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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 | -110.0510011 | -110.4012547 | 0.3502536 | 0.0000000 | 110.4012547 | ||||||
| cm-1 | 5580.9 | 5964.4 | -383.6 | ||||||||
| eV | -2994.640 | 0.692 | -2993.948 | -3004.171 | 0.739 | -3003.431 | 9.531 | -0.048 | 9.483 | 0.000 | 3004.171 |