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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 | -388.4156485 | -388.6717757 | 0.2561272 | 0.0000000 | 388.6717757 | ||||||
| cm-1 | 496.7 | 408.8 | 87.9 | ||||||||
| eV | -10569.327 | 0.062 | -10569.266 | -10576.297 | 0.051 | -10576.246 | 6.970 | 0.011 | 6.980 | 0.000 | 10576.297 |