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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 | -128.4154735 | -128.7171263 | 0.3016528 | 0.0000000 | 128.7171263 | ||||||
| cm-1 | 720.9 | 2120.1 | -1399.2 | ||||||||
| eV | -3494.363 | 0.089 | -3494.273 | -3502.571 | 0.263 | -3502.308 | 8.208 | -0.173 | 8.035 | 0.000 | 3502.571 |