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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 | -237.9788086 | -238.2917430 | 0.3129344 | 0.0000000 | 238.2917430 | ||||||
| cm-1 | 4437.8 | 3995.8 | 442.0 | ||||||||
| eV | -6475.733 | 0.550 | -6475.182 | -6484.248 | 0.495 | -6483.753 | 8.515 | 0.055 | 8.570 | 0.000 | 6484.248 |