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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 | -8.5125462 | -8.9205628 | 0.4080167 | 0.0000000 | 8.9205628 | ||||||
| cm-1 | 11826.7 | 13130.6 | -1303.9 | ||||||||
| eV | -231.638 | 1.466 | -230.172 | -242.741 | 1.628 | -241.113 | 11.103 | -0.162 | 10.941 | 0.000 | 242.741 |