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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 | -289.3472760 | -289.6532437 | 0.3059677 | 0.0000000 | 289.6532437 | ||||||
| cm-1 | 4576.5 | 4361.5 | 214.9 | ||||||||
| eV | -7873.540 | 0.567 | -7872.972 | -7881.866 | 0.541 | -7881.325 | 8.326 | 0.027 | 8.352 | 0.000 | 7881.866 |