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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 | -2401.0123792 | -2401.3741411 | 0.3617619 | 0.0000000 | 2401.3741411 | ||||||
| cm-1 | 2895.4 | 2978.1 | -82.7 | ||||||||
| eV | -65334.870 | 0.359 | -65334.511 | -65344.714 | 0.369 | -65344.344 | 9.844 | -0.010 | 9.834 | 0.000 | 65344.714 |