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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 | -470.6233456 | -471.0085741 | 0.3852284 | 0.0000000 | 471.0085741 | ||||||
| cm-1 | 629.3 | 523.4 | 105.9 | ||||||||
| eV | -12806.313 | 0.078 | -12806.234 | -12816.795 | 0.065 | -12816.730 | 10.483 | 0.013 | 10.496 | 0.000 | 12816.795 |