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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 | -670.4677162 | -670.6080505 | 0.1403343 | 0.0000000 | 670.6080505 | ||||||
| cm-1 | 60.2 | 185.6 | -125.4 | ||||||||
| eV | -18244.354 | 0.007 | -18244.347 | -18248.173 | 0.023 | -18248.150 | 3.819 | -0.016 | 3.803 | 0.000 | 18248.173 |