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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 | -470.7020788 | -471.0708773 | 0.3687985 | 0.0000000 | 471.0708773 | ||||||
| cm-1 | 590.1 | 489.4 | 100.7 | ||||||||
| eV | -12808.455 | 0.073 | -12808.382 | -12818.490 | 0.061 | -12818.430 | 10.036 | 0.012 | 10.048 | 0.000 | 12818.490 |