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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 | -2660.3995717 | -2660.6708500 | 0.2712783 | 0.0000000 | 2660.6708500 | ||||||
| cm-1 | 233.5 | 300.2 | -66.7 | ||||||||
| eV | -72393.154 | 0.029 | -72393.125 | -72400.536 | 0.037 | -72400.499 | 7.382 | -0.008 | 7.374 | 0.000 | 72400.536 |