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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 | -110.2790433 | -110.6168628 | 0.3378195 | 0.0000000 | 110.6168628 | ||||||
| cm-1 | 5575.0 | 5884.6 | -309.6 | ||||||||
| eV | -3000.845 | 0.691 | -3000.154 | -3010.038 | 0.730 | -3009.308 | 9.193 | -0.038 | 9.154 | 0.000 | 3010.038 |