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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 | -189.1571924 | -189.5059641 | 0.3487717 | 0.0000000 | 189.5059641 | ||||||
| cm-1 | 6638.6 | 6657.6 | -18.9 | ||||||||
| eV | -5147.229 | 0.823 | -5146.406 | -5156.720 | 0.825 | -5155.894 | 9.491 | -0.002 | 9.488 | 0.000 | 5156.720 |