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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 | -2150.2642045 | -2150.6624894 | 0.3982849 | 0.0000000 | 2150.6624894 | ||||||
| cm-1 | 436.6 | 506.3 | -69.7 | ||||||||
| eV | -58511.665 | 0.054 | -58511.611 | -58522.503 | 0.063 | -58522.440 | 10.838 | -0.009 | 10.829 | 0.000 | 58522.503 |