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Electron Affinity calculation details for LiH+ (lithium hydride cation)

States and conformations

State Conformation minimum conformation conformer description state description
1 1 yes C*V 1Σ
Energy calculated at B3LYP/Def2TZVPP
  Neutral Anion Difference
Units Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy VZPE Total
Hartrees -8.0874260     -8.0902734     0.0028474    
cm-1   681.8     540.8     141.0  
eV -220.070 0.085 -219.986 -220.148 0.067 -220.080 0.077 0.017 0.095
A scaling factor of 0.9626 was used for the vibrational zero-point energy (VZPE).