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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 | -488.3415257 | -488.7373173 | 0.3957916 | 0.0000000 | 488.7373173 | ||||||
| cm-1 | 1133.8 | 998.3 | 135.6 | ||||||||
| eV | -13288.449 | 0.141 | -13288.308 | -13299.219 | 0.124 | -13299.095 | 10.770 | 0.017 | 10.787 | 0.000 | 13299.219 |