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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 | -109.5944790 | -109.9038025 | 0.3093236 | 0.0000000 | 109.9038025 | ||||||
| cm-1 | 3474.3 | 2825.1 | 649.2 | ||||||||
| eV | -2982.217 | 0.431 | -2981.787 | -2990.635 | 0.350 | -2990.284 | 8.417 | 0.080 | 8.498 | 0.000 | 2990.635 |