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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 | -1416.7466024 | -1417.0280623 | 0.2814600 | 0.0000000 | 1417.0280623 | ||||||
| cm-1 | 1893.6 | 1586.8 | 306.9 | ||||||||
| eV | -38551.636 | 0.235 | -38551.401 | -38559.295 | 0.197 | -38559.098 | 7.659 | 0.038 | 7.697 | 0.000 | 38559.295 |