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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 | -597.7561150 | -598.0654690 | 0.3093540 | 0.0000000 | 598.0654690 | ||||||
| cm-1 | 4559.0 | 4164.1 | 394.9 | ||||||||
| eV | -16265.771 | 0.565 | -16265.206 | -16274.189 | 0.516 | -16273.673 | 8.418 | 0.049 | 8.467 | 0.000 | 16274.189 |