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Electron Affinity calculation details for HSe (Selenium monohydride)

States and conformations

State Conformation minimum conformation conformer description state description
1 1 yes C*V 2Π
Energy calculated at B1B95/6-31G**
  Neutral Anion Difference
Units Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy VZPE Total
Hartrees -2400.2218205     -2400.2888502     0.0670297    
cm-1   1164.1     1136.8     27.2  
eV -65313.357 0.144 -65313.213 -65315.181 0.141 -65315.040 1.824 0.003 1.827
A scaling factor of 0.9548 was used for the vibrational zero-point energy (VZPE).