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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 | -598.1034556 | -598.4070828 | 0.3036272 | 0.0000000 | 598.4070828 | ||||||
| cm-1 | 4078.6 | 3705.1 | 373.6 | ||||||||
| eV | -16275.223 | 0.506 | -16274.717 | -16283.485 | 0.459 | -16283.025 | 8.262 | 0.046 | 8.308 | 0.000 | 16283.485 |