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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 | -187.9044696 | -188.1845996 | 0.2801300 | 0.0000000 | 188.1845996 | ||||||
| cm-1 | 4663.0 | 4575.3 | 87.6 | ||||||||
| eV | -5113.141 | 0.578 | -5112.563 | -5120.763 | 0.567 | -5120.196 | 7.623 | 0.011 | 7.634 | 0.000 | 5120.763 |