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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 | -415.3908000 | -415.6725019 | 0.2817019 | 0.0000000 | 415.6725019 | ||||||
| cm-1 | 459.1 | 467.7 | -8.6 | ||||||||
| eV | -11303.359 | 0.057 | -11303.302 | -11311.024 | 0.058 | -11310.966 | 7.665 | -0.001 | 7.664 | 0.000 | 11311.024 |