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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 | -597.6172777 | -597.9066921 | 0.2894144 | 0.0000000 | 597.9066921 | ||||||
| cm-1 | 201.0 | 243.8 | -42.8 | ||||||||
| eV | -16261.993 | 0.025 | -16261.968 | -16269.869 | 0.030 | -16269.838 | 7.875 | -0.005 | 7.870 | 0.000 | 16269.869 |