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Calculated Ionization Energy for for Br2 (Bromine diatomic)

2009091408

MP2/SDD

  Cation Neutral Difference Vertical Difference
Units Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy Total
Hartrees -25.9157242     -26.2962792     0.3805551     0.0000000 26.2962792
cm-1   128.0     131.4     -3.4      
eV -705.203 0.016 -705.187 -715.558 0.016 -715.542 10.355 -0.000 10.355 0.000 715.558
A scaling factor of 0.9653 was used for the vibrational zero-point energy (VZPE).