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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 | -324.0196500 | -324.5946562 | 0.5750063 | 0.0000000 | 324.5946562 | ||||||
| cm-1 | 2175.2 | 2635.2 | -460.0 | ||||||||
| eV | -8817.023 | 0.270 | -8816.753 | -8832.670 | 0.327 | -8832.343 | 15.647 | -0.057 | 15.590 | 0.000 | 8832.670 |