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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 | -113.7216141 | -113.9722318 | 0.2506177 | 0.0000000 | 113.9722318 | ||||||
| cm-1 | 8377.5 | 7693.2 | 684.3 | ||||||||
| eV | -3094.522 | 1.039 | -3093.484 | -3101.342 | 0.954 | -3100.388 | 6.820 | 0.085 | 6.904 | 0.000 | 3101.342 |