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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 | -394.8971660 | -394.9011341 | 0.0039681 | 0.0000000 | 394.9011341 | ||||||
| cm-1 | 188.3 | 143.1 | 45.3 | ||||||||
| eV | -10745.698 | 0.023 | -10745.675 | -10745.806 | 0.018 | -10745.789 | 0.108 | 0.006 | 0.114 | 0.000 | 10745.806 |