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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 | -38.5710143 | -38.9247575 | 0.3537432 | 0.0000000 | 38.9247575 | ||||||
| cm-1 | 3350.8 | 3456.1 | -105.2 | ||||||||
| eV | -1049.571 | 0.415 | -1049.155 | -1059.197 | 0.428 | -1058.768 | 9.626 | -0.013 | 9.613 | 0.000 | 1059.197 |