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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 | -16.2591282 | -16.5552234 | 0.2960952 | 0.0000000 | 16.5552234 | ||||||
| cm-1 | 5044.2 | 5259.2 | -215.0 | ||||||||
| eV | -442.433 | 0.625 | -441.808 | -450.491 | 0.652 | -449.838 | 8.057 | -0.027 | 8.031 | 0.000 | 450.491 |