PM7 Accuracy

dimethyl propanedinitrile    618 Dimethyl propanedinitrile

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    #  Species Formula
   608 PyrazineC4H4N2
   609 PyridazineC4H4N2
   610 SuccinonitrileC4H4N2
   611 2-Methyl-1H-imidazoleC4H6N2
   612 (Dimethylamino) acetonitrileC4H8N2
   613 1,4,5,6-TetrahydropyrimidineC4H8N2
   614 PiperazineC4H10N2
   615 2-AminopyridineC5H6N2
   616 3-AminopyridineC5H6N2
   617 4-AminopyridineC5H6N2
   618 Dimethyl propanedinitrile C5H6N2
   619 2-Ethyl-1H-imidazoleC5H8N2
   620 DiethylcyanamideC5H10N2
   621 ButylmethyldiazeneC5H12N2
   622 ButylmethyldiazineC5H12N2
   623 N,N-Dimethyl-1,3-propanediamineC5H14N2
   624 2-CyanopyridineC6H4N2
   625 3-CyanopyridineC6H4N2
   626 4-CyanopyridineC6H4N2
   627 2,3-Dimethyl pyrazineC6H8N2
   628 HexanedinitrileC6H8N2


DHf: 47.1 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
Dimethyl propanedinitrile
 H=47.12 HR=NIST
  C     0.00000000  0    0.0000000  0    0.0000000  0     0     0     0
  C     1.53902813  1    0.0000000  0    0.0000000  0     1     0     0
  C     1.53850666  1  110.9109342  1    0.0000000  0     2     1     0
  C     1.46187832  1  109.1015386  1 -120.2595229  1     2     1     3
  N     1.15486460  1  143.1044221  1 -178.6640812  1     4     1     2
  C     1.46202327  1  109.0995095  1 -119.3964033  1     2     1     4
  N     1.15503879  1  143.1765058  1  178.8088022  1     6     1     2
  H     1.09815639  1  111.3640175  1  -59.7929663  1     1     2     3
  H     1.09881869  1  111.7967151  1 -120.0943462  1     1     2     8
  H     1.09815105  1  111.3545334  1 -120.0884204  1     1     2     9
  H     1.09821390  1  111.3566362  1   59.7185457  1     3     2     1
  H     1.09888328  1  111.8057352  1  120.1012729  1     3     2    11
  H     1.09820910  1  111.3527630  1  120.0845092  1     3     2    12