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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 | -200.3920156 | -200.6529987 | 0.2609831 | 0.0000000 | 200.6529987 | ||||||
| cm-1 | 826.5 | 705.4 | 121.2 | ||||||||
| eV | -5452.944 | 0.102 | -5452.842 | -5460.046 | 0.087 | -5459.958 | 7.102 | 0.015 | 7.117 | 0.000 | 5460.046 |