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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 | -2150.0019690 | -2150.3989978 | 0.3970288 | 0.0000000 | 2150.3989978 | ||||||
| cm-1 | 449.5 | 514.3 | -64.9 | ||||||||
| eV | -58504.529 | 0.056 | -58504.473 | -58515.333 | 0.064 | -58515.269 | 10.804 | -0.008 | 10.796 | 0.000 | 58515.333 |