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return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Calculated Ionization Energy for for F2- (flourine diatomic anion)

2009091E

MP2/6-31+G**

  Cation Neutral Difference Vertical Difference
Units Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy VZPE Total Electronic Energy Total
Hartrees -198.4949854     -199.0530636     0.5580782     0.0000000 199.0530636
cm-1   343.9     452.9     -108.9      
eV -5401.323 0.043 -5401.281 -5416.509 0.056 -5416.453 15.186 -0.014 15.173 0.000 5416.509
A scaling factor of 0.9406 was used for the vibrational zero-point energy (VZPE).