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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 | -38.7159758 | -39.0979314 | 0.3819557 | 0.0000000 | 39.0979314 | ||||||
| cm-1 | 3494.7 | 3677.5 | -182.8 | ||||||||
| eV | -1053.515 | 0.433 | -1053.082 | -1063.909 | 0.456 | -1063.453 | 10.394 | -0.023 | 10.371 | 0.000 | 1063.909 |