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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 | -131.3930922 | -131.7128590 | 0.3197668 | 0.0000000 | 131.7128590 | ||||||
| cm-1 | 8289.5 | 8422.6 | -133.1 | ||||||||
| eV | -3575.388 | 1.028 | -3574.360 | -3584.089 | 1.044 | -3583.045 | 8.701 | -0.016 | 8.685 | 0.000 | 3584.089 |