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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 | -77.2863755 | -77.6224335 | 0.3360580 | 0.0000000 | 77.6224335 | ||||||
| cm-1 | 9863.6 | 10801.2 | -937.6 | ||||||||
| eV | -2103.069 | 1.223 | -2101.846 | -2112.214 | 1.339 | -2110.875 | 9.145 | -0.116 | 9.028 | 0.000 | 2112.214 |