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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 | -149.0034985 | -149.4880228 | 0.4845243 | 0.0000000 | 149.4880228 | ||||||
| cm-1 | 690.2 | 663.6 | 26.6 | ||||||||
| eV | -4054.591 | 0.086 | -4054.506 | -4067.776 | 0.082 | -4067.694 | 13.185 | 0.003 | 13.188 | 0.000 | 4067.776 |