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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 | -388.8083553 | -389.0870934 | 0.2787381 | 0.0000000 | 389.0870934 | ||||||
| cm-1 | 471.8 | 403.3 | 68.5 | ||||||||
| eV | -10580.013 | 0.058 | -10579.955 | -10587.598 | 0.050 | -10587.548 | 7.585 | 0.008 | 7.593 | 0.000 | 10587.598 |