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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 | -343.4820773 | -343.6867932 | 0.2047159 | 0.0000000 | 343.6867932 | ||||||
| cm-1 | 7426.0 | 6337.3 | 1088.7 | ||||||||
| eV | -9346.623 | 0.921 | -9345.702 | -9352.193 | 0.786 | -9351.408 | 5.571 | 0.135 | 5.706 | 0.000 | 9352.193 |