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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 | -131.7146301 | -132.0721301 | 0.3575000 | 0.0000000 | 132.0721301 | ||||||
| cm-1 | 9330.5 | 9463.0 | -132.6 | ||||||||
| eV | -3584.137 | 1.157 | -3582.981 | -3593.865 | 1.173 | -3592.692 | 9.728 | -0.016 | 9.712 | 0.000 | 3593.865 |