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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 | -324.1403241 | -324.3203344 | 0.1800102 | 0.0000000 | 324.3203344 | ||||||
| cm-1 | 57.4 | 80.7 | -23.3 | ||||||||
| eV | -8820.307 | 0.007 | -8820.300 | -8825.205 | 0.010 | -8825.195 | 4.898 | -0.003 | 4.895 | 0.000 | 8825.205 |