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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 | -77.5665637 | -77.8828009 | 0.3162373 | 0.0000000 | 77.8828009 | ||||||
| cm-1 | 7192.3 | 7687.1 | -494.8 | ||||||||
| eV | -2110.694 | 0.892 | -2109.802 | -2119.299 | 0.953 | -2118.346 | 8.605 | -0.061 | 8.544 | 0.000 | 2119.299 |