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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 | -760.0609248 | -760.2484117 | 0.1874869 | 0.0000000 | 760.2484117 | ||||||
| cm-1 | 42.6 | 63.5 | -20.9 | ||||||||
| eV | -20682.310 | 0.005 | -20682.304 | -20687.411 | 0.008 | -20687.403 | 5.102 | -0.003 | 5.099 | 0.000 | 20687.411 |