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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 | -316.3365086 | -316.7221778 | 0.3856692 | 0.0000000 | 316.7221778 | ||||||
| cm-1 | 363.3 | 365.3 | -1.9 | ||||||||
| eV | -8607.954 | 0.045 | -8607.909 | -8618.449 | 0.045 | -8618.403 | 10.495 | -0.000 | 10.494 | 0.000 | 8618.449 |