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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 | -212.2669088 | -212.7327218 | 0.4658130 | 0.0000000 | 212.7327218 | ||||||
| cm-1 | 3910.1 | 4415.9 | -505.8 | ||||||||
| eV | -5776.076 | 0.485 | -5775.592 | -5788.752 | 0.548 | -5788.204 | 12.675 | -0.063 | 12.613 | 0.000 | 5788.752 |