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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 | -422.3732979 | -422.7951694 | 0.4218715 | 0.0000000 | 422.7951694 | ||||||
| cm-1 | 592.9 | 572.1 | 20.9 | ||||||||
| eV | -11493.362 | 0.074 | -11493.288 | -11504.842 | 0.071 | -11504.771 | 11.480 | 0.003 | 11.482 | 0.000 | 11504.842 |