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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 | -499.7478906 | -500.1588037 | 0.4109132 | 0.0000000 | 500.1588037 | ||||||
| cm-1 | 6949.8 | 7951.5 | -1001.8 | ||||||||
| eV | -13598.832 | 0.862 | -13597.970 | -13610.013 | 0.986 | -13609.027 | 11.182 | -0.124 | 11.057 | 0.000 | 13610.013 |