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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 | -75.2508802 | -75.7352730 | 0.4843928 | 0.0000000 | 75.7352730 | ||||||
| cm-1 | 1433.7 | 1763.3 | -329.7 | ||||||||
| eV | -2047.681 | 0.178 | -2047.503 | -2060.862 | 0.219 | -2060.643 | 13.181 | -0.041 | 13.140 | 0.000 | 2060.862 |