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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 | -499.1101575 | -499.5303508 | 0.4201932 | 0.0000000 | 499.5303508 | ||||||
| cm-1 | 7743.6 | 8417.3 | -673.7 | ||||||||
| eV | -13581.478 | 0.960 | -13580.518 | -13592.912 | 1.044 | -13591.869 | 11.434 | -0.084 | 11.351 | 0.000 | 13592.912 |