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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 | -99.8378193 | -100.4103052 | 0.5724860 | 0.0000000 | 100.4103052 | ||||||
| cm-1 | 1535.6 | 2110.3 | -574.7 | ||||||||
| eV | -2716.725 | 0.190 | -2716.535 | -2732.303 | 0.262 | -2732.042 | 15.578 | -0.071 | 15.507 | 0.000 | 2732.303 |