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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 | -26.1177636 | -26.5517481 | 0.4339845 | 0.0000000 | 26.5517481 | ||||||
| cm-1 | 4507.7 | 5540.1 | -1032.3 | ||||||||
| eV | -710.700 | 0.559 | -710.142 | -722.510 | 0.687 | -721.823 | 11.809 | -0.128 | 11.681 | 0.000 | 722.510 |