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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 | -585.6169580 | -585.9621972 | 0.3452391 | 0.0000000 | 585.9621972 | ||||||
| cm-1 | 1907.8 | 1766.5 | 141.3 | ||||||||
| eV | -15935.448 | 0.237 | -15935.211 | -15944.842 | 0.219 | -15944.623 | 9.394 | 0.018 | 9.412 | 0.000 | 15944.842 |