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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 | -137.1075318 | -137.4246475 | 0.3171156 | -137.0922780 | 0.3323695 | ||||||
| cm-1 | 849.5 | 629.8 | 219.7 | ||||||||
| eV | -3730.886 | 0.105 | -3730.780 | -3739.515 | 0.078 | -3739.437 | 8.629 | 0.027 | 8.656 | -3730.471 | 9.044 |