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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 | -499.4436986 | -499.8604670 | 0.4167684 | 0.0000000 | 499.8604670 | ||||||
| cm-1 | 7075.7 | 8074.2 | -998.5 | ||||||||
| eV | -13590.554 | 0.877 | -13589.677 | -13601.895 | 1.001 | -13600.894 | 11.341 | -0.124 | 11.217 | 0.000 | 13601.895 |