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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 | -276.0166661 | -276.3405661 | 0.3239000 | 0.0000000 | 276.3405661 | ||||||
| cm-1 | 2485.2 | 2310.4 | 174.8 | ||||||||
| eV | -7510.795 | 0.308 | -7510.487 | -7519.609 | 0.286 | -7519.323 | 8.814 | 0.022 | 8.835 | 0.000 | 7519.609 |