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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 | -2862.7594040 | -2863.0239845 | 0.2645804 | 0.0000000 | 2863.0239845 | ||||||
| cm-1 | 260.9 | 202.0 | 59.0 | ||||||||
| eV | -77899.645 | 0.032 | -77899.613 | -77906.845 | 0.025 | -77906.820 | 7.200 | 0.007 | 7.207 | 0.000 | 77906.845 |