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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 | -106.9942012 | -107.3946867 | 0.4004855 | 0.0000000 | 107.3946867 | ||||||
| cm-1 | 122.2 | 422.5 | -300.3 | ||||||||
| eV | -2911.460 | 0.015 | -2911.445 | -2922.358 | 0.052 | -2922.306 | 10.898 | -0.037 | 10.861 | 0.000 | 2922.358 |