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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 | -153.0033371 | -153.3737670 | 0.3704299 | 0.0000000 | 153.3737670 | ||||||
| cm-1 | 12162.0 | 12737.8 | -575.8 | ||||||||
| eV | -4163.433 | 1.508 | -4161.925 | -4173.512 | 1.579 | -4171.933 | 10.080 | -0.071 | 10.009 | 0.000 | 4173.512 |