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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 | -107.0050750 | -107.4071113 | 0.4020363 | 0.0000000 | 107.4071113 | ||||||
| cm-1 | 140.7 | 444.4 | -303.7 | ||||||||
| eV | -2911.756 | 0.017 | -2911.739 | -2922.696 | 0.055 | -2922.641 | 10.940 | -0.038 | 10.902 | 0.000 | 2922.696 |