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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 | -655.8318818 | -656.1090280 | 0.2771462 | 0.0000000 | 656.1090280 | ||||||
| cm-1 | 266.0 | 227.4 | 38.6 | ||||||||
| eV | -17846.093 | 0.033 | -17846.060 | -17853.635 | 0.028 | -17853.606 | 7.542 | 0.005 | 7.546 | 0.000 | 17853.635 |