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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 | -48.9302346 | -49.1720032 | 0.2417686 | 0.0000000 | 49.1720032 | ||||||
| cm-1 | 214.8 | 641.1 | -426.3 | ||||||||
| eV | -1331.459 | 0.027 | -1331.433 | -1338.038 | 0.079 | -1337.959 | 6.579 | -0.053 | 6.526 | 0.000 | 1338.038 |