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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 | -597.6821543 | -597.9901421 | 0.3079877 | 0.0000000 | 597.9901421 | ||||||
| cm-1 | 4078.8 | 3702.6 | 376.2 | ||||||||
| eV | -16263.759 | 0.506 | -16263.253 | -16272.139 | 0.459 | -16271.680 | 8.381 | 0.047 | 8.427 | 0.000 | 16272.139 |