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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 | -128.6250952 | -129.0437052 | 0.4186100 | 0.0000000 | 129.0437052 | ||||||
| cm-1 | 1385.9 | 3.4 | 1382.5 | ||||||||
| eV | -3500.067 | 0.172 | -3499.895 | -3511.458 | 0.000 | -3511.457 | 11.391 | 0.171 | 11.562 | 0.000 | 3511.458 |