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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 | -48.9252850 | -49.3353870 | 0.4101020 | 0.0000000 | 49.3353870 | ||||||
| cm-1 | 766.2 | 650.5 | 115.7 | ||||||||
| eV | -1331.325 | 0.095 | -1331.230 | -1342.484 | 0.081 | -1342.404 | 11.159 | 0.014 | 11.174 | 0.000 | 1342.484 |