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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 | -261.1647892 | -261.4825119 | 0.3177227 | 0.0000000 | 261.4825119 | ||||||
| cm-1 | 82.6 | 271.8 | -189.2 | ||||||||
| eV | -7106.655 | 0.010 | -7106.645 | -7115.301 | 0.034 | -7115.267 | 8.646 | -0.023 | 8.622 | 0.000 | 7115.301 |