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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 | -621.1716870 | -621.4537101 | 0.2820231 | -621.1626785 | 0.2910316 | ||||||
| cm-1 | 65.7 | 162.0 | -96.2 | ||||||||
| eV | -16902.941 | 0.008 | -16902.933 | -16910.615 | 0.020 | -16910.595 | 7.674 | -0.012 | 7.662 | -16902.696 | 7.919 |