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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 | -92.6962115 | -93.2002066 | 0.5039950 | 0.0000000 | 93.2002066 | ||||||
| cm-1 | 3901.8 | 3339.2 | 562.6 | ||||||||
| eV | -2522.392 | 0.484 | -2521.908 | -2536.107 | 0.414 | -2535.693 | 13.714 | 0.070 | 13.784 | 0.000 | 2536.107 |