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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 | -24.1879864 | -24.7646468 | 0.5766604 | 0.0000000 | 24.7646468 | ||||||
| cm-1 | 1421.8 | 1963.0 | -541.2 | ||||||||
| eV | -658.189 | 0.176 | -658.012 | -673.880 | 0.243 | -673.637 | 15.692 | -0.067 | 15.625 | 0.000 | 673.880 |