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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 | -128.8987458 | -129.2645453 | 0.3657995 | 0.0000000 | 129.2645453 | ||||||
| cm-1 | 1198.5 | 968.9 | 229.5 | ||||||||
| eV | -3507.513 | 0.149 | -3507.365 | -3517.467 | 0.120 | -3517.347 | 9.954 | 0.028 | 9.982 | 0.000 | 3517.467 |