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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 | -1402.6810569 | -1403.1382240 | 0.4571670 | 0.0000000 | 1403.1382240 | ||||||
| cm-1 | 1584.6 | 1468.5 | 116.1 | ||||||||
| eV | -38168.893 | 0.196 | -38168.696 | -38181.333 | 0.182 | -38181.151 | 12.440 | 0.014 | 12.455 | 0.000 | 38181.333 |