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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 | -93.5063363 | -93.7450635 | 0.2387272 | 0.0000000 | 93.7450635 | ||||||
| cm-1 | 5807.2 | 5778.4 | 28.8 | ||||||||
| eV | -2544.437 | 0.720 | -2543.717 | -2550.933 | 0.716 | -2550.216 | 6.496 | 0.004 | 6.500 | 0.000 | 2550.933 |