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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 | -834.1648418 | -834.5381524 | 0.3733106 | 0.0000000 | 834.5381524 | ||||||
| cm-1 | 1252.6 | 1471.5 | -218.9 | ||||||||
| eV | -22698.780 | 0.155 | -22698.624 | -22708.938 | 0.182 | -22708.756 | 10.158 | -0.027 | 10.131 | 0.000 | 22708.938 |