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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 | -2580.2903092 | -2580.6252875 | 0.3349783 | 0.0000000 | 2580.6252875 | ||||||
| cm-1 | 140.2 | 260.4 | -120.1 | ||||||||
| eV | -70213.270 | 0.017 | -70213.253 | -70222.385 | 0.032 | -70222.353 | 9.115 | -0.015 | 9.100 | 0.000 | 70222.385 |