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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 | -76.1709389 | -76.5792567 | 0.4083177 | 0.0000000 | 76.5792567 | ||||||
| cm-1 | 5266.5 | 5442.7 | -176.2 | ||||||||
| eV | -2072.717 | 0.653 | -2072.064 | -2083.828 | 0.675 | -2083.153 | 11.111 | -0.022 | 11.089 | 0.000 | 2083.828 |