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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 | -92.9183392 | -93.4160987 | 0.4977594 | 0.0000000 | 93.4160987 | ||||||
| cm-1 | 3035.9 | 3478.5 | -442.6 | ||||||||
| eV | -2528.437 | 0.376 | -2528.060 | -2541.981 | 0.431 | -2541.550 | 13.545 | -0.055 | 13.490 | 0.000 | 2541.981 |