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Calculated Ionization Energy for for Br2 (Bromine diatomic)

2009091408

AM1

  Cation Neutral Difference Vertical Difference
Units Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy Total
Hartrees                   0.0000000  
cm-1   216.6     198.4     18.2      
eV   0.027     0.025     0.002   0.000  
A scaling factor of 0.9535 was used for the vibrational zero-point energy (VZPE).