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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 | -2022.3829116 | -2022.7537430 | 0.3708314 | 0.0000000 | 2022.7537430 | ||||||
| cm-1 | 306.2 | 305.8 | 0.3 | ||||||||
| eV | -55031.838 | 0.038 | -55031.800 | -55041.929 | 0.038 | -55041.891 | 10.091 | 0.000 | 10.091 | 0.000 | 55041.929 |