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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 | -52.5308950 | -52.9543706 | 0.4234756 | 0.0000000 | 52.9543706 | ||||||
| cm-1 | 11768.2 | 13298.6 | -1530.5 | ||||||||
| eV | -1429.438 | 1.459 | -1427.979 | -1440.962 | 1.649 | -1439.313 | 11.523 | -0.190 | 11.334 | 0.000 | 1440.962 |