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Electron Affinity calculation details for HO2 (Hydroperoxy radical)

States and conformations

State Conformation minimum conformation conformer description state description
1 1 yes CS 2A"
Energy calculated at CCD/6-31+G**
  Neutral Anion Difference
Units Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy VZPE Total
Hartrees -150.5304657     -150.5588348     0.0283690    
cm-1   3023.0     2800.9     222.1  
eV -4096.142 0.375 -4095.767 -4096.914 0.347 -4096.567 0.772 0.028 0.800
A scaling factor of 0.9423 was used for the vibrational zero-point energy (VZPE).