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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 | -99.8586270 | -100.4425511 | 0.5839241 | 0.0000000 | 100.4425511 | ||||||
| cm-1 | 1440.7 | 1945.9 | -505.2 | ||||||||
| eV | -2717.291 | 0.179 | -2717.113 | -2733.181 | 0.241 | -2732.940 | 15.889 | -0.063 | 15.827 | 0.000 | 2733.181 |