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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 | -0.6023017 | -1.1725109 | 0.5702092 | 0.0000000 | 1.1725109 | ||||||
| cm-1 | 1111.0 | 2111.4 | -1000.4 | ||||||||
| eV | -16.389 | 0.138 | -16.252 | -31.906 | 0.262 | -31.644 | 15.516 | -0.124 | 15.392 | 0.000 | 31.906 |