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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 | -129.9117829 | -130.2854327 | 0.3736498 | 0.0000000 | 130.2854327 | ||||||
| cm-1 | 4448.6 | 3042.4 | 1406.1 | ||||||||
| eV | -3535.079 | 0.552 | -3534.528 | -3545.247 | 0.377 | -3544.870 | 10.168 | 0.174 | 10.342 | 0.000 | 3545.247 |