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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 | -534.1377019 | -534.5249494 | 0.3872474 | 0.0000000 | 534.5249494 | ||||||
| cm-1 | 607.4 | 393.3 | 214.1 | ||||||||
| eV | -14534.626 | 0.075 | -14534.551 | -14545.164 | 0.049 | -14545.115 | 10.538 | 0.027 | 10.564 | 0.000 | 14545.164 |