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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 | -761.9901346 | -762.1475530 | 0.1574184 | 0.0000000 | 762.1475530 | ||||||
| cm-1 | 37.6 | 63.9 | -26.3 | ||||||||
| eV | -20734.806 | 0.005 | -20734.801 | -20739.090 | 0.008 | -20739.082 | 4.284 | -0.003 | 4.280 | 0.000 | 20739.090 |