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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 | -153.1538402 | -153.5408873 | 0.3870472 | 0.0000000 | 153.5408873 | ||||||
| cm-1 | 11822.0 | 12473.6 | -651.6 | ||||||||
| eV | -4167.528 | 1.466 | -4166.062 | -4178.060 | 1.547 | -4176.513 | 10.532 | -0.081 | 10.451 | 0.000 | 4178.060 |