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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 | -75.2469201 | -75.7249667 | 0.4780466 | 0.0000000 | 75.7249667 | ||||||
| cm-1 | 1486.2 | 1806.8 | -320.7 | ||||||||
| eV | -2047.573 | 0.184 | -2047.389 | -2060.581 | 0.224 | -2060.357 | 13.008 | -0.040 | 12.969 | 0.000 | 2060.581 |