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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 | -113.3363292 | -113.7208365 | 0.3845073 | 0.0000000 | 113.7208365 | ||||||
| cm-1 | 5070.7 | 5605.9 | -535.3 | ||||||||
| eV | -3084.038 | 0.629 | -3083.410 | -3094.501 | 0.695 | -3093.806 | 10.463 | -0.066 | 10.397 | 0.000 | 3094.501 |