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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 | -389.0851957 | -389.3592634 | 0.2740677 | 0.0000000 | 389.3592634 | ||||||
| cm-1 | 483.7 | 399.8 | 83.9 | ||||||||
| eV | -10587.547 | 0.060 | -10587.487 | -10595.004 | 0.050 | -10594.955 | 7.458 | 0.010 | 7.468 | 0.000 | 10595.004 |