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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 | -289.4541072 | -289.7529349 | 0.2988277 | 0.0000000 | 289.7529349 | ||||||
| cm-1 | 4668.8 | 4548.2 | 120.6 | ||||||||
| eV | -7876.447 | 0.579 | -7875.868 | -7884.578 | 0.564 | -7884.014 | 8.132 | 0.015 | 8.146 | 0.000 | 7884.578 |