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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 | -49.0598286 | -49.3823562 | 0.3225276 | 0.0000000 | 49.3823562 | ||||||
| cm-1 | 181.1 | 484.0 | -302.9 | ||||||||
| eV | -1334.986 | 0.022 | -1334.963 | -1343.762 | 0.060 | -1343.702 | 8.776 | -0.038 | 8.739 | 0.000 | 1343.762 |