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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 | -198.7698451 | -199.3448269 | 0.5749818 | 0.0000000 | 199.3448269 | ||||||
| cm-1 | 601.0 | 511.5 | 89.5 | ||||||||
| eV | -5408.803 | 0.075 | -5408.728 | -5424.449 | 0.063 | -5424.385 | 15.646 | 0.011 | 15.657 | 0.000 | 5424.449 |