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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 | -1925.1609698 | -1925.4731344 | 0.3121645 | 0.0000000 | 1925.4731344 | ||||||
| cm-1 | 589.3 | 752.1 | -162.8 | ||||||||
| eV | -52386.294 | 0.073 | -52386.221 | -52394.789 | 0.093 | -52394.695 | 8.494 | -0.020 | 8.474 | 0.000 | 52394.789 |