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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 | -324.0591110 | -324.2414760 | 0.1823650 | 0.0000000 | 324.2414760 | ||||||
| cm-1 | 60.5 | 78.7 | -18.2 | ||||||||
| eV | -8818.097 | 0.008 | -8818.089 | -8823.059 | 0.010 | -8823.050 | 4.962 | -0.002 | 4.960 | 0.000 | 8823.059 |