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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 | -77.5057485 | -77.8197894 | 0.3140409 | 0.0000000 | 77.8197894 | ||||||
| cm-1 | 7175.7 | 7755.2 | -579.5 | ||||||||
| eV | -2109.039 | 0.890 | -2108.149 | -2117.584 | 0.962 | -2116.623 | 8.545 | -0.072 | 8.474 | 0.000 | 2117.584 |