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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 | -106.8845790 | -107.3001178 | 0.4155388 | 0.0000000 | 107.3001178 | ||||||
| cm-1 | 141.0 | 420.0 | -279.0 | ||||||||
| eV | -2908.477 | 0.017 | -2908.460 | -2919.785 | 0.052 | -2919.733 | 11.307 | -0.035 | 11.273 | 0.000 | 2919.785 |