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Electron Affinity calculation details for CCl2- (dichloromethylene anion)

States and conformations

State Conformation minimum conformation conformer description state description
1 1 yes C2V 1A1
Energy calculated at CISD/3-21G
  Neutral Anion Difference
Units Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy VZPE Total
Hartrees -952.2908331     -952.3693957     0.0785626    
cm-1   691.4     536.3     155.0  
eV -25913.151 0.086 -25913.066 -25915.289 0.066 -25915.223 2.138 0.019 2.157
A scaling factor of 0.9413 was used for the vibrational zero-point energy (VZPE).