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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 | -26.1107143 | -26.5465346 | 0.4358203 | 0.0000000 | 26.5465346 | ||||||
| cm-1 | 4479.0 | 5517.7 | -1038.7 | ||||||||
| eV | -710.509 | 0.555 | -709.953 | -722.368 | 0.684 | -721.684 | 11.859 | -0.129 | 11.730 | 0.000 | 722.368 |