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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 | -2861.4300984 | -2861.6920333 | 0.2619349 | 0.0000000 | 2861.6920333 | ||||||
| cm-1 | 275.1 | 216.3 | 58.8 | ||||||||
| eV | -77863.473 | 0.034 | -77863.439 | -77870.600 | 0.027 | -77870.574 | 7.128 | 0.007 | 7.135 | 0.000 | 77870.600 |