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Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology |
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| You are here: Home > Ions > Energy > Calculated Ionization Energy OR Calculated > Energy > Ion > Calculated Ionization Energy | |
| Cation | Neutral | Difference | Vertical | Difference | |||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| Units | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | VZPE | Total | Electronic Energy | Total |
| Hartrees | -496.4296850 | -496.8298203 | 0.4001354 | 0.0000000 | 496.8298203 | ||||||
| cm-1 | 7421.8 | 8101.4 | -679.6 | ||||||||
| eV | -13508.539 | 0.920 | -13507.619 | -13519.427 | 1.004 | -13518.423 | 10.888 | -0.084 | 10.804 | 0.000 | 13519.427 |