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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 | -92.1708470 | -92.7218789 | 0.5510319 | 0.0000000 | 92.7218789 | ||||||
| cm-1 | 1000.1 | 1025.6 | -25.5 | ||||||||
| eV | -2508.096 | 0.124 | -2507.972 | -2523.091 | 0.127 | -2522.963 | 14.994 | -0.003 | 14.991 | 0.000 | 2523.091 |