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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 | -93.5121120 | -93.8147504 | 0.3026384 | 0.0000000 | 93.8147504 | ||||||
| cm-1 | 5398.8 | 5633.2 | -234.3 | ||||||||
| eV | -2544.594 | 0.669 | -2543.925 | -2552.829 | 0.698 | -2552.131 | 8.235 | -0.029 | 8.206 | 0.000 | 2552.829 |