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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 | -7.7373512 | -8.0086469 | 0.2712957 | 0.0000000 | 8.0086469 | ||||||
| cm-1 | 178.8 | 649.5 | -470.6 | ||||||||
| eV | -210.544 | 0.022 | -210.522 | -217.926 | 0.081 | -217.846 | 7.382 | -0.058 | 7.324 | 0.000 | 217.926 |