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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 | -212.8149806 | -213.2605452 | 0.4455646 | 0.0000000 | 213.2605452 | ||||||
| cm-1 | 4273.6 | 4406.2 | -132.5 | ||||||||
| eV | -5790.990 | 0.530 | -5790.460 | -5803.115 | 0.546 | -5802.568 | 12.124 | -0.016 | 12.108 | 0.000 | 5803.115 |