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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 | -114.1449501 | -114.4144533 | 0.2695031 | 0.0000000 | 114.4144533 | ||||||
| cm-1 | 8372.6 | 7700.9 | 671.7 | ||||||||
| eV | -3106.042 | 1.038 | -3105.004 | -3113.376 | 0.955 | -3112.421 | 7.334 | 0.083 | 7.417 | 0.000 | 3113.376 |