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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 | -389.0477609 | -389.3168857 | 0.2691248 | 0.0000000 | 389.3168857 | ||||||
| cm-1 | 495.4 | 417.5 | 77.9 | ||||||||
| eV | -10586.528 | 0.061 | -10586.467 | -10593.851 | 0.052 | -10593.799 | 7.323 | 0.010 | 7.333 | 0.000 | 10593.851 |