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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 | -75.2165382 | -75.6844105 | 0.4678723 | 0.0000000 | 75.6844105 | ||||||
| cm-1 | 1496.1 | 1807.6 | -311.5 | ||||||||
| eV | -2046.746 | 0.185 | -2046.561 | -2059.478 | 0.224 | -2059.253 | 12.731 | -0.039 | 12.693 | 0.000 | 2059.478 |