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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 | -99.8301380 | -100.3971685 | 0.5670306 | 0.0000000 | 100.3971685 | ||||||
| cm-1 | 1407.6 | 1923.0 | -515.5 | ||||||||
| eV | -2716.516 | 0.175 | -2716.342 | -2731.946 | 0.238 | -2731.707 | 15.430 | -0.064 | 15.366 | 0.000 | 2731.946 |