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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 | -89.2853939 | -89.6476046 | 0.3622107 | -89.2791447 | 0.3684599 | ||||||
| cm-1 | 600.1 | 655.6 | -55.6 | ||||||||
| eV | -2429.579 | 0.074 | -2429.505 | -2439.435 | 0.081 | -2439.354 | 9.856 | -0.007 | 9.849 | -2429.409 | 10.026 |