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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 | -499.0061303 | -499.4075597 | 0.4014294 | 0.0000000 | 499.4075597 | ||||||
| cm-1 | 7425.1 | 8052.9 | -627.8 | ||||||||
| eV | -13578.647 | 0.921 | -13577.727 | -13589.571 | 0.998 | -13588.572 | 10.923 | -0.078 | 10.846 | 0.000 | 13589.571 |