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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 | -114.0764424 | -114.4618771 | 0.3854347 | 0.0000000 | 114.4618771 | ||||||
| cm-1 | 5027.0 | 5632.3 | -605.2 | ||||||||
| eV | -3104.178 | 0.623 | -3103.555 | -3114.666 | 0.698 | -3113.968 | 10.488 | -0.075 | 10.413 | 0.000 | 3114.666 |