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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 | -343.4500624 | -343.6589431 | 0.2088807 | 0.0000000 | 343.6589431 | ||||||
| cm-1 | 7637.5 | 6435.3 | 1202.3 | ||||||||
| eV | -9345.751 | 0.947 | -9344.805 | -9351.435 | 0.798 | -9350.638 | 5.684 | 0.149 | 5.833 | 0.000 | 9351.435 |