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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 | -75.2867652 | -75.7723062 | 0.4855410 | 0.0000000 | 75.7723062 | ||||||
| cm-1 | 1471.4 | 1793.8 | -322.4 | ||||||||
| eV | -2048.657 | 0.182 | -2048.475 | -2061.869 | 0.222 | -2061.647 | 13.212 | -0.040 | 13.172 | 0.000 | 2061.869 |