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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 | -118.1918950 | -117.8854540 | -0.3064410 | 0.0000000 | 117.8854540 | ||||||
| cm-1 | 18522.1 | 16784.9 | 1737.2 | ||||||||
| eV | -3216.165 | 2.296 | -3213.869 | -3207.826 | 2.081 | -3205.745 | -8.339 | 0.215 | -8.123 | 0.000 | 3207.826 |