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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 | -38.7567535 | -39.1401986 | 0.3834451 | 0.0000000 | 39.1401986 | ||||||
| cm-1 | 3465.3 | 3667.2 | -201.9 | ||||||||
| eV | -1054.625 | 0.430 | -1054.195 | -1065.059 | 0.455 | -1064.604 | 10.434 | -0.025 | 10.409 | 0.000 | 1065.059 |