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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 | -118.1724874 | -117.8804287 | -0.2920588 | 0.0000000 | 117.8804287 | ||||||
| cm-1 | 18446.5 | 16677.2 | 1769.3 | ||||||||
| eV | -3215.637 | 2.287 | -3213.350 | -3207.690 | 2.068 | -3205.622 | -7.947 | 0.219 | -7.728 | 0.000 | 3207.690 |