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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 | -342.4890730 | -342.8482882 | 0.3592152 | 0.0000000 | 342.8482882 | ||||||
| cm-1 | 5260.1 | 5308.0 | -47.9 | ||||||||
| eV | -9319.602 | 0.652 | -9318.949 | -9329.376 | 0.658 | -9328.718 | 9.775 | -0.006 | 9.769 | 0.000 | 9329.376 |