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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 | -388.3453247 | -388.6077168 | 0.2623921 | 0.0000000 | 388.6077168 | ||||||
| cm-1 | 488.8 | 394.4 | 94.3 | ||||||||
| eV | -10567.414 | 0.061 | -10567.353 | -10574.554 | 0.049 | -10574.505 | 7.140 | 0.012 | 7.152 | 0.000 | 10574.554 |