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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 | -195.5333252 | -195.9816246 | 0.4482994 | 0.0000000 | 195.9816246 | ||||||
| cm-1 | 736.1 | 684.7 | 51.4 | ||||||||
| eV | -5320.732 | 0.091 | -5320.641 | -5332.931 | 0.085 | -5332.846 | 12.199 | 0.006 | 12.205 | 0.000 | 5332.931 |