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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 | -153.4380429 | -153.8006068 | 0.3625639 | 0.0000000 | 153.8006068 | ||||||
| cm-1 | 11184.0 | 11696.6 | -512.6 | ||||||||
| eV | -4175.261 | 1.387 | -4173.875 | -4185.127 | 1.450 | -4183.677 | 9.866 | -0.064 | 9.802 | 0.000 | 4185.127 |