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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 | -204.7441708 | -205.0844078 | 0.3402370 | 0.0000000 | 205.0844078 | ||||||
| cm-1 | 2435.5 | 1799.1 | 636.5 | ||||||||
| eV | -5571.372 | 0.302 | -5571.070 | -5580.631 | 0.223 | -5580.407 | 9.258 | 0.079 | 9.337 | 0.000 | 5580.631 |