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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 | -416.2076183 | -416.5186109 | 0.3109926 | 0.0000000 | 416.5186109 | ||||||
| cm-1 | 706.4 | 614.1 | 92.2 | ||||||||
| eV | -11325.585 | 0.088 | -11325.498 | -11334.048 | 0.076 | -11333.972 | 8.463 | 0.011 | 8.474 | 0.000 | 11334.048 |