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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 | -26.1179790 | -26.5515926 | 0.4336136 | 0.0000000 | 26.5515926 | ||||||
| cm-1 | 4511.4 | 5556.1 | -1044.7 | ||||||||
| eV | -710.706 | 0.559 | -710.147 | -722.506 | 0.689 | -721.817 | 11.799 | -0.130 | 11.670 | 0.000 | 722.506 |