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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 | -188.8077994 | -189.1070798 | 0.2992805 | 0.0000000 | 189.1070798 | ||||||
| cm-1 | 4569.2 | 4486.0 | 83.3 | ||||||||
| eV | -5137.722 | 0.567 | -5137.155 | -5145.865 | 0.556 | -5145.309 | 8.144 | 0.010 | 8.154 | 0.000 | 5145.865 |