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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 | -110.5216653 | -110.7673570 | 0.2456916 | 0.0000000 | 110.7673570 | ||||||
| cm-1 | 10931.5 | 11114.2 | -182.7 | ||||||||
| eV | -3007.447 | 1.355 | -3006.092 | -3014.133 | 1.378 | -3012.755 | 6.686 | -0.023 | 6.663 | 0.000 | 3014.133 |