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Electron Affinity calculation details for MgCl+ (magnesium monochloride cation)

States and conformations

State Conformation minimum conformation conformer description state description
1 1 yes C*V 2Σ
Energy calculated at MP2=FULL/6-31G*
  Neutral Anion Difference
Units Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy VZPE Total
Hartrees -659.3053069     -659.3427265     0.0374196    
cm-1   223.4     152.4     71.0  
eV -17940.610 0.028 -17940.582 -17941.628 0.019 -17941.609 1.018 0.009 1.027
A scaling factor of 0.9422 was used for the vibrational zero-point energy (VZPE).