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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 | -493.6310284 | -493.9334854 | 0.3024570 | 0.0000000 | 493.9334854 | ||||||
| cm-1 | 5619.0 | 5538.2 | 80.9 | ||||||||
| eV | -13432.383 | 0.697 | -13431.687 | -13440.614 | 0.687 | -13439.927 | 8.230 | 0.010 | 8.240 | 0.000 | 13440.614 |