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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 | -702.3421353 | -702.6839708 | 0.3418354 | 0.0000000 | 702.6839708 | ||||||
| cm-1 | 294.4 | 222.7 | 71.7 | ||||||||
| eV | -19111.701 | 0.037 | -19111.665 | -19121.003 | 0.028 | -19120.976 | 9.302 | 0.009 | 9.311 | 0.000 | 19121.003 |