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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 | -163.2980020 | -163.6914403 | 0.3934383 | 0.0000000 | 163.6914403 | ||||||
| cm-1 | 1534.0 | 2231.0 | -697.1 | ||||||||
| eV | -4443.565 | 0.190 | -4443.374 | -4454.271 | 0.277 | -4453.994 | 10.706 | -0.086 | 10.620 | 0.000 | 4454.271 |