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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 | -674.2961977 | -674.5151709 | 0.2189731 | 0.0000000 | 674.5151709 | ||||||
| cm-1 | 617.9 | 552.8 | 65.1 | ||||||||
| eV | -18348.533 | 0.077 | -18348.456 | -18354.491 | 0.069 | -18354.423 | 5.959 | 0.008 | 5.967 | 0.000 | 18354.491 |