Accuracy

di-sec-butylamine    539 Di-sec-butylamine

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    #  Species Formula
   529 IsopropylbutylamineC7H17N
   530 1-NorbornylcyanideC8H11N
   531 1-NorbornylisocyanideC8H11N
   532 5-Ethyl-2-methyl-pyridineC8H11N
   533 N,N-Dimethyl anilineC8H11N
   534 N-Ethyl anilineC8H11N
   535 3-Azabicyclo[3.2.2]nonaneC8H15N
   536 n-Heptyl cyanideC8H15N
   537 N-(2-Methylpropylidene)-butylamineC8H17N
   538 2-Methyl-N-(2-methylpropyl)-1-propanamineC8H19N
   539 Di-sec-butylamine C8H19N
   540 DibutylamineC8H19N
   541 N-(2-Methylpropyl)-1-butanamineC8H19N
   542 n-OctylamineC8H19N
   543 IsoquinolineC9H7N
   544 QuinolineC9H7N
   545 2,6-DimethylbenzonitrileC9H9N
   546 (1a,2a,4a)-Bicyclo[2.2.2]oct-5-ene-2-carbonitrileC9H11N
   547 (1a,2b,4a)-Bicyclo[2.2.2]oct-5-ene-2-carbonitrileC9H11N
   548 1,2,3,4-TetrahydroquinolineC9H11N
   549 5,6,7,8-TetrahydroquinolineC9H11N


ΔHf: -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