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Electron Affinity calculation details for Li3 (Methyl alcohol)

States and conformations

State Conformation minimum conformation conformer description state description
1 1 yes CS 1A'
Energy calculated at B3LYP/STO-3G
  Neutral Anion Difference
Units Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy VZPE Total
Hartrees -114.1790524     -113.8844883     -0.2945641    
cm-1   10724.1     8696.9     2027.2  
eV -3106.970 1.330 -3105.640 -3098.955 1.078 -3097.876 -8.015 0.251 -7.764
A scaling factor of 0.8924 was used for the vibrational zero-point energy (VZPE).