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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 | -114.2562788 | -114.5943129 | 0.3380341 | 0.0000000 | 114.5943129 | ||||||
| cm-1 | 679.1 | 591.3 | 87.8 | ||||||||
| eV | -3109.071 | 0.084 | -3108.987 | -3118.270 | 0.073 | -3118.197 | 9.198 | 0.011 | 9.209 | 0.000 | 3118.270 |