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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 | -114.1123024 | -114.5091947 | 0.3968922 | 0.0000000 | 114.5091947 | ||||||
| cm-1 | 5070.7 | 5621.2 | -550.5 | ||||||||
| eV | -3105.154 | 0.629 | -3104.525 | -3115.954 | 0.697 | -3115.257 | 10.800 | -0.068 | 10.732 | 0.000 | 3115.954 |