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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 | -23.8029683 | -24.0761626 | 0.2731943 | 0.0000000 | 24.0761626 | ||||||
| cm-1 | 59.9 | 243.9 | -184.0 | ||||||||
| eV | -647.712 | 0.007 | -647.704 | -655.146 | 0.030 | -655.115 | 7.434 | -0.023 | 7.411 | 0.000 | 655.146 |