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Electron Affinity calculation details for CH3COCH3 (Acetone)

States and conformations

State Conformation minimum conformation conformer description state description
1 1 yes C2V 1A1
Energy calculated at MP2=FULL/cc-pVDZ
  Neutral Anion Difference
Units Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy VZPE Total
Hartrees -192.5871529     -192.5063992     -0.0807537    
cm-1   17626.8     16813.7     813.1  
eV -5240.563 2.185 -5238.377 -5238.366 2.085 -5236.281 -2.197 0.101 -2.097
A scaling factor of 0.9504 was used for the vibrational zero-point energy (VZPE).