM7 Accuracy

dibutylamine    542 Dibutylamine

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    #  Species Formula
   532 1-NorbornylcyanideC8H11N
   533 1-NorbornylisocyanideC8H11N
   534 5-Ethyl-2-methyl-pyridineC8H11N
   535 N,N-Dimethyl anilineC8H11N
   536 N-Ethyl anilineC8H11N
   537 3-Azabicyclo[3.2.2]nonaneC8H15N
   538 n-Heptyl cyanideC8H15N
   539 N-(2-Methylpropylidene)-butylamineC8H17N
   540 2-Methyl-N-(2-methylpropyl)-1-propanamineC8H19N
   541 Di-sec-butylamineC8H19N
   542 Dibutylamine C8H19N
   543 N-(2-Methylpropyl)-1-butanamineC8H19N
   544 n-OctylamineC8H19N
   545 IsoquinolineC9H7N
   546 QuinolineC9H7N
   547 2,6-DimethylbenzonitrileC9H9N
   548 (1a,2a,4a)-Bicyclo[2.2.2]oct-5-ene-2-carbonitrileC9H11N
   549 (1a,2b,4a)-Bicyclo[2.2.2]oct-5-ene-2-carbonitrileC9H11N
   550 1,2,3,4-TetrahydroquinolineC9H11N
   551 5,6,7,8-TetrahydroquinolineC9H11N
   552 N,N-Dimethyl m-toluidineC9H13N


DHf: -40.9 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
Dibutylamine
 H=-40.89 HR=NIST
  C     0.00619804  1  -0.07225592  1  -0.00851534  1
  C     1.32577700  1   0.69907987  1  -0.04522818  1
  C     2.16468107  1   0.40100213  1   1.20222143  1
  C     3.48662123  1   1.18742369  1   1.16478635  1
  N     4.31914927  1   0.77662241  1   2.32006706  1
  C     5.57364097  1   1.56224391  1   2.39124037  1
  C     6.34545364  1   1.14868937  1   3.65640892  1
  C     7.70689483  1   1.85034298  1   3.70812770  1
  C     8.47503103  1   1.44753779  1   4.96697422  1
  H     0.17592669  1  -1.15388614  1   0.04377598  1
  H    -0.59901637  1   0.20827309  1   0.86061159  1
  H    -0.59309850  1   0.12376460  1  -0.90451547  1
  H     1.89361449  1   0.42987775  1  -0.95664618  1
  H     1.12537826  1   1.78450405  1  -0.12068603  1
  H     1.59432801  1   0.64967160  1   2.11505294  1
  H     2.38401894  1  -0.68322920  1   1.26903691  1
  H     4.05065616  1   0.94144359  1   0.23748987  1
  H     3.28484072  1   2.27937849  1   1.14319064  1
  H     3.79481040  1   0.85133681  1   3.18937873  1
  H     6.17282801  1   1.32457600  1   1.48421949  1
  H     5.39964897  1   2.65892094  1   2.38781949  1
  H     5.75722322  1   1.38578083  1   4.56108190  1
  H     6.47791074  1   0.04844174  1   3.66327711  1
  H     8.29888307  1   1.59584325  1   2.80824506  1
  H     7.57249196  1   2.94833737  1   3.68320280  1
  H     7.92798565  1   1.72194566  1   5.87569706  1
  H     8.64727444  1   0.36554354  1   5.00078237  1
  H     9.45336271  1   1.93857268  1   5.01005398  1