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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 | -198.6193066 | -199.1909095 | 0.5716028 | 0.0000000 | 199.1909095 | ||||||
| cm-1 | 590.3 | 470.5 | 119.8 | ||||||||
| eV | -5404.706 | 0.073 | -5404.633 | -5420.260 | 0.058 | -5420.202 | 15.554 | 0.015 | 15.569 | 0.000 | 5420.260 |