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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 | -608.6451639 | -609.0782675 | 0.4331036 | 0.0000000 | 609.0782675 | ||||||
| cm-1 | 2679.7 | 864.4 | 1815.3 | ||||||||
| eV | -16562.077 | 0.332 | -16561.745 | -16573.863 | 0.107 | -16573.755 | 11.785 | 0.225 | 12.010 | 0.000 | 16573.863 |