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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 | -94.6206490 | -94.9093275 | 0.2886786 | 0.0000000 | 94.9093275 | ||||||
| cm-1 | 13217.0 | 13623.8 | -406.8 | ||||||||
| eV | -2574.759 | 1.639 | -2573.120 | -2582.614 | 1.689 | -2580.925 | 7.855 | -0.050 | 7.805 | 0.000 | 2582.614 |