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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 | -287.6347201 | -287.8553293 | 0.2206091 | 0.0000000 | 287.8553293 | ||||||
| cm-1 | 4783.6 | 4972.4 | -188.8 | ||||||||
| eV | -7826.939 | 0.593 | -7826.346 | -7832.942 | 0.616 | -7832.325 | 6.003 | -0.023 | 5.980 | 0.000 | 7832.942 |