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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 | -388.3616450 | -388.6257848 | 0.2641398 | 0.0000000 | 388.6257848 | ||||||
| cm-1 | 469.4 | 400.4 | 69.0 | ||||||||
| eV | -10567.858 | 0.058 | -10567.800 | -10575.045 | 0.050 | -10574.996 | 7.188 | 0.009 | 7.196 | 0.000 | 10575.045 |