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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 | -153.3630683 | -153.7439073 | 0.3808390 | 0.0000000 | 153.7439073 | ||||||
| cm-1 | 11391.3 | 12134.5 | -743.2 | ||||||||
| eV | -4173.221 | 1.412 | -4171.809 | -4183.584 | 1.504 | -4182.080 | 10.363 | -0.092 | 10.271 | 0.000 | 4183.584 |