PM7 Accuracy

   537 3-Azabicyclo[3.2.2]nonane

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    #  Species Formula
   527 CyanocyclohexaneC7H11N
   528 CyclohexanecarbonitrileC7H11N
   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]nonane C8H15N
   538 n-Heptyl cyanideC8H15N
   539 N-(2-Methylpropylidene)-butylamineC8H17N
   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



DHf: -10.4 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.

  

3-Azabicyclo[3.2.2]nonane
 H=-10.44 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0                     0.0000
  C     1.54079399  1    0.0000000  0    0.0000000  0     1     0     0   0.0000
  C     1.53749983  1  113.2948354  1    0.0000000  0     2     1     0   0.0000
  C     1.54164585  1  113.5076434  1   -4.0955060  1     3     2     1   0.0000
  C     1.54081122  1  110.5050143  1  -48.9340248  1     4     3     2   0.0000
  C     1.54111171  1  110.0009949  1   54.2376274  1     1     2     3   0.0000
  C     1.55186285  1  111.5784096  1 -125.4533646  1     1     2     6   0.0000
  N     1.48734328  1  116.4482519  1   90.4476336  1     7     1     2   0.0000
  C     1.48747824  1  113.3488834  1  -55.9772122  1     8     7     1   0.0000
  H     1.11786759  1  107.6414851  1 -117.1769224  1     1     2     7   0.0000
  H     1.10625195  1  108.7511103  1 -121.7679212  1     2     1     3   0.0000
  H     1.10503924  1  109.6504200  1 -115.1516612  1     2     1    11   0.0000
  H     1.10606542  1  109.2210674  1 -121.6464704  1     3     2     4   0.0000
  H     1.10536104  1  109.7893715  1 -115.4520921  1     3     2    13   0.0000
  H     1.11819583  1  107.5466917  1 -117.4713230  1     4     3     5   0.0000
  H     1.10472387  1  109.6084039  1  175.9170125  1     5     4     3   0.0000
  H     1.10620691  1  108.6172687  1  114.9911477  1     5     4    16   0.0000
  H     1.10471832  1  109.6938287  1 -174.0578282  1     6     1     2   0.0000
  H     1.10601803  1  108.7678195  1 -114.9836251  1     6     1    18   0.0000
  H     1.11094029  1  109.5233055  1  121.3732125  1     7     1     8   0.0000
  H     1.11140277  1  109.5745918  1  116.0583454  1     7     1    20   0.0000
  H     1.02765474  1  108.9800820  1  121.3609277  1     8     7     9   0.0000
  H     1.11087512  1  107.0746489  1  176.5358802  1     9     8     7   0.0000
  H     1.11167178  1  107.6341725  1  113.7372574  1     9     8    23   0.0000