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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 | -2688.6028738 | -2688.9661609 | 0.3632872 | 0.0000000 | 2688.9661609 | ||||||
| cm-1 | 344.4 | 276.9 | 67.4 | ||||||||
| eV | -73160.605 | 0.043 | -73160.562 | -73170.490 | 0.034 | -73170.456 | 9.886 | 0.008 | 9.894 | 0.000 | 73170.490 |