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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 | -919.9107171 | -920.3225662 | 0.4118491 | 0.0000000 | 920.3225662 | ||||||
| cm-1 | 275.3 | 235.0 | 40.3 | ||||||||
| eV | -25032.044 | 0.034 | -25032.010 | -25043.251 | 0.029 | -25043.221 | 11.207 | 0.005 | 11.212 | 0.000 | 25043.251 |