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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 | -115.3823746 | -115.7722496 | 0.3898750 | -115.3740048 | 0.3982448 | ||||||
| cm-1 | 9956.3 | 10829.9 | -873.5 | ||||||||
| eV | -3139.714 | 1.234 | -3138.480 | -3150.323 | 1.343 | -3148.980 | 10.609 | -0.108 | 10.501 | -3139.486 | 10.837 |