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Electron Affinity calculation details for Si2 (Silicon diatomic)

States and conformations

State Conformation minimum conformation conformer description state description
1 1 yes D*H 3Σg
2 1 yes D*H 1Σg

State 1 (3Σg)

Jump to S2C1
Energy calculated at MP2=FULL/6-31+G**
  Neutral Anion Difference
Units Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy VZPE Total
Hartrees -577.8669878     -577.9383736     0.0713858    
cm-1   260.7     269.0     -8.2  
eV -15724.560 0.032 -15724.528 -15726.503 0.033 -15726.470 1.943 -0.001 1.941
A scaling factor of 0.9392 was used for the vibrational zero-point energy (VZPE).

State 2 (1Σg)

Jump to S1C1
Energy calculated at MP2=FULL/6-31+G**
  Neutral Anion Difference
Units Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy VZPE Total
Hartrees -577.8669878     -577.9383736     0.0713858    
cm-1   260.7     269.0     -8.2  
eV -15724.560 0.032 -15724.528 -15726.503 0.033 -15726.470 1.943 -0.001 1.941
A scaling factor of 0.9392 was used for the vibrational zero-point energy (VZPE).