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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 | -794.7161848 | -795.0628265 | 0.3466417 | 0.0000000 | 795.0628265 | ||||||
| cm-1 | 292.0 | 275.7 | 16.2 | ||||||||
| eV | -21625.327 | 0.036 | -21625.291 | -21634.760 | 0.034 | -21634.726 | 9.433 | 0.002 | 9.435 | 0.000 | 21634.760 |