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Electron Affinity calculation details for H2CO- (formaldehyde anion)

States and conformations

State Conformation minimum conformation conformer description state description
1 1 yes C2V 1A1
Energy calculated at PBEPBEultrafine/6-31G**
  Neutral Anion Difference
Units Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy VZPE Total
Hartrees -114.3698387     -114.3058674     -0.0639713    
cm-1   5593.9     4781.0     813.0  
eV -3112.162 0.694 -3111.468 -3110.421 0.593 -3109.828 -1.741 0.101 -1.640
A scaling factor of 0.9863 was used for the vibrational zero-point energy (VZPE).