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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 | -622.2120782 | -622.6858299 | 0.4737517 | 0.0000000 | 622.6858299 | ||||||
| cm-1 | 3321.8 | 2651.6 | 670.2 | ||||||||
| eV | -16931.252 | 0.412 | -16930.840 | -16944.143 | 0.329 | -16943.814 | 12.891 | 0.083 | 12.975 | 0.000 | 16944.143 |