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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 | -152.6096828 | -152.9293395 | 0.3196568 | -152.6058562 | 0.3234833 | ||||||
| cm-1 | 11495.3 | 11803.3 | -308.0 | ||||||||
| eV | -4152.721 | 1.425 | -4151.295 | -4161.419 | 1.463 | -4159.956 | 8.698 | -0.038 | 8.660 | -4152.617 | 8.802 |