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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 | -5.5063664 | -5.8790335 | 0.3726671 | 0.0000000 | 5.8790335 | ||||||
| cm-1 | 1357.8 | 1329.3 | 28.5 | ||||||||
| eV | -149.836 | 0.168 | -149.668 | -159.977 | 0.165 | -159.812 | 10.141 | 0.004 | 10.144 | 0.000 | 159.977 |