Accuracy

succinonitrile    608 Succinonitrile

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

   

    #  Species Formula
   598 1,2-DimethylhydrazineC2H8N2
   599 EthylenediamineC2H8N2
   600 1H-PyrazoleC3H4N2
   601 ImidazoleC3H4N2
   602 1,2-PropanediamineC3H10N2
   603 DicyanoacetyleneC4N2
   604 FumaronitrileC4H2N2
   605 1,3-DiazineC4H4N2
   606 PyrazineC4H4N2
   607 PyridazineC4H4N2
   608 Succinonitrile C4H4N2
   609 2-Methyl-1H-imidazoleC4H6N2
   610 (Dimethylamino) acetonitrileC4H8N2
   611 1,4,5,6-TetrahydropyrimidineC4H8N2
   612 PiperazineC4H10N2
   613 2-AminopyridineC5H6N2
   614 3-AminopyridineC5H6N2
   615 4-AminopyridineC5H6N2
   616 Dimethyl propanedinitrileC5H6N2
   617 2-Ethyl-1H-imidazoleC5H8N2
   618 DiethylcyanamideC5H10N2


ΔHf: 50.1 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
Succinonitrile
 H=50.11 HR=NIST
  C     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.53988187 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.44421589 +1  110.3236136 +1    0.0000000 +1     2     1     0
  H     1.11932670 +1  110.3127022 +1  122.3320339 +1     2     1     3
  H     1.11932573 +1  110.3025031 +1 -122.3136702 +1     2     1     3
  H     1.11929944 +1  110.3129267 +1   57.7194055 +1     1     2     3
  C     1.44421053 +1  110.2895242 +1 -179.9729796 +1     1     2     3
  H     1.11931459 +1  110.3208498 +1  -57.6526394 +1     1     2     3
  N     1.15609442 +1  179.7923841 +1 -179.9996203 +1     3     2     1
  N     1.15605970 +1  179.8295031 +1 -179.9995909 +1     7     1     2