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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 | -394.9207177 | -394.9733570 | 0.0526393 | 0.0000000 | 394.9733570 | ||||||
| cm-1 | 192.2 | 67.3 | 124.9 | ||||||||
| eV | -10746.339 | 0.024 | -10746.315 | -10747.772 | 0.008 | -10747.763 | 1.432 | 0.015 | 1.448 | 0.000 | 10747.772 |