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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 | -113.5458436 | -113.8504004 | 0.3045568 | 0.0000000 | 113.8504004 | ||||||
| cm-1 | 3495.5 | 2762.9 | 732.6 | ||||||||
| eV | -3089.740 | 0.433 | -3089.306 | -3098.027 | 0.343 | -3097.684 | 8.287 | 0.091 | 8.378 | 0.000 | 3098.027 |