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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 | -397.7364443 | -398.0893385 | 0.3528942 | 0.0000000 | 398.0893385 | ||||||
| cm-1 | 1083.0 | 1123.6 | -40.6 | ||||||||
| eV | -10822.959 | 0.134 | -10822.825 | -10832.562 | 0.139 | -10832.422 | 9.603 | -0.005 | 9.598 | 0.000 | 10832.562 |