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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 | -151.9530921 | -152.2944866 | 0.3413944 | 0.0000000 | 152.2944866 | ||||||
| cm-1 | 11669.1 | 12005.1 | -336.0 | ||||||||
| eV | -4134.854 | 1.447 | -4133.407 | -4144.144 | 1.488 | -4142.655 | 9.290 | -0.042 | 9.248 | 0.000 | 4144.144 |