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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 | -113.0546630 | -113.4398600 | 0.3851970 | 0.0000000 | 113.4398600 | ||||||
| cm-1 | 5213.8 | 5613.8 | -400.0 | ||||||||
| eV | -3076.374 | 0.646 | -3075.727 | -3086.856 | 0.696 | -3086.160 | 10.482 | -0.050 | 10.432 | 0.000 | 3086.856 |