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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 | -106.9323712 | -107.3222749 | 0.3899037 | 0.0000000 | 107.3222749 | ||||||
| cm-1 | 163.6 | 505.0 | -341.5 | ||||||||
| eV | -2909.778 | 0.020 | -2909.758 | -2920.388 | 0.063 | -2920.325 | 10.610 | -0.042 | 10.567 | 0.000 | 2920.388 |