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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 | -110.0059079 | -110.3403324 | 0.3344244 | 0.0000000 | 110.3403324 | ||||||
| cm-1 | 6189.7 | 5892.5 | 297.2 | ||||||||
| eV | -2993.413 | 0.767 | -2992.646 | -3002.513 | 0.731 | -3001.783 | 9.100 | 0.037 | 9.137 | 0.000 | 3002.513 |