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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 | -593.9757689 | -594.3253105 | 0.3495416 | 0.0000000 | 594.3253105 | ||||||
| cm-1 | 119.4 | 109.4 | 10.0 | ||||||||
| eV | -16162.903 | 0.015 | -16162.888 | -16172.414 | 0.014 | -16172.401 | 9.512 | 0.001 | 9.513 | 0.000 | 16172.414 |