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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 | -48.8098003 | -49.1393871 | 0.3295868 | 0.0000000 | 49.1393871 | ||||||
| cm-1 | 164.1 | 472.3 | -308.3 | ||||||||
| eV | -1328.182 | 0.020 | -1328.162 | -1337.151 | 0.059 | -1337.092 | 8.969 | -0.038 | 8.930 | 0.000 | 1337.151 |