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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 | -499.0847806 | -499.4941115 | 0.4093309 | 0.0000000 | 499.4941115 | ||||||
| cm-1 | 7394.9 | 8034.8 | -639.8 | ||||||||
| eV | -13580.788 | 0.917 | -13579.871 | -13591.926 | 0.996 | -13590.930 | 11.138 | -0.079 | 11.059 | 0.000 | 13591.926 |