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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 | -115.0646667 | -115.4561568 | 0.3914902 | 0.0000000 | 115.4561568 | ||||||
| cm-1 | 10218.8 | 10982.9 | -764.1 | ||||||||
| eV | -3131.069 | 1.267 | -3129.802 | -3141.722 | 1.362 | -3140.360 | 10.653 | -0.095 | 10.558 | 0.000 | 3141.722 |