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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 | -2068.1266426 | -2068.4160281 | 0.2893855 | 0.0000000 | 2068.4160281 | ||||||
| cm-1 | 4370.0 | 4101.9 | 268.1 | ||||||||
| eV | -56276.588 | 0.542 | -56276.046 | -56284.463 | 0.509 | -56283.954 | 7.875 | 0.033 | 7.908 | 0.000 | 56284.463 |