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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 | -114.6604299 | -114.9326463 | 0.2722165 | 0.0000000 | 114.9326463 | ||||||
| cm-1 | 8952.2 | 8235.5 | 716.7 | ||||||||
| eV | -3120.069 | 1.110 | -3118.959 | -3127.476 | 1.021 | -3126.455 | 7.407 | 0.089 | 7.496 | 0.000 | 3127.476 |