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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 | -15.3855162 | -15.7988234 | 0.4133072 | 0.0000000 | 15.7988234 | ||||||
| cm-1 | 1478.1 | 2624.1 | -1146.0 | ||||||||
| eV | -418.661 | 0.183 | -418.478 | -429.908 | 0.325 | -429.582 | 11.247 | -0.142 | 11.105 | 0.000 | 429.908 |