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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 | -702.3683689 | -702.7079976 | 0.3396287 | 0.0000000 | 702.7079976 | ||||||
| cm-1 | 262.2 | 216.5 | 45.7 | ||||||||
| eV | -19112.415 | 0.033 | -19112.383 | -19121.657 | 0.027 | -19121.630 | 9.242 | 0.006 | 9.247 | 0.000 | 19121.657 |