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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 | -323.8844718 | -324.4285258 | 0.5440540 | 0.0000000 | 324.4285258 | ||||||
| cm-1 | 2140.8 | 2639.6 | -498.8 | ||||||||
| eV | -8813.345 | 0.265 | -8813.079 | -8828.149 | 0.327 | -8827.822 | 14.804 | -0.062 | 14.743 | 0.000 | 8828.149 |