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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 | -78.0029734 | -78.3755726 | 0.3725992 | 0.0000000 | 78.3755726 | ||||||
| cm-1 | 10285.0 | 10645.9 | -360.9 | ||||||||
| eV | -2122.569 | 1.275 | -2121.294 | -2132.708 | 1.320 | -2131.388 | 10.139 | -0.045 | 10.094 | 0.000 | 2132.708 |