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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 | -26.0540045 | -26.4891068 | 0.4351024 | 0.0000000 | 26.4891068 | ||||||
| cm-1 | 4570.2 | 5668.7 | -1098.5 | ||||||||
| eV | -708.966 | 0.567 | -708.399 | -720.805 | 0.703 | -720.102 | 11.840 | -0.136 | 11.704 | 0.000 | 720.805 |