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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 | -677.9219972 | -678.1344543 | 0.2124571 | 0.0000000 | 678.1344543 | ||||||
| cm-1 | 716.9 | 580.8 | 136.1 | ||||||||
| eV | -18447.196 | 0.089 | -18447.107 | -18452.977 | 0.072 | -18452.905 | 5.781 | 0.017 | 5.798 | 0.000 | 18452.977 |