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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 | -2560.2285438 | -2560.6207807 | 0.3922369 | 0.0000000 | 2560.6207807 | ||||||
| cm-1 | 1015.7 | 1122.2 | -106.5 | ||||||||
| eV | -69667.362 | 0.126 | -69667.236 | -69678.035 | 0.139 | -69677.896 | 10.673 | -0.013 | 10.660 | 0.000 | 69678.035 |