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Electron Affinity calculation details for AlS- (aluminum monosulfide anion)

States and conformations

State Conformation minimum conformation conformer description state description
1 1 yes C*V 2Σ
Energy calculated at PBEPBE/6-31G*
  Neutral Anion Difference
Units Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy VZPE Total
Hartrees -640.2774205     -640.3650554     0.0876349    
cm-1   295.8     269.2     26.6  
eV -17422.835 0.037 -17422.798 -17425.219 0.033 -17425.186 2.385 0.003 2.388
A scaling factor of 0.9857 was used for the vibrational zero-point energy (VZPE).