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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 | -2021.9216060 | -2022.2920603 | 0.3704544 | 0.0000000 | 2022.2920603 | ||||||
| cm-1 | 317.4 | 307.7 | 9.6 | ||||||||
| eV | -55019.285 | 0.039 | -55019.246 | -55029.366 | 0.038 | -55029.327 | 10.081 | 0.001 | 10.082 | 0.000 | 55029.366 |