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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 | -39.2381621 | -39.5671169 | 0.3289547 | 0.0000000 | 39.5671169 | ||||||
| cm-1 | 6632.8 | 6084.2 | 548.6 | ||||||||
| eV | -1067.725 | 0.822 | -1066.902 | -1076.676 | 0.754 | -1075.922 | 8.951 | 0.068 | 9.019 | 0.000 | 1076.676 |