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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 | -26.0702379 | -26.5091666 | 0.4389287 | 0.0000000 | 26.5091666 | ||||||
| cm-1 | 4641.6 | 5602.3 | -960.7 | ||||||||
| eV | -709.407 | 0.575 | -708.832 | -721.351 | 0.695 | -720.657 | 11.944 | -0.119 | 11.825 | 0.000 | 721.351 |