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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 | -2690.1106308 | -2690.4774885 | 0.3668577 | 0.0000000 | 2690.4774885 | ||||||
| cm-1 | 280.2 | 281.9 | -1.7 | ||||||||
| eV | -73201.633 | 0.035 | -73201.598 | -73211.616 | 0.035 | -73211.581 | 9.983 | -0.000 | 9.982 | 0.000 | 73211.616 |