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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 | -91.9662710 | -92.4758540 | 0.5095830 | 0.0000000 | 92.4758540 | ||||||
| cm-1 | 1045.8 | 1268.1 | -222.3 | ||||||||
| eV | -2502.530 | 0.130 | -2502.400 | -2516.396 | 0.157 | -2516.239 | 13.866 | -0.028 | 13.839 | 0.000 | 2516.396 |