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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 | -200.3793868 | -200.6336689 | 0.2542821 | 0.0000000 | 200.6336689 | ||||||
| cm-1 | 815.7 | 705.6 | 110.1 | ||||||||
| eV | -5452.600 | 0.101 | -5452.499 | -5459.520 | 0.087 | -5459.432 | 6.919 | 0.014 | 6.933 | 0.000 | 5459.520 |