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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 | -595.4158186 | -595.7326784 | 0.3168598 | 0.0000000 | 595.7326784 | ||||||
| cm-1 | 4032.4 | 3645.1 | 387.2 | ||||||||
| eV | -16202.088 | 0.500 | -16201.588 | -16210.711 | 0.452 | -16210.259 | 8.622 | 0.048 | 8.670 | 0.000 | 16210.711 |