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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 | -379.5981385 | -379.9840799 | 0.3859414 | 0.0000000 | 379.9840799 | ||||||
| cm-1 | 2826.2 | 3003.5 | -177.3 | ||||||||
| eV | -10329.391 | 0.350 | -10329.040 | -10339.893 | 0.372 | -10339.520 | 10.502 | -0.022 | 10.480 | 0.000 | 10339.893 |