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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 | -113.2508387 | -113.5337150 | 0.2828763 | 0.0000000 | 113.5337150 | ||||||
| cm-1 | 3495.4 | 2812.2 | 683.1 | ||||||||
| eV | -3081.712 | 0.433 | -3081.279 | -3089.409 | 0.349 | -3089.061 | 7.697 | 0.085 | 7.782 | 0.000 | 3089.409 |