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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 | -26.1809647 | -26.6148687 | 0.4339040 | 0.0000000 | 26.6148687 | ||||||
| cm-1 | 4583.5 | 5607.3 | -1023.8 | ||||||||
| eV | -712.420 | 0.568 | -711.852 | -724.227 | 0.695 | -723.532 | 11.807 | -0.127 | 11.680 | 0.000 | 724.227 |