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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 | -152.6156885 | -152.9785491 | 0.3628606 | 0.0000000 | 152.9785491 | ||||||
| cm-1 | 11281.6 | 11844.4 | -562.8 | ||||||||
| eV | -4152.884 | 1.399 | -4151.485 | -4162.758 | 1.469 | -4161.290 | 9.874 | -0.070 | 9.804 | 0.000 | 4162.758 |