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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 | -99.0597578 | -99.5462020 | 0.4864441 | 0.0000000 | 99.5462020 | ||||||
| cm-1 | 1015.3 | 949.0 | 66.3 | ||||||||
| eV | -2695.553 | 0.126 | -2695.427 | -2708.790 | 0.118 | -2708.672 | 13.237 | 0.008 | 13.245 | 0.000 | 2708.790 |