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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 | -299.0182872 | -299.3032850 | 0.2849979 | 0.0000000 | 299.3032850 | ||||||
| cm-1 | 373.6 | 320.5 | 53.1 | ||||||||
| eV | -8136.701 | 0.046 | -8136.655 | -8144.457 | 0.040 | -8144.417 | 7.755 | 0.007 | 7.762 | 0.000 | 8144.457 |