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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 | -75.2941875 | -75.7665973 | 0.4724097 | 0.0000000 | 75.7665973 | ||||||
| cm-1 | 1542.5 | 1839.3 | -296.8 | ||||||||
| eV | -2048.859 | 0.191 | -2048.668 | -2061.714 | 0.228 | -2061.486 | 12.855 | -0.037 | 12.818 | 0.000 | 2061.714 |