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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 | -29.9369545 | -30.1891364 | 0.2521819 | 0.0000000 | 30.1891364 | ||||||
| cm-1 | 15039.5 | 14478.4 | 561.1 | ||||||||
| eV | -814.626 | 1.865 | -812.761 | -821.488 | 1.795 | -819.693 | 6.862 | 0.070 | 6.932 | 0.000 | 821.488 |