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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 | -399.0453230 | -399.2796836 | 0.2343606 | 0.0000000 | 399.2796836 | ||||||
| cm-1 | 102.8 | 7.4 | 95.4 | ||||||||
| eV | -10858.575 | 0.013 | -10858.563 | -10864.953 | 0.001 | -10864.952 | 6.377 | 0.012 | 6.389 | 0.000 | 10864.953 |