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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 | -258.4672836 | -258.5801365 | 0.1128528 | 0.0000000 | 258.5801365 | ||||||
| cm-1 | 228.1 | 381.8 | -153.7 | ||||||||
| eV | -7033.252 | 0.028 | -7033.224 | -7036.323 | 0.047 | -7036.276 | 3.071 | -0.019 | 3.052 | 0.000 | 7036.323 |