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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 | -639.0699219 | -639.4209706 | 0.3510487 | -639.0698934 | 0.3510772 | ||||||
| cm-1 | 254.6 | 276.4 | -21.7 | ||||||||
| eV | -17389.977 | 0.032 | -17389.945 | -17399.529 | 0.034 | -17399.495 | 9.553 | -0.003 | 9.550 | -17389.976 | 9.553 |