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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 | -451.1513446 | -451.4949665 | 0.3436219 | 0.0000000 | 451.4949665 | ||||||
| cm-1 | 711.3 | 599.7 | 111.5 | ||||||||
| eV | -12276.452 | 0.088 | -12276.364 | -12285.803 | 0.074 | -12285.728 | 9.350 | 0.014 | 9.364 | 0.000 | 12285.803 |