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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 | -388.4304774 | -388.6930718 | 0.2625944 | 0.0000000 | 388.6930718 | ||||||
| cm-1 | 484.8 | 394.2 | 90.7 | ||||||||
| eV | -10569.731 | 0.060 | -10569.671 | -10576.876 | 0.049 | -10576.828 | 7.146 | 0.011 | 7.157 | 0.000 | 10576.876 |