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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 | -79.3059441 | -79.7262373 | 0.4202931 | 0.0000000 | 79.7262373 | ||||||
| cm-1 | 13465.8 | 15795.8 | -2329.9 | ||||||||
| eV | -2158.024 | 1.670 | -2156.355 | -2169.461 | 1.958 | -2167.503 | 11.437 | -0.289 | 11.148 | 0.000 | 2169.461 |