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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 | -26.1313823 | -26.5683920 | 0.4370097 | 0.0000000 | 26.5683920 | ||||||
| cm-1 | 4510.8 | 5507.1 | -996.3 | ||||||||
| eV | -711.071 | 0.559 | -710.512 | -722.963 | 0.683 | -722.280 | 11.892 | -0.124 | 11.768 | 0.000 | 722.963 |