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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 | -150.6342860 | -151.0090048 | 0.3747188 | 0.0000000 | 151.0090048 | ||||||
| cm-1 | 5299.5 | 5122.1 | 177.4 | ||||||||
| eV | -4098.967 | 0.657 | -4098.310 | -4109.164 | 0.635 | -4108.529 | 10.197 | 0.022 | 10.219 | 0.000 | 4109.164 |