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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 | -398.9883122 | -399.3625868 | 0.3742746 | 0.0000000 | 399.3625868 | ||||||
| cm-1 | 3062.8 | 3172.6 | -109.9 | ||||||||
| eV | -10857.024 | 0.380 | -10856.644 | -10867.209 | 0.393 | -10866.815 | 10.185 | -0.014 | 10.171 | 0.000 | 10867.209 |