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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 | -138.6190025 | -139.0576219 | 0.4386194 | 0.0000000 | 139.0576219 | ||||||
| cm-1 | 6934.6 | 8302.1 | -1367.5 | ||||||||
| eV | -3772.015 | 0.860 | -3771.155 | -3783.950 | 1.029 | -3782.921 | 11.935 | -0.170 | 11.766 | 0.000 | 3783.950 |