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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 | -198.7670714 | -199.3410710 | 0.5739996 | 0.0000000 | 199.3410710 | ||||||
| cm-1 | 557.7 | 462.8 | 94.9 | ||||||||
| eV | -5408.727 | 0.069 | -5408.658 | -5424.346 | 0.057 | -5424.289 | 15.619 | 0.012 | 15.631 | 0.000 | 5424.346 |