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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 | -26.1103215 | -26.5559525 | 0.4456310 | 0.0000000 | 26.5559525 | ||||||
| cm-1 | 4583.9 | 5616.3 | -1032.4 | ||||||||
| eV | -710.498 | 0.568 | -709.930 | -722.624 | 0.696 | -721.928 | 12.126 | -0.128 | 11.998 | 0.000 | 722.624 |