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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 | -118.1024942 | -118.3737132 | 0.2712189 | 0.0000000 | 118.3737132 | ||||||
| cm-1 | 18591.2 | 18575.1 | 16.1 | ||||||||
| eV | -3213.732 | 2.305 | -3211.427 | -3221.113 | 2.303 | -3218.810 | 7.380 | 0.002 | 7.382 | 0.000 | 3221.113 |