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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 | -147.7501735 | -148.1125936 | 0.3624202 | 0.0000000 | 148.1125936 | ||||||
| cm-1 | 675.3 | 789.3 | -114.0 | ||||||||
| eV | -4020.487 | 0.084 | -4020.403 | -4030.349 | 0.098 | -4030.251 | 9.862 | -0.014 | 9.848 | 0.000 | 4030.349 |