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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 | -26.0383395 | -26.4720951 | 0.4337555 | 0.0000000 | 26.4720951 | ||||||
| cm-1 | 4499.0 | 5528.0 | -1029.0 | ||||||||
| eV | -708.539 | 0.558 | -707.981 | -720.342 | 0.685 | -719.657 | 11.803 | -0.128 | 11.676 | 0.000 | 720.342 |