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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 | -588.8439223 | -589.1975781 | 0.3536558 | 0.0000000 | 589.1975781 | ||||||
| cm-1 | 1918.9 | 1663.1 | 255.8 | ||||||||
| eV | -16023.258 | 0.238 | -16023.020 | -16032.881 | 0.206 | -16032.675 | 9.623 | 0.032 | 9.655 | 0.000 | 16032.881 |