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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 LSDA/6-311G*
  Neutral Anion Difference
Units Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy VZPE Total
Hartrees -459.6745404     -459.6715110     -0.0030294    
cm-1   1379.8     333.1     1046.6  
eV -12508.380 0.171 -12508.209 -12508.298 0.041 -12508.257 -0.082 0.130 0.047
A scaling factor of 0.9837 was used for the vibrational zero-point energy (VZPE).