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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 | -113.8390447 | -114.2278810 | 0.3888363 | 0.0000000 | 114.2278810 | ||||||
| cm-1 | 5264.1 | 5680.0 | -415.9 | ||||||||
| eV | -3097.718 | 0.653 | -3097.065 | -3108.299 | 0.704 | -3107.594 | 10.581 | -0.052 | 10.529 | 0.000 | 3108.299 |