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

cyanogen    597 Cyanogen

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    #  Species Formula
   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 Cyanogen C2N2
   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
   607 1,3-DiazineC4H4N2


ΔHf: 73.8 kcal/mol,     REF: J. O. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds," Academic Press, New York, N.Y., 1970.
I.P.: 13.4 eV,     REF: R. D. Levin, S. G. Lias, "Ionization Potentials and Appearance Potential Measurements," 1971-1981, Natl. Stand. Ref. Data Ser., Natl. Bur. Stand. 71, (1982), Cat. No. C13.48:71.
  
 SYMMETRY PM7
Cyanogen
 I=13.36 IR=LLNBS82 H=73.8 HR=C&P1970 S=57.82 CP=13.58
  N     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.15678077 +1    0.0000000 +0    0.0000000 +0     1     0     0
  C     1.38760758 +1  180.0000000 +0    0.0000000 +0     2     1     0
  N     1.15678077 +0  180.0000000 +0    0.0000000 +0     3     2     1