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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 | -5147.9448774 | -5148.3353905 | 0.3905131 | 0.0000000 | 5148.3353905 | ||||||
| cm-1 | 185.4 | 160.3 | 25.1 | ||||||||
| eV | -140082.704 | 0.023 | -140082.681 | -140093.331 | 0.020 | -140093.311 | 10.626 | 0.003 | 10.630 | 0.000 | 140093.331 |