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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 | -15.4700080 | -15.8885962 | 0.4185883 | 0.0000000 | 15.8885962 | ||||||
| cm-1 | 1766.9 | 2786.8 | -1019.9 | ||||||||
| eV | -420.960 | 0.219 | -420.741 | -432.351 | 0.346 | -432.005 | 11.390 | -0.126 | 11.264 | 0.000 | 432.351 |