PM7 Accuracy

di-sec-butylamine    541 Di-sec-butylamine

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    #  Species Formula
   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)-butylamineC8H17N
   540 2-Methyl-N-(2-methylpropyl)-1-propanamineC8H19N
   541 Di-sec-butylamine C8H19N
   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
   550 1,2,3,4-TetrahydroquinolineC9H11N
   551 5,6,7,8-TetrahydroquinolineC9H11N


DHf: -43.9 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
Di-sec-butylamine
 H=-43.88 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.52619278  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.54991437  1  111.4967160  1    0.0000000  0     2     1     0
  N     1.47744151  1  106.2786674  1  162.2011165  1     3     2     1
  C     1.47805278  1  115.5499647  1 -151.0989072  1     4     3     2
  C     1.54878114  1  106.5071919  1  150.8811325  1     5     4     3
  C     1.52630236  1  111.5349287  1 -162.5527145  1     6     5     4
  C     1.54043504  1  113.0634904  1  121.6079187  1     5     4     6
  C     1.53977377  1  110.5388101  1  123.2308576  1     3     2     4
  H     1.09591676  1  111.5269547  1  -58.2930919  1     1     2     3
  H     1.09535909  1  111.7817890  1  120.5699718  1     1     2    10
  H     1.09610995  1  110.9805560  1  119.8019892  1     1     2    11
  H     1.10389938  1  110.6586038  1 -123.0259053  1     2     1     3
  H     1.10978064  1  109.9931390  1 -116.3221256  1     2     1    13
  H     1.12014912  1  108.7621058  1  119.8710577  1     3     2     9
  H     1.01369788  1  112.0543760  1 -129.7882754  1     4     3     5
  H     1.11980948  1  108.6400394  1  121.3481807  1     5     4     8
  H     1.10396914  1  110.2111225  1 -123.3007737  1     6     5     7
  H     1.10985680  1  108.6784646  1 -115.2827579  1     6     5    18
  H     1.09591734  1  111.5160121  1   58.3478750  1     7     6     5
  H     1.09536892  1  111.7769821  1 -120.5626162  1     7     6    20
  H     1.09612008  1  110.9667945  1 -119.8174709  1     7     6    21
  H     1.09423353  1  111.6224814  1  -59.8097336  1     8     5     4
  H     1.09499931  1  110.9251405  1 -119.4732077  1     8     5    23
  H     1.09374747  1  111.4628320  1 -119.7457960  1     8     5    24
  H     1.09419669  1  111.6593257  1  -59.5723103  1     9     3     2
  H     1.09398631  1  111.4437889  1 -120.7325505  1     9     3    26
  H     1.09500917  1  110.8747594  1 -119.6826733  1     9     3    27