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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 | -397.8232917 | -398.1788744 | 0.3555827 | 0.0000000 | 398.1788744 | ||||||
| cm-1 | 1245.6 | 1281.1 | -35.5 | ||||||||
| eV | -10825.322 | 0.154 | -10825.168 | -10834.998 | 0.159 | -10834.839 | 9.676 | -0.004 | 9.671 | 0.000 | 10834.998 |