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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 | -152.2380864 | -152.5891577 | 0.3510713 | 0.0000000 | 152.5891577 | ||||||
| cm-1 | 6611.7 | 6696.9 | -85.2 | ||||||||
| eV | -4142.609 | 0.820 | -4141.789 | -4152.162 | 0.830 | -4151.332 | 9.553 | -0.011 | 9.543 | 0.000 | 4152.162 |