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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 | -435.8195855 | -436.2342107 | 0.4146253 | 0.0000000 | 436.2342107 | ||||||
| cm-1 | 670.2 | 620.8 | 49.4 | ||||||||
| eV | -11859.254 | 0.083 | -11859.171 | -11870.537 | 0.077 | -11870.460 | 11.283 | 0.006 | 11.289 | 0.000 | 11870.537 |