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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 | -2235.5952793 | -2235.9488185 | 0.3535391 | 0.0000000 | 2235.9488185 | ||||||
| cm-1 | 4644.1 | 4692.7 | -48.6 | ||||||||
| eV | -60833.641 | 0.576 | -60833.066 | -60843.262 | 0.582 | -60842.680 | 9.620 | -0.006 | 9.614 | 0.000 | 60843.262 |