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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 | -77.4637120 | -77.7697527 | 0.3060407 | 0.0000000 | 77.7697527 | ||||||
| cm-1 | 7734.9 | 8424.5 | -689.6 | ||||||||
| eV | -2107.895 | 0.959 | -2106.936 | -2116.223 | 1.045 | -2115.178 | 8.328 | -0.085 | 8.242 | 0.000 | 2116.223 |