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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 | -153.1506030 | -153.5031057 | 0.3525027 | 0.0000000 | 153.5031057 | ||||||
| cm-1 | 7944.1 | 8031.5 | -87.4 | ||||||||
| eV | -4167.440 | 0.985 | -4166.455 | -4177.032 | 0.996 | -4176.036 | 9.592 | -0.011 | 9.581 | 0.000 | 4177.032 |