PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

c2n2r    596 Cyanogen (Geo)

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    #  Species Formula
   586 TriphenylamineC18H15N
   587 TrioctylamineC24H51N
   588 Nitrogen (Geo)N2
   589 NitrogenN2
   590 DiazeneH2N2
   591 HydrazineH4N2
   592 BH3-NH3, dimer (Geo)H12B2N2
   593 DiazomethaneCH2N2
   594 N=N-CH2-CH2N2
   595 MethylhydrazineCH6N2
   596 Cyanogen (Geo) C2N2
   597 CyanogenC2N2
   598 Dimethyldiazene (Geo)C2H6N2
   599 1,1-DimethylhydrazineC2H8N2
   600 1,2-DimethylhydrazineC2H8N2
   601 EthylenediamineC2H8N2
   602 1H-PyrazoleC3H4N2
   603 ImidazoleC3H4N2
   604 1,2-PropanediamineC3H10N2
   605 DicyanoacetyleneC4N2
   606 FumaronitrileC4H2N2


REF: G. Herzberg, "Molecular Spectra and Molecular Structure III. Electronic Spectra and Electronic Structure of Polyatomic Molecules," Van Nostrand, New York, N.Y., 1966.
  
 SYMMETRY PM7
Cyanogen
 GR=HERZ1966 <C-N> <C-C>
  N     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.15400000 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.38900000 +1  180.0000000 +0    0.0000000 +0     2     1     0
  N     1.15400000 +0  180.0000000 +0    0.0000000 +0     3     2     1