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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 | -95.5179530 | -95.8370473 | 0.3190943 | 0.0000000 | 95.8370473 | ||||||
| cm-1 | 12994.4 | 13545.5 | -551.1 | ||||||||
| eV | -2599.176 | 1.611 | -2597.565 | -2607.859 | 1.679 | -2606.179 | 8.683 | -0.068 | 8.615 | 0.000 | 2607.859 |