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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 | -200.3596073 | -200.6134559 | 0.2538486 | 0.0000000 | 200.6134559 | ||||||
| cm-1 | 826.5 | 710.9 | 115.6 | ||||||||
| eV | -5452.062 | 0.102 | -5451.960 | -5458.970 | 0.088 | -5458.882 | 6.908 | 0.014 | 6.922 | 0.000 | 5458.970 |