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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 | -78.2091407 | -78.5869429 | 0.3778022 | 0.0000000 | 78.5869429 | ||||||
| cm-1 | 10285.6 | 10768.4 | -482.8 | ||||||||
| eV | -2128.179 | 1.275 | -2126.904 | -2138.459 | 1.335 | -2137.124 | 10.281 | -0.060 | 10.221 | 0.000 | 2138.459 |