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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 | -248.0714692 | -248.5680908 | 0.4966215 | 0.0000000 | 248.5680908 | ||||||
| cm-1 | 1315.3 | 1207.5 | 107.8 | ||||||||
| eV | -6750.368 | 0.163 | -6750.205 | -6763.882 | 0.150 | -6763.732 | 13.514 | 0.013 | 13.527 | 0.000 | 6763.882 |