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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 | -114.1179768 | -114.5125558 | 0.3945790 | 0.0000000 | 114.5125558 | ||||||
| cm-1 | 5080.9 | 5633.2 | -552.3 | ||||||||
| eV | -3105.308 | 0.630 | -3104.678 | -3116.045 | 0.698 | -3115.347 | 10.737 | -0.068 | 10.669 | 0.000 | 3116.045 |