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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 | -198.6082352 | -199.1558979 | 0.5476628 | 0.0000000 | 199.1558979 | ||||||
| cm-1 | 400.7 | 483.9 | -83.2 | ||||||||
| eV | -5404.405 | 0.050 | -5404.355 | -5419.308 | 0.060 | -5419.248 | 14.903 | -0.010 | 14.892 | 0.000 | 5419.308 |