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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 | -436.9229767 | -437.2579119 | 0.3349352 | 0.0000000 | 437.2579119 | ||||||
| cm-1 | 5063.4 | 5242.5 | -179.1 | ||||||||
| eV | -11889.279 | 0.628 | -11888.651 | -11898.393 | 0.650 | -11897.743 | 9.114 | -0.022 | 9.092 | 0.000 | 11898.393 |