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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 | -735.2284675 | -735.5497616 | 0.3212941 | 0.0000000 | 735.5497616 | ||||||
| cm-1 | 351.1 | 297.0 | 54.1 | ||||||||
| eV | -20006.584 | 0.044 | -20006.541 | -20015.327 | 0.037 | -20015.290 | 8.743 | 0.007 | 8.750 | 0.000 | 20015.327 |