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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 | -686.9641801 | -687.3456963 | 0.3815162 | 0.0000000 | 687.3456963 | ||||||
| cm-1 | 349.7 | 352.7 | -3.0 | ||||||||
| eV | -18693.246 | 0.043 | -18693.203 | -18703.628 | 0.044 | -18703.584 | 10.382 | -0.000 | 10.381 | 0.000 | 18703.628 |