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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 | -7.7390766 | -8.0136170 | 0.2745404 | 0.0000000 | 8.0136170 | ||||||
| cm-1 | 197.1 | 669.7 | -472.6 | ||||||||
| eV | -210.591 | 0.024 | -210.567 | -218.062 | 0.083 | -217.979 | 7.471 | -0.059 | 7.412 | 0.000 | 218.062 |