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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 | -116.8060802 | -116.4605546 | -0.3455256 | 0.0000000 | 116.4605546 | ||||||
| cm-1 | 18451.6 | 16976.9 | 1474.7 | ||||||||
| eV | -3178.455 | 2.288 | -3176.167 | -3169.053 | 2.105 | -3166.948 | -9.402 | 0.183 | -9.219 | 0.000 | 3169.053 |