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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 | -113.5540020 | -113.8991540 | 0.3451521 | 0.0000000 | 113.8991540 | ||||||
| cm-1 | 5392.3 | 5735.3 | -343.0 | ||||||||
| eV | -3089.962 | 0.669 | -3089.293 | -3099.354 | 0.711 | -3098.643 | 9.392 | -0.043 | 9.350 | 0.000 | 3099.354 |