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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 | -113.9997170 | -114.3880056 | 0.3882886 | 0.0000000 | 114.3880056 | ||||||
| cm-1 | 5087.3 | 5630.6 | -543.3 | ||||||||
| eV | -3102.090 | 0.631 | -3101.459 | -3112.656 | 0.698 | -3111.958 | 10.566 | -0.067 | 10.499 | 0.000 | 3112.656 |