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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 | -113.0812772 | -113.4513743 | 0.3700971 | 0.0000000 | 113.4513743 | ||||||
| cm-1 | 5095.0 | 5598.8 | -503.8 | ||||||||
| eV | -3077.098 | 0.632 | -3076.466 | -3087.169 | 0.694 | -3086.475 | 10.071 | -0.062 | 10.008 | 0.000 | 3087.169 |