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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 | -56.8596613 | -57.0295375 | 0.1698762 | 0.0000000 | 57.0295375 | ||||||
| cm-1 | 10497.1 | 9175.9 | 1321.2 | ||||||||
| eV | -1547.230 | 1.301 | -1545.929 | -1551.853 | 1.138 | -1550.715 | 4.623 | 0.164 | 4.786 | 0.000 | 1551.853 |