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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 | -153.2801677 | -153.6606175 | 0.3804498 | 0.0000000 | 153.6606175 | ||||||
| cm-1 | 11320.4 | 12211.0 | -890.5 | ||||||||
| eV | -4170.965 | 1.404 | -4169.562 | -4181.318 | 1.514 | -4179.804 | 10.353 | -0.110 | 10.242 | 0.000 | 4181.318 |