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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 | -77.4441580 | -77.7571513 | 0.3129933 | 0.0000000 | 77.7571513 | ||||||
| cm-1 | 7270.5 | 7725.4 | -454.8 | ||||||||
| eV | -2107.363 | 0.901 | -2106.461 | -2115.880 | 0.958 | -2114.922 | 8.517 | -0.056 | 8.461 | 0.000 | 2115.880 |