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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 | -2645.9200575 | -2646.2965587 | 0.3765013 | 0.0000000 | 2646.2965587 | ||||||
| cm-1 | 437.6 | 346.3 | 91.2 | ||||||||
| eV | -71999.146 | 0.054 | -71999.092 | -72009.391 | 0.043 | -72009.349 | 10.245 | 0.011 | 10.256 | 0.000 | 72009.391 |