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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 | -92.9622364 | -93.4605685 | 0.4983321 | 0.0000000 | 93.4605685 | ||||||
| cm-1 | 3049.3 | 3477.6 | -428.2 | ||||||||
| eV | -2529.631 | 0.378 | -2529.253 | -2543.191 | 0.431 | -2542.760 | 13.560 | -0.053 | 13.507 | 0.000 | 2543.191 |