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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 | -74.0489325 | -74.3648857 | 0.3159532 | 0.0000000 | 74.3648857 | ||||||
| cm-1 | 1403.5 | 1659.5 | -256.0 | ||||||||
| eV | -2014.974 | 0.174 | -2014.800 | -2023.571 | 0.206 | -2023.366 | 8.598 | -0.032 | 8.566 | 0.000 | 2023.571 |