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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 | -14.4083102 | -15.0122266 | 0.6039164 | 0.0000000 | 15.0122266 | ||||||
| cm-1 | 891.2 | 739.2 | 152.0 | ||||||||
| eV | -392.070 | 0.110 | -391.960 | -408.503 | 0.092 | -408.412 | 16.433 | 0.019 | 16.452 | 0.000 | 408.503 |