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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 | -110.0069554 | -110.3430846 | 0.3361291 | 0.0000000 | 110.3430846 | ||||||
| cm-1 | 6423.7 | 6090.7 | 333.0 | ||||||||
| eV | -2993.441 | 0.796 | -2992.645 | -3002.588 | 0.755 | -3001.833 | 9.147 | 0.041 | 9.188 | 0.000 | 3002.588 |