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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 | -99.6280050 | -100.1967004 | 0.5686954 | 0.0000000 | 100.1967004 | ||||||
| cm-1 | 1457.9 | 1959.0 | -501.1 | ||||||||
| eV | -2711.016 | 0.181 | -2710.835 | -2726.491 | 0.243 | -2726.248 | 15.475 | -0.062 | 15.413 | 0.000 | 2726.491 |