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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 | -114.0431225 | -114.4362645 | 0.3931420 | 0.0000000 | 114.4362645 | ||||||
| cm-1 | 5322.7 | 5890.6 | -567.9 | ||||||||
| eV | -3103.271 | 0.660 | -3102.611 | -3113.969 | 0.730 | -3113.239 | 10.698 | -0.070 | 10.628 | 0.000 | 3113.969 |