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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 | -387.6722330 | -387.9558435 | 0.2836104 | 0.0000000 | 387.9558435 | ||||||
| cm-1 | 499.4 | 430.2 | 69.2 | ||||||||
| eV | -10549.098 | 0.062 | -10549.036 | -10556.815 | 0.053 | -10556.762 | 7.717 | 0.009 | 7.726 | 0.000 | 10556.815 |