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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 | -82.3063204 | -82.6189395 | 0.3126191 | 0.0000000 | 82.6189395 | ||||||
| cm-1 | 170.9 | 397.0 | -226.1 | ||||||||
| eV | -2239.669 | 0.021 | -2239.648 | -2248.176 | 0.049 | -2248.126 | 8.507 | -0.028 | 8.479 | 0.000 | 2248.176 |