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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 | -687.0217708 | -687.3994906 | 0.3777198 | 0.0000000 | 687.3994906 | ||||||
| cm-1 | 351.6 | 358.5 | -6.9 | ||||||||
| eV | -18694.813 | 0.044 | -18694.770 | -18705.091 | 0.044 | -18705.047 | 10.278 | -0.001 | 10.277 | 0.000 | 18705.091 |