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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 | -132.0007733 | -132.3585565 | 0.3577832 | 0.0000000 | 132.3585565 | ||||||
| cm-1 | 9085.5 | 9513.9 | -428.3 | ||||||||
| eV | -3591.924 | 1.126 | -3590.797 | -3601.659 | 1.180 | -3600.480 | 9.736 | -0.053 | 9.683 | 0.000 | 3601.659 |