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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 | -99.6865738 | -100.2514418 | 0.5648680 | 0.0000000 | 100.2514418 | ||||||
| cm-1 | 1433.6 | 1953.5 | -519.9 | ||||||||
| eV | -2712.610 | 0.178 | -2712.432 | -2727.980 | 0.242 | -2727.738 | 15.371 | -0.064 | 15.306 | 0.000 | 2727.980 |