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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 | -92.1851400 | -92.6908230 | 0.5056830 | 0.0000000 | 92.6908230 | ||||||
| cm-1 | 1031.0 | 1071.3 | -40.3 | ||||||||
| eV | -2508.485 | 0.128 | -2508.357 | -2522.246 | 0.133 | -2522.113 | 13.760 | -0.005 | 13.755 | 0.000 | 2522.246 |