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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 | -99.6691303 | -100.2301689 | 0.5610386 | 0.0000000 | 100.2301689 | ||||||
| cm-1 | 1486.5 | 1991.9 | -505.5 | ||||||||
| eV | -2712.135 | 0.184 | -2711.951 | -2727.402 | 0.247 | -2727.155 | 15.267 | -0.063 | 15.204 | 0.000 | 2727.402 |