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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 | -92.9048691 | -93.3983609 | 0.4934919 | 0.0000000 | 93.3983609 | ||||||
| cm-1 | 3070.4 | 3451.8 | -381.5 | ||||||||
| eV | -2528.070 | 0.381 | -2527.689 | -2541.499 | 0.428 | -2541.071 | 13.429 | -0.047 | 13.381 | 0.000 | 2541.499 |