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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 | -113.3557257 | -113.6437956 | 0.2880699 | 0.0000000 | 113.6437956 | ||||||
| cm-1 | 2893.6 | 2899.7 | -6.1 | ||||||||
| eV | -3084.566 | 0.359 | -3084.207 | -3092.405 | 0.360 | -3092.045 | 7.839 | -0.001 | 7.838 | 0.000 | 3092.405 |