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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 | -113.8327539 | -114.2351711 | 0.4024172 | 0.0000000 | 114.2351711 | ||||||
| cm-1 | 5167.0 | 5626.1 | -459.2 | ||||||||
| eV | -3097.547 | 0.641 | -3096.906 | -3108.497 | 0.698 | -3107.800 | 10.950 | -0.057 | 10.893 | 0.000 | 3108.497 |