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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 | -630.0966152 | -630.4222432 | 0.3256280 | 0.0000000 | 630.4222432 | ||||||
| cm-1 | 231.4 | 291.1 | -59.7 | ||||||||
| eV | -17145.801 | 0.029 | -17145.772 | -17154.662 | 0.036 | -17154.626 | 8.861 | -0.007 | 8.853 | 0.000 | 17154.662 |