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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 | -131.0642294 | -131.3857156 | 0.3214862 | 0.0000000 | 131.3857156 | ||||||
| cm-1 | 8533.0 | 8675.3 | -142.3 | ||||||||
| eV | -3566.439 | 1.058 | -3565.381 | -3575.187 | 1.076 | -3574.112 | 8.748 | -0.018 | 8.730 | 0.000 | 3575.187 |