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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 | -128.3661615 | -128.6742256 | 0.3080641 | 0.0000000 | 128.6742256 | ||||||
| cm-1 | 2408.8 | 2601.2 | -192.4 | ||||||||
| eV | -3493.021 | 0.299 | -3492.722 | -3501.404 | 0.323 | -3501.081 | 8.383 | -0.024 | 8.359 | 0.000 | 3501.404 |