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Electron Affinity calculation details for XeH+ (Hydrogen chloride)

States and conformations

State Conformation minimum conformation conformer description state description
1 1 yes C*V 1Σ
Energy calculated at PBEPBE/6-311+G(3df,2p)
  Neutral Anion Difference
Units Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy VZPE Total
Hartrees -460.6289069     -460.6024499     -0.0264570    
cm-1   1440.4     278.4     1162.0  
eV -12534.350 0.179 -12534.171 -12533.630 0.035 -12533.596 -0.720 0.144 -0.576
A scaling factor of 0.9918 was used for the vibrational zero-point energy (VZPE).