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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 | -2797.0996564 | -2797.4431908 | 0.3435343 | 0.0000000 | 2797.4431908 | ||||||
| cm-1 | 302.1 | 264.2 | 37.9 | ||||||||
| eV | -76112.952 | 0.037 | -76112.915 | -76122.300 | 0.033 | -76122.268 | 9.348 | 0.005 | 9.353 | 0.000 | 76122.300 |