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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 | -312.5756911 | -313.0268394 | 0.4511484 | 0.0000000 | 313.0268394 | ||||||
| cm-1 | 2870.1 | 2986.0 | -116.0 | ||||||||
| eV | -8505.617 | 0.356 | -8505.261 | -8517.893 | 0.370 | -8517.523 | 12.276 | -0.014 | 12.262 | 0.000 | 8517.893 |