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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 | -114.3053840 | -114.6468949 | 0.3415109 | 0.0000000 | 114.6468949 | ||||||
| cm-1 | 664.5 | 573.0 | 91.5 | ||||||||
| eV | -3110.408 | 0.082 | -3110.325 | -3119.701 | 0.071 | -3119.630 | 9.293 | 0.011 | 9.304 | 0.000 | 3119.701 |