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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 | -75.4684715 | -75.8925675 | 0.4240960 | 0.0000000 | 75.8925675 | ||||||
| cm-1 | 3670.6 | 4245.5 | -574.9 | ||||||||
| eV | -2053.602 | 0.455 | -2053.146 | -2065.142 | 0.526 | -2064.615 | 11.540 | -0.071 | 11.469 | 0.000 | 2065.142 |