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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 | -1193.7766188 | -1194.1211303 | 0.3445115 | 0.0000000 | 1194.1211303 | ||||||
| cm-1 | 676.3 | 732.6 | -56.4 | ||||||||
| eV | -32484.314 | 0.084 | -32484.230 | -32493.688 | 0.091 | -32493.598 | 9.375 | -0.007 | 9.368 | 0.000 | 32493.688 |