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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 | -398.4449735 | -398.8040525 | 0.3590790 | 0.0000000 | 398.8040525 | ||||||
| cm-1 | 3079.6 | 3154.0 | -74.4 | ||||||||
| eV | -10842.239 | 0.382 | -10841.857 | -10852.010 | 0.391 | -10851.619 | 9.771 | -0.009 | 9.762 | 0.000 | 10852.010 |