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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 | -139.2388807 | -139.6991936 | 0.4603129 | 0.0000000 | 139.6991936 | ||||||
| cm-1 | 7263.5 | 8638.6 | -1375.0 | ||||||||
| eV | -3788.883 | 0.901 | -3787.982 | -3801.408 | 1.071 | -3800.337 | 12.526 | -0.170 | 12.355 | 0.000 | 3801.408 |