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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 | -748.1569814 | -748.4312935 | 0.2743122 | 0.0000000 | 748.4312935 | ||||||
| cm-1 | 259.2 | 206.6 | 52.6 | ||||||||
| eV | -20358.387 | 0.032 | -20358.355 | -20365.851 | 0.026 | -20365.826 | 7.464 | 0.007 | 7.471 | 0.000 | 20365.851 |