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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 | -153.1401851 | -153.5208590 | 0.3806739 | 0.0000000 | 153.5208590 | ||||||
| cm-1 | 11634.1 | 12204.8 | -570.7 | ||||||||
| eV | -4167.156 | 1.442 | -4165.714 | -4177.515 | 1.513 | -4176.002 | 10.359 | -0.071 | 10.288 | 0.000 | 4177.515 |