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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 | -2389.3597654 | -2389.6927325 | 0.3329671 | 0.0000000 | 2389.6927325 | ||||||
| cm-1 | 2478.6 | 2559.2 | -80.6 | ||||||||
| eV | -65017.786 | 0.307 | -65017.478 | -65026.846 | 0.317 | -65026.529 | 9.060 | -0.010 | 9.051 | 0.000 | 65026.846 |