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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 | -106.8900019 | -107.2834236 | 0.3934217 | 0.0000000 | 107.2834236 | ||||||
| cm-1 | 142.3 | 438.4 | -296.1 | ||||||||
| eV | -2908.625 | 0.018 | -2908.607 | -2919.330 | 0.054 | -2919.276 | 10.706 | -0.037 | 10.669 | 0.000 | 2919.330 |