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Electron Affinity calculation details for N2H4 (cyanide anion)

States and conformations

State Conformation minimum conformation conformer description state description
1 1 yes C*V 2Σ
Energy calculated at MP2/6-31G(2df,p)
  Neutral Anion Difference
Units Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy VZPE Total
Hartrees -92.4780693     -92.6158887     0.1378194    
cm-1   1364.4     936.2     428.2  
eV -2516.456 0.169 -2516.287 -2520.206 0.116 -2520.090 3.750 0.053 3.803
A scaling factor of 0.9445 was used for the vibrational zero-point energy (VZPE).