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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 | -435.7308140 | -436.1456264 | 0.4148124 | 0.0000000 | 436.1456264 | ||||||
| cm-1 | 682.9 | 628.3 | 54.5 | ||||||||
| eV | -11856.838 | 0.085 | -11856.754 | -11868.126 | 0.078 | -11868.048 | 11.288 | 0.007 | 11.294 | 0.000 | 11868.126 |