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Electron Affinity calculation details for SiO (Silicon monoxide)

States and conformations

State Conformation minimum conformation conformer description state description
1 1 yes C*V 1Σ
Energy calculated at PBEPBE/cc-pVTZ
  Neutral Anion Difference
Units Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy VZPE Total
Hartrees -364.5405745     -364.5298952     -0.0106794    
cm-1   592.1     502.6     89.5  
eV -9919.654 0.073 -9919.580 -9919.363 0.062 -9919.301 -0.291 0.011 -0.280
A scaling factor of 0.9931 was used for the vibrational zero-point energy (VZPE).