Accuracy

1-norbornylisocyanide    531 1-Norbornylisocyanide

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    #  Species Formula
   521 m-ToluidineC7H9N
   522 N-MethylanilineC7H9N
   523 o-ToluidineC7H9N
   524 p-ToluidineC7H9N
   525 CyanocyclohexaneC7H11N
   526 CyclohexanecarbonitrileC7H11N
   527 Hexahydro-1H-pyrrolizineC7H13N
   528 n-HeptanenitrileC7H13N
   529 IsopropylbutylamineC7H17N
   530 1-NorbornylcyanideC8H11N
   531 1-Norbornylisocyanide C8H11N
   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-butylamineC8H19N
   540 DibutylamineC8H19N
   541 N-(2-Methylpropyl)-1-butanamineC8H19N


ΔHf: 39.6 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
1-Norbornylisocyanide
 H=39.6 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.55292735 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.55061746 +1  103.8559415 +1    0.0000000 +0     2     1     0
  C     1.56359788 +1  102.7309452 +1    0.1475954 +1     3     2     1
  C     1.56331049 +1  107.9639343 +1  -71.3433063 +1     4     3     2
  C     1.55270593 +1  107.8820724 +1   70.7606867 +1     1     2     3
  C     1.55066472 +1  101.8307789 +1 -106.7345378 +1     1     2     6
  N     1.40750354 +1  114.0489048 +1 -127.8976044 +1     4     3     5
  C     1.17943061 +1  145.1778466 +1  179.5885181 +1     8     3     4
  H     1.09329511 +1  114.0561787 +1 -125.4066693 +1     1     2     7
  H     1.09989133 +1  111.0547719 +1  119.7926103 +1     2     1     3
  H     1.09857255 +1  111.8714072 +1  119.2404488 +1     2     1    11
  H     1.09899845 +1  111.8740727 +1  119.3435416 +1     3     2     4
  H     1.09719996 +1  112.4922893 +1  120.2653988 +1     3     2    13
  H     1.09900566 +1  111.2136407 +1 -168.9849465 +1     5     4     3
  H     1.09721552 +1  111.8302104 +1  119.3435666 +1     5     4    15
  H     1.09862683 +1  111.8751928 +1   50.1189384 +1     6     1     2
  H     1.09989008 +1  111.0557743 +1  119.2283984 +1     6     1    17
  H     1.09393459 +1  114.1733657 +1  -61.9943647 +1     7     1     2
  H     1.09393336 +1  114.1746232 +1 -124.5607478 +1     7     1    19