PM7 Accuracy

n-(2-methylpropylidene)-butylamine    539 N-(2-Methylpropylidene)-butylamine

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    #  Species Formula
   529 Hexahydro-1H-pyrrolizineC7H13N
   530 n-HeptanenitrileC7H13N
   531 IsopropylbutylamineC7H17N
   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)-butylamine C8H17N
   540 2-Methyl-N-(2-methylpropyl)-1-propanamineC8H19N
   541 Di-sec-butylamineC8H19N
   542 DibutylamineC8H19N
   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


DHf: -21.8 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-(2-Methylpropylidene)-butylamine
 H=-21.8 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.52885635  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.53293255  1  110.7502971  1    0.0000000  0     2     1     0
  C     1.53897586  1  110.3947580  1  179.8800331  1     3     2     1
  N     1.44963500  1  117.4246265  1  179.8898246  1     4     3     2
  C     1.27919800  1  123.6993158  1    0.0407472  1     5     4     3
  C     1.51528032  1  118.0605950  1  179.9717188  1     6     5     4
  C     1.53154422  1  108.8350459  1  119.4714873  1     7     6     5
  C     1.53178057  1  108.7678375  1  121.3343324  1     7     6     8
  H     1.09572124  1  111.5388147  1  -60.0074112  1     1     2     3
  H     1.09571457  1  111.5269058  1  120.2609562  1     1     2    10
  H     1.09588454  1  111.1906661  1  119.8626671  1     1     2    11
  H     1.10684799  1  109.8799302  1 -121.9788249  1     2     1     3
  H     1.10693469  1  109.8776556  1 -116.0959947  1     2     1    13
  H     1.10585868  1  109.8513934  1  121.7982526  1     3     2     4
  H     1.10598048  1  109.8521231  1  116.4804702  1     3     2    15
  H     1.11805627  1  109.9282105  1 -121.9807536  1     4     3     5
  H     1.11793066  1  109.9535367  1 -115.9984645  1     4     3    17
  H     1.09507985  1  127.1715714  1 -179.9684160  1     6     5     7
  H     1.12091303  1  109.7304541  1  119.3335853  1     7     6     9
  H     1.09498765  1  111.9425389  1   61.1871751  1     8     7     6
  H     1.09688101  1  111.0444028  1 -120.4600062  1     8     7    21
  H     1.09589870  1  111.0012486  1 -119.4028031  1     8     7    22
  H     1.09681507  1  111.0357832  1   59.4822317  1     9     7     6
  H     1.09493389  1  111.9437905  1 -120.4939017  1     9     7    24
  H     1.09590227  1  110.9805836  1 -120.1107599  1     9     7    25