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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 | -559.1621348 | -559.6336128 | 0.4714780 | 0.0000000 | 559.6336128 | ||||||
| cm-1 | 475.0 | 355.2 | 119.8 | ||||||||
| eV | -15215.575 | 0.059 | -15215.517 | -15228.405 | 0.044 | -15228.361 | 12.830 | 0.015 | 12.844 | 0.000 | 15228.405 |