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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 | -26.1407427 | -26.5824630 | 0.4417202 | 0.0000000 | 26.5824630 | ||||||
| cm-1 | 4456.5 | 5485.3 | -1028.9 | ||||||||
| eV | -711.326 | 0.553 | -710.773 | -723.346 | 0.680 | -722.666 | 12.020 | -0.128 | 11.892 | 0.000 | 723.346 |