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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 | -29.2302366 | -29.4740643 | 0.2438277 | 0.0000000 | 29.4740643 | ||||||
| cm-1 | 14556.1 | 14006.9 | 549.1 | ||||||||
| eV | -795.395 | 1.805 | -793.590 | -802.030 | 1.737 | -800.293 | 6.635 | 0.068 | 6.703 | 0.000 | 802.030 |