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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 | -498.9733511 | -499.3809550 | 0.4076039 | 0.0000000 | 499.3809550 | ||||||
| cm-1 | 7428.1 | 8067.4 | -639.3 | ||||||||
| eV | -13577.755 | 0.921 | -13576.834 | -13588.847 | 1.000 | -13587.847 | 11.091 | -0.079 | 11.012 | 0.000 | 13588.847 |