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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 | -639.1065244 | -639.4585170 | 0.3519927 | 0.0000000 | 639.4585170 | ||||||
| cm-1 | 236.0 | 265.9 | -29.9 | ||||||||
| eV | -17390.973 | 0.029 | -17390.944 | -17400.551 | 0.033 | -17400.518 | 9.578 | -0.004 | 9.574 | 0.000 | 17400.551 |