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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 | -2141.8586785 | -2142.2517513 | 0.3930728 | 0.0000000 | 2142.2517513 | ||||||
| cm-1 | 421.4 | 496.2 | -74.8 | ||||||||
| eV | -58282.939 | 0.052 | -58282.886 | -58293.635 | 0.062 | -58293.573 | 10.696 | -0.009 | 10.687 | 0.000 | 58293.635 |