Accuracy

butyl cyanide    496 Butyl cyanide

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    #  Species Formula
   486 PyrrolidineC4H9N
   487 2-ButylamineC4H11N
   488 2-Methyl-1-propylamineC4H11N
   489 N-ButylamineC4H11N
   490 t-ButylamineC4H11N
   491 Pyridine (Geo)C5H5N
   492 PyridineC5H5N
   493 N-Methyl pyrroleC5H7N
   494 1,2,3,6-TetrahydropyridineC5H9N
   495 2-CyanobutaneC5H9N
   496 Butyl cyanide C5H9N
   497 t-ButylnitrileC5H9N
   498 CyclopentylamineC5H11N
   499 PiperidineC5H11N
   500 N-Methyl-n-butylamineC5H13N
   501 1-CyclopentenecarbonitrileC6H7N
   502 2-CyclopentenecarbonitrileC6H7N
   503 2-Methyl pyridineC6H7N
   504 3-Methyl pyridineC6H7N
   505 4-Methyl pyridineC6H7N
   506 AnilineC6H7N


ΔHf: 2.7 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
Butyl cyanide
 H=2.65 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.52818551 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.53270104 +1  110.7287624 +1    0.0000000 +0     2     1     0
  C     1.53790390 +1  110.5988640 +1 -179.9623274 +1     3     2     1
  C     1.44404372 +1  110.5498575 +1 -179.8937512 +1     4     3     2
  N     1.15691064 +1  144.3194588 +1 -179.9919309 +1     5     3     4
  H     1.09612525 +1  111.6547561 +1  -60.0548045 +1     1     2     3
  H     1.09610844 +1  111.6458517 +1  120.3458325 +1     1     2     7
  H     1.09607196 +1  111.1786689 +1  119.8243713 +1     1     2     8
  H     1.10720721 +1  109.7700227 +1  122.0451209 +1     2     1     3
  H     1.10717243 +1  109.7672183 +1  115.9615088 +1     2     1    10
  H     1.10776039 +1  110.0376995 +1  121.9912580 +1     3     2     4
  H     1.10771190 +1  110.0539182 +1  116.0342429 +1     3     2    12
  H     1.11698651 +1  110.0068702 +1  122.1520093 +1     4     3     5
  H     1.11659929 +1  110.0461958 +1  115.6151275 +1     4     3    14