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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 | -93.7148382 | -93.9847490 | 0.2699107 | 0.0000000 | 93.9847490 | ||||||
| cm-1 | 5878.6 | 5464.3 | 414.3 | ||||||||
| eV | -2550.110 | 0.729 | -2549.382 | -2557.455 | 0.677 | -2556.778 | 7.345 | 0.051 | 7.396 | 0.000 | 2557.455 |