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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 | -288.7909515 | -289.1034274 | 0.3124759 | 0.0000000 | 289.1034274 | ||||||
| cm-1 | 1002.1 | 964.9 | 37.2 | ||||||||
| eV | -7858.401 | 0.124 | -7858.277 | -7866.904 | 0.120 | -7866.785 | 8.503 | 0.005 | 8.508 | 0.000 | 7866.904 |