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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 | -343.4529556 | -343.6572881 | 0.2043325 | 0.0000000 | 343.6572881 | ||||||
| cm-1 | 7403.0 | 6318.4 | 1084.7 | ||||||||
| eV | -9345.830 | 0.918 | -9344.912 | -9351.390 | 0.783 | -9350.607 | 5.560 | 0.134 | 5.695 | 0.000 | 9351.390 |