Azimine Triimide , HNN H NH

Ab initio calculations for the Isomers of azimine predicted a planar arrangement of all 6 atoms and a bent chain of the 3 N atoms. The energetically favored (Z,Z) isomer (A) of azimine was calculated to have a Ai ground state and C2V symmetry [5, 9]. The (E,E) isomer (B) of azimine also has C2V symmetry and its energy is higher by 41 kJ/mol at the SCF level. 

Internuclear distances in A and bond angles in degree at the MBPT(2) level are as follows  

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