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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 | -2236.9420582 | -2237.2955886 | 0.3535304 | 0.0000000 | 2237.2955886 | ||||||
| cm-1 | 4757.6 | 4814.2 | -56.6 | ||||||||
| eV | -60870.289 | 0.590 | -60869.699 | -60879.909 | 0.597 | -60879.312 | 9.620 | -0.007 | 9.613 | 0.000 | 60879.909 |