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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 | -48.8210168 | -49.0947000 | 0.2736832 | 0.0000000 | 49.0947000 | ||||||
| cm-1 | 182.6 | 469.1 | -286.6 | ||||||||
| eV | -1328.487 | 0.023 | -1328.465 | -1335.935 | 0.058 | -1335.877 | 7.447 | -0.036 | 7.412 | 0.000 | 1335.935 |