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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 | -499.5958568 | -500.0178955 | 0.4220387 | 0.0000000 | 500.0178955 | ||||||
| cm-1 | 9169.2 | 8473.6 | 695.7 | ||||||||
| eV | -13594.695 | 1.137 | -13593.558 | -13606.179 | 1.051 | -13605.128 | 11.484 | 0.086 | 11.571 | 0.000 | 13606.179 |