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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 | -77.7567072 | -78.1355177 | 0.3788106 | 0.0000000 | 78.1355177 | ||||||
| cm-1 | 10295.4 | 10837.2 | -541.8 | ||||||||
| eV | -2115.868 | 1.276 | -2114.591 | -2126.176 | 1.344 | -2124.832 | 10.308 | -0.067 | 10.241 | 0.000 | 2126.176 |