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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 | -200.2324083 | -200.4909425 | 0.2585342 | 0.0000000 | 200.4909425 | ||||||
| cm-1 | 797.7 | 687.3 | 110.4 | ||||||||
| eV | -5448.601 | 0.099 | -5448.502 | -5455.636 | 0.085 | -5455.551 | 7.035 | 0.014 | 7.049 | 0.000 | 5455.636 |