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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 | -113.8932760 | -114.2870597 | 0.3937837 | 0.0000000 | 114.2870597 | ||||||
| cm-1 | 5217.1 | 5657.0 | -439.8 | ||||||||
| eV | -3099.194 | 0.647 | -3098.547 | -3109.909 | 0.701 | -3109.208 | 10.715 | -0.055 | 10.661 | 0.000 | 3109.909 |