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Electron Affinity calculation details for HF+ (hydrogen fluoride cation)

States and conformations

State Conformation minimum conformation conformer description state description
1 1 yes C*V 1Σ
Energy calculated at B1B95/aug-cc-pVTZ
  Neutral Anion Difference
Units Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy VZPE Total
Hartrees -100.4626427     -100.4390720     -0.0235707    
cm-1   1984.8     1785.0     199.8  
eV -2733.728 0.246 -2733.481 -2733.086 0.221 -2732.865 -0.641 0.025 -0.617
A scaling factor of 0.9585 was used for the vibrational zero-point energy (VZPE).