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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 | -75.1810771 | -75.6500829 | 0.4690057 | 0.0000000 | 75.6500829 | ||||||
| cm-1 | 1477.2 | 1765.9 | -288.7 | ||||||||
| eV | -2045.781 | 0.183 | -2045.598 | -2058.543 | 0.219 | -2058.325 | 12.762 | -0.036 | 12.727 | 0.000 | 2058.543 |