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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 | -352.2126003 | -352.6370120 | 0.4244117 | 0.0000000 | 352.6370120 | ||||||
| cm-1 | 2757.2 | 2556.5 | 200.8 | ||||||||
| eV | -9584.192 | 0.342 | -9583.850 | -9595.741 | 0.317 | -9595.424 | 11.549 | 0.025 | 11.574 | 0.000 | 9595.741 |