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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 | -150.4117494 | -150.7647869 | 0.3530374 | -150.3602856 | 0.4045013 | ||||||
| cm-1 | 5903.3 | 5777.3 | 126.0 | ||||||||
| eV | -4092.912 | 0.732 | -4092.180 | -4102.518 | 0.716 | -4101.802 | 9.607 | 0.016 | 9.622 | -4091.511 | 11.007 |