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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 | -25.8721089 | -26.3091646 | 0.4370557 | 0.0000000 | 26.3091646 | ||||||
| cm-1 | 4084.3 | 5583.9 | -1499.6 | ||||||||
| eV | -704.016 | 0.506 | -703.509 | -715.909 | 0.692 | -715.216 | 11.893 | -0.186 | 11.707 | 0.000 | 715.909 |