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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 | -15.9471809 | -16.2373905 | 0.2902096 | 0.0000000 | 16.2373905 | ||||||
| cm-1 | 5461.6 | 5669.8 | -208.1 | ||||||||
| eV | -433.945 | 0.677 | -433.268 | -441.842 | 0.703 | -441.139 | 7.897 | -0.026 | 7.871 | 0.000 | 441.842 |