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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 | -674.3684308 | -674.5882310 | 0.2198002 | 0.0000000 | 674.5882310 | ||||||
| cm-1 | 628.4 | 557.4 | 71.0 | ||||||||
| eV | -18350.498 | 0.078 | -18350.420 | -18356.479 | 0.069 | -18356.410 | 5.981 | 0.009 | 5.990 | 0.000 | 18356.479 |