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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 | -198.9085421 | -199.4834405 | 0.5748984 | 0.0000000 | 199.4834405 | ||||||
| cm-1 | 604.9 | 508.9 | 96.0 | ||||||||
| eV | -5412.577 | 0.075 | -5412.502 | -5428.220 | 0.063 | -5428.157 | 15.644 | 0.012 | 15.656 | 0.000 | 5428.220 |