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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 | -118.1350772 | -117.8295722 | -0.3055050 | 0.0000000 | 117.8295722 | ||||||
| cm-1 | 18760.4 | 16942.6 | 1817.8 | ||||||||
| eV | -3214.619 | 2.326 | -3212.293 | -3206.306 | 2.101 | -3204.205 | -8.313 | 0.225 | -8.088 | 0.000 | 3206.306 |