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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 | -55.4520873 | -55.8562710 | 0.4041837 | 0.0000000 | 55.8562710 | ||||||
| cm-1 | 3600.8 | 4019.3 | -418.6 | ||||||||
| eV | -1508.928 | 0.446 | -1508.482 | -1519.926 | 0.498 | -1519.428 | 10.998 | -0.052 | 10.947 | 0.000 | 1519.926 |