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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 | -113.7901863 | -114.1910157 | 0.4008295 | 0.0000000 | 114.1910157 | ||||||
| cm-1 | 5203.4 | 5623.9 | -420.6 | ||||||||
| eV | -3096.388 | 0.645 | -3095.743 | -3107.296 | 0.697 | -3106.598 | 10.907 | -0.052 | 10.855 | 0.000 | 3107.296 |