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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 | -56.2128688 | -56.5888580 | 0.3759892 | 0.0000000 | 56.5888580 | ||||||
| cm-1 | 6916.2 | 7255.6 | -339.4 | ||||||||
| eV | -1529.630 | 0.858 | -1528.772 | -1539.861 | 0.900 | -1538.962 | 10.231 | -0.042 | 10.189 | 0.000 | 1539.861 |