Accuracy

hexanedinitrile    625 Hexanedinitrile

(Previous)     (Back)     (Next)         Geometry predicted using PM7

    

    #  Species Formula
   615 4-AminopyridineC5H6N2
   616 Dimethyl propanedinitrileC5H6N2
   617 2-Ethyl-1H-imidazoleC5H8N2
   618 DiethylcyanamideC5H10N2
   619 ButylmethyldiazeneC5H12N2
   620 N,N-Dimethyl-1,3-propanediamineC5H14N2
   621 2-CyanopyridineC6H4N2
   622 3-CyanopyridineC6H4N2
   623 4-CyanopyridineC6H4N2
   624 2,3-Dimethyl pyrazineC6H8N2
   625 Hexanedinitrile C6H8N2
   626 PhenylhydrazineC6H8N2
   627 3(Dimethylamino) propanenitrileC6H12N2
   628 TetramethyldiazetineC6H12N2
   629 TriethylenediamineC6H12N2
   630 1,2-DiisopropyldiazeneC6H14N2
   631 DipropyldiazeneC6H14N2
   632 1H-BenzimidazoleC7H6N2
   633 1H-IndazoleC7H6N2
   634 1-Methyl-1-phenylhydrazineC7H10N2
   635 t-ButylmalononitrileC7H10N2


ΔHf: 35.7 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
Hexanedinitrile
 H=35.7 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.44442361 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.53817197 +1  110.4758100 +1    0.0000000 +0     2     1     0
  C     1.53099923 +1  110.2931332 +1  179.9724603 +1     3     2     1
  C     1.53842352 +1  110.2989750 +1  179.9873339 +1     4     3     2
  C     1.44458713 +1  110.4175012 +1  179.8574976 +1     5     4     3
  N     1.15658684 +1  143.9437456 +1 -179.9827685 +1     6     4     5
  N     1.15656985 +1  144.1065509 +1 -179.9979146 +1     1     3     2
  H     1.11722875 +1  110.3871683 +1 -122.1419856 +1     2     1     3
  H     1.11731641 +1  110.3821896 +1 -115.7562979 +1     2     1     9
  H     1.10839396 +1  109.9234595 +1  122.0252599 +1     3     2     4
  H     1.10847425 +1  109.9223000 +1  115.9757756 +1     3     2    11
  H     1.10833049 +1  110.4431157 +1 -121.7168662 +1     4     3     5
  H     1.10845780 +1  110.4337220 +1 -116.5946459 +1     4     3    13
  H     1.11704851 +1  110.1503321 +1  122.2089673 +1     5     4     6
  H     1.11704213 +1  110.1975275 +1  115.6182414 +1     5     4    15