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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 | -106.4667316 | -106.9140953 | 0.4473637 | 0.0000000 | 106.9140953 | ||||||
| cm-1 | 165.8 | 480.4 | -314.6 | ||||||||
| eV | -2897.107 | 0.021 | -2897.087 | -2909.280 | 0.060 | -2909.221 | 12.173 | -0.039 | 12.134 | 0.000 | 2909.280 |