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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 | -2150.4725701 | -2150.8988354 | 0.4262654 | 0.0000000 | 2150.8988354 | ||||||
| cm-1 | 393.5 | 446.0 | -52.5 | ||||||||
| eV | -58517.335 | 0.049 | -58517.286 | -58528.934 | 0.055 | -58528.879 | 11.599 | -0.007 | 11.593 | 0.000 | 58528.934 |