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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 | -94.2086637 | -94.5579755 | 0.3493117 | 0.0000000 | 94.5579755 | ||||||
| cm-1 | 8203.2 | 8899.5 | -696.3 | ||||||||
| eV | -2563.548 | 1.017 | -2562.531 | -2573.053 | 1.103 | -2571.950 | 9.505 | -0.086 | 9.419 | 0.000 | 2573.053 |