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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 | -499.5657073 | -499.9783978 | 0.4126905 | 0.0000000 | 499.9783978 | ||||||
| cm-1 | 7462.2 | 8340.4 | -878.2 | ||||||||
| eV | -13593.874 | 0.925 | -13592.949 | -13605.104 | 1.034 | -13604.070 | 11.230 | -0.109 | 11.121 | 0.000 | 13605.104 |