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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 | -2382.8476224 | -2383.2056182 | 0.3579958 | 0.0000000 | 2383.2056182 | ||||||
| cm-1 | 175.1 | 166.0 | 9.0 | ||||||||
| eV | -64840.581 | 0.022 | -64840.560 | -64850.323 | 0.021 | -64850.302 | 9.742 | 0.001 | 9.743 | 0.000 | 64850.323 |